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*** HYDROLASE 02-JUN-04 1W08 ***elNémo ID: 2411130620521925215Job options:ID = 2411130620521925215 JOBID = HYDROLASE 02-JUN-04 1W08 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER HYDROLASE 02-JUN-04 1W08 REMARK 4 1W08 COMPLIES WITH FORMAT V. 3.30, REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE STRUCTURE OF T70N HUMAN LYSOZYME EXPDTA X-RAY DIFFRACTION REMARK 2 RESOLUTION. 2.50 ANGSTROMS REMARK 3 R VALUE : 0.177000 REMARK 3 FREE R VALUE : 0.268000 REMARK 200 TEMPERATURE (KELVIN) : 100.00 REMARK 200 PH : 4.50 REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 CRYST1 31.117 56.178 62.488 90.00 90.00 90.00 P 21 21 21 4 MODEL 1 ATOM 1 N LYS A 1 19.747 32.361 38.096 1.00 25.04 N1+ ATOM 2 CA LYS A 1 18.838 32.252 36.943 1.00 25.51 C ATOM 3 C LYS A 1 18.039 33.544 36.765 1.00 27.65 C ATOM 4 O LYS A 1 17.485 34.058 37.733 1.00 29.70 O ATOM 5 CB LYS A 1 17.894 31.044 37.133 1.00 27.48 C ATOM 6 CG LYS A 1 16.804 30.885 36.060 1.00 24.63 C ATOM 7 CD LYS A 1 15.922 29.654 36.287 1.00 20.32 C ATOM 8 CE LYS A 1 14.816 29.568 35.229 1.00 17.75 C ATOM 9 NZ LYS A 1 13.946 28.403 35.445 1.00 22.15 N1+ ATOM 10 H1 LYS A 1 20.165 31.456 38.285 1.00 0.00 H ATOM 11 H2 LYS A 1 20.461 33.047 37.910 1.00 0.00 H ATOM 12 H3 LYS A 1 19.210 32.642 38.909 1.00 0.00 H ATOM 13 HA LYS A 1 19.452 32.084 36.056 1.00 0.00 H ATOM 14 HB3 LYS A 1 17.416 31.106 38.112 1.00 0.00 H ATOM 15 HB2 LYS A 1 18.491 30.133 37.138 1.00 0.00 H ATOM 16 HG3 LYS A 1 17.264 30.833 35.072 1.00 0.00 H ATOM 17 HG2 LYS A 1 16.150 31.757 36.054 1.00 0.00 H ATOM 18 HD3 LYS A 1 15.477 29.703 37.282 1.00 0.00 H ATOM 19 HD2 LYS A 1 16.535 28.752 36.261 1.00 0.00 H ATOM 20 HE3 LYS A 1 15.249 29.498 34.230 1.00 0.00 H ATOM 21 HE2 LYS A 1 14.200 30.467 35.244 1.00 0.00 H ATOM 22 HZ1 LYS A 1 13.479 28.483 36.336 1.00 0.00 H ATOM 23 HZ2 LYS A 1 13.256 28.389 34.698 1.00 0.00 H ATOM 24 HZ3 LYS A 1 14.491 27.554 35.413 1.00 0.00 H ATOM 25 N VAL A 2 17.913 34.003 35.511 1.00 28.50 N ATOM 26 CA VAL A 2 16.936 35.000 35.082 1.00 30.21 C ATOM 27 C VAL A 2 15.820 34.219 34.373 1.00 28.35 C ATOM 28 O VAL A 2 16.070 33.557 33.364 1.00 29.66 O ATOM 29 CB VAL A 2 17.602 36.007 34.103 1.00 32.18 C ATOM 30 CG1 VAL A 2 16.607 37.069 33.591 1.00 33.56 C ATOM 31 CG2 VAL A 2 18.807 36.714 34.748 1.00 32.30 C ATOM 32 H VAL A 2 18.396 33.513 34.772 1.00 0.00 H ATOM 33 HA VAL A 2 16.521 35.546 35.928 1.00 0.00 H ATOM 34 HB VAL A 2 17.977 35.463 33.235 1.00 0.00 H ATOM 35 HG11 VAL A 2 17.103 37.793 32.944 1.00 0.00 H ATOM 36 HG12 VAL A 2 15.799 36.628 33.007 1.00 0.00 H ATOM 37 HG13 VAL A 2 16.155 37.620 34.417 1.00 0.00 H ATOM 38 HG21 VAL A 2 19.268 37.417 34.054 1.00 0.00 H ATOM 39 HG22 VAL A 2 18.499 37.275 35.629 1.00 0.00 H ATOM 40 HG23 VAL A 2 19.582 36.012 35.053 1.00 0.00 H ATOM 41 N LEU A 3 14.593 34.305 34.905 1.00 26.00 N ATOM 42 CA LEU A 3 13.403 33.703 34.312 1.00 23.41 C ATOM 43 C LEU A 3 12.865 34.607 33.192 1.00 24.23 C ATOM 44 O LEU A 3 12.985 35.833 33.260 1.00 26.76 O ATOM 45 CB LEU A 3 12.295 33.621 35.358 1.00 0.00 C ATOM 46 CG LEU A 3 12.308 32.546 36.472 1.00 0.00 C ATOM 47 CD1 LEU A 3 13.257 32.906 37.612 1.00 0.00 C ATOM 48 CD2 LEU A 3 10.897 32.303 37.007 1.00 0.00 C ATOM 49 H LEU A 3 14.464 34.873 35.732 1.00 0.00 H ATOM 50 HA LEU A 3 13.631 32.710 33.921 1.00 0.00 H ATOM 51 HB2 LEU A 3 12.254 34.556 35.918 1.00 0.00 H ATOM 52 HB3 LEU A 3 11.339 33.453 34.863 1.00 0.00 H ATOM 53 HG LEU A 3 12.562 31.578 36.040 1.00 0.00 H ATOM 54 HD11 LEU A 3 13.232 32.121 38.369 1.00 0.00 H ATOM 55 HD12 LEU A 3 14.272 33.003 37.225 1.00 0.00 H ATOM 56 HD13 LEU A 3 12.947 33.851 38.059 1.00 0.00 H ATOM 57 HD21 LEU A 3 10.930 31.544 37.788 1.00 0.00 H ATOM 58 HD22 LEU A 3 10.500 33.231 37.419 1.00 0.00 H ATOM 59 HD23 LEU A 3 10.254 31.962 36.196 1.00 0.00 H ATOM 60 N GLU A 4 12.171 33.993 32.221 1.00 27.31 N ATOM 61 CA GLU A 4 11.212 34.680 31.355 1.00 26.23 C ATOM 62 C GLU A 4 9.974 35.022 32.202 1.00 22.42 C ATOM 63 O GLU A 4 9.634 34.280 33.125 1.00 20.43 O ATOM 64 CB GLU A 4 10.776 33.760 30.195 1.00 30.60 C ATOM 65 CG GLU A 4 11.931 33.173 29.364 1.00 35.34 C ATOM 66 CD GLU A 4 11.401 32.365 28.180 1.00 38.00 C ATOM 67 OE1 GLU A 4 10.937 33.010 27.214 1.00 38.80 O ATOM 68 OE2 GLU A 4 11.452 31.118 28.266 1.00 37.96 O1- ATOM 69 H GLU A 4 12.134 32.980 32.233 1.00 0.00 H ATOM 70 HA GLU A 4 11.662 35.591 30.955 1.00 0.00 H ATOM 71 HB3 GLU A 4 10.113 34.324 29.536 1.00 0.00 H ATOM 72 HB2 GLU A 4 10.176 32.935 30.577 1.00 0.00 H ATOM 73 HG3 GLU A 4 12.562 32.531 29.979 1.00 0.00 H ATOM 74 HG2 GLU A 4 12.568 33.974 28.986 1.00 0.00 H ATOM 75 N ARG A 5 9.308 36.145 31.903 1.00 19.70 N ATOM 76 CA ARG A 5 8.144 36.663 32.629 1.00 24.24 C ATOM 77 C ARG A 5 7.039 35.616 32.871 1.00 24.56 C ATOM 78 O ARG A 5 6.651 35.380 34.014 1.00 26.02 O ATOM 79 CB ARG A 5 7.632 37.911 31.892 1.00 26.66 C ATOM 80 CG ARG A 5 6.395 38.577 32.518 1.00 26.62 C ATOM 81 CD ARG A 5 6.002 39.863 31.786 1.00 27.84 C ATOM 82 NE ARG A 5 5.573 39.578 30.411 1.00 27.08 N ATOM 83 CZ ARG A 5 4.340 39.209 30.028 1.00 27.36 C ATOM 84 NH1 ARG A 5 3.342 39.074 30.908 1.00 26.05 N ATOM 85 NH2 ARG A 5 4.100 38.962 28.735 1.00 27.22 N1+ ATOM 86 H ARG A 5 9.653 36.705 31.138 1.00 0.00 H ATOM 87 HA ARG A 5 8.502 36.979 33.611 1.00 0.00 H ATOM 88 HB3 ARG A 5 7.408 37.642 30.859 1.00 0.00 H ATOM 89 HB2 ARG A 5 8.439 38.642 31.839 1.00 0.00 H ATOM 90 HG3 ARG A 5 6.597 38.811 33.563 1.00 0.00 H ATOM 91 HG2 ARG A 5 5.543 37.896 32.520 1.00 0.00 H ATOM 92 HD3 ARG A 5 6.846 40.553 31.759 1.00 0.00 H ATOM 93 HD2 ARG A 5 5.206 40.376 32.318 1.00 0.00 H ATOM 94 HE ARG A 5 6.292 39.647 29.705 1.00 0.00 H ATOM 95 HH12 ARG A 5 2.424 38.795 30.587 1.00 0.00 H ATOM 96 HH11 ARG A 5 3.503 39.228 31.893 1.00 0.00 H ATOM 97 HH22 ARG A 5 3.169 38.684 28.448 1.00 0.00 H ATOM 98 HH21 ARG A 5 4.829 39.052 28.043 1.00 0.00 H ATOM 99 N CYS A 6 6.573 34.956 31.801 1.00 26.48 N ATOM 100 CA CYS A 6 5.504 33.965 31.877 1.00 28.20 C ATOM 101 C CYS A 6 5.981 32.585 32.361 1.00 25.73 C ATOM 102 O CYS A 6 5.157 31.825 32.865 1.00 29.19 O ATOM 103 CB CYS A 6 4.857 33.810 30.495 1.00 29.11 C ATOM 104 SG CYS A 6 3.994 35.280 29.880 1.00 31.87 S ATOM 105 H CYS A 6 6.946 35.181 30.890 1.00 0.00 H ATOM 106 HA CYS A 6 4.751 34.309 32.583 1.00 0.00 H ATOM 107 HB3 CYS A 6 4.114 33.014 30.529 1.00 0.00 H ATOM 108 HB2 CYS A 6 5.599 33.512 29.753 1.00 0.00 H ATOM 109 N GLU A 7 7.291 32.279 32.278 1.00 26.37 N ATOM 110 CA GLU A 7 7.903 31.098 32.894 1.00 24.94 C ATOM 111 C GLU A 7 7.819 31.202 34.425 1.00 26.96 C ATOM 112 O GLU A 7 7.358 30.257 35.061 1.00 26.30 O ATOM 113 CB GLU A 7 9.369 30.953 32.425 1.00 26.61 C ATOM 114 CG GLU A 7 10.163 29.770 33.034 1.00 27.99 C ATOM 115 CD GLU A 7 11.686 29.902 32.918 1.00 28.02 C ATOM 116 OE1 GLU A 7 12.176 31.024 32.664 1.00 28.20 O ATOM 117 OE2 GLU A 7 12.350 28.864 33.132 1.00 28.07 O1- ATOM 118 H GLU A 7 7.917 32.961 31.875 1.00 0.00 H ATOM 119 HA GLU A 7 7.349 30.213 32.575 1.00 0.00 H ATOM 120 HB3 GLU A 7 9.884 31.881 32.657 1.00 0.00 H ATOM 121 HB2 GLU A 7 9.392 30.862 31.338 1.00 0.00 H ATOM 122 HG3 GLU A 7 9.849 28.840 32.561 1.00 0.00 H ATOM 123 HG2 GLU A 7 9.957 29.650 34.096 1.00 0.00 H ATOM 124 N LEU A 8 8.194 32.368 34.991 1.00 26.16 N ATOM 125 CA LEU A 8 8.079 32.681 36.415 1.00 23.09 C ATOM 126 C LEU A 8 6.617 32.688 36.871 1.00 23.02 C ATOM 127 O LEU A 8 6.320 32.075 37.890 1.00 21.23 O ATOM 128 CB LEU A 8 8.737 34.044 36.731 1.00 22.28 C ATOM 129 CG LEU A 8 8.722 34.452 38.226 1.00 20.69 C ATOM 130 CD1 LEU A 8 9.470 33.450 39.117 1.00 20.17 C ATOM 131 CD2 LEU A 8 9.287 35.862 38.414 1.00 18.44 C ATOM 132 H LEU A 8 8.559 33.093 34.388 1.00 0.00 H ATOM 133 HA LEU A 8 8.610 31.895 36.953 1.00 0.00 H ATOM 134 HB3 LEU A 8 8.250 34.825 36.145 1.00 0.00 H ATOM 135 HB2 LEU A 8 9.768 34.031 36.390 1.00 0.00 H ATOM 136 HG LEU A 8 7.692 34.494 38.576 1.00 0.00 H ATOM 137 HD11 LEU A 8 9.491 33.788 40.154 1.00 0.00 H ATOM 138 HD12 LEU A 8 8.988 32.473 39.115 1.00 0.00 H ATOM 139 HD13 LEU A 8 10.500 33.315 38.787 1.00 0.00 H ATOM 140 HD21 LEU A 8 9.284 36.153 39.465 1.00 0.00 H ATOM 141 HD22 LEU A 8 10.311 35.932 38.049 1.00 0.00 H ATOM 142 HD23 LEU A 8 8.687 36.592 37.872 1.00 0.00 H ATOM 143 N ALA A 9 5.713 33.334 36.112 1.00 26.73 N ATOM 144 CA ALA A 9 4.283 33.422 36.417 1.00 24.18 C ATOM 145 C ALA A 9 3.631 32.038 36.558 1.00 23.88 C ATOM 146 O ALA A 9 2.917 31.796 37.527 1.00 22.62 O ATOM 147 CB ALA A 9 3.567 34.259 35.346 1.00 23.11 C ATOM 148 H ALA A 9 6.043 33.827 35.293 1.00 0.00 H ATOM 149 HA ALA A 9 4.196 33.942 37.371 1.00 0.00 H ATOM 150 HB1 ALA A 9 2.540 34.473 35.642 1.00 0.00 H ATOM 151 HB2 ALA A 9 4.063 35.217 35.190 1.00 0.00 H ATOM 152 HB3 ALA A 9 3.529 33.740 34.389 1.00 0.00 H ATOM 153 N ARG A 10 3.950 31.107 35.645 1.00 23.61 N ATOM 154 CA ARG A 10 3.489 29.722 35.680 1.00 25.94 C ATOM 155 C ARG A 10 4.202 28.864 36.744 1.00 26.40 C ATOM 156 O ARG A 10 3.604 27.898 37.210 1.00 28.07 O ATOM 157 CB ARG A 10 3.708 29.083 34.296 1.00 27.92 C ATOM 158 CG ARG A 10 2.712 29.604 33.248 1.00 30.37 C ATOM 159 CD ARG A 10 2.845 28.924 31.882 1.00 29.37 C ATOM 160 NE ARG A 10 4.010 29.424 31.138 1.00 28.12 N ATOM 161 CZ ARG A 10 3.993 30.240 30.071 1.00 29.04 C ATOM 162 NH1 ARG A 10 2.855 30.765 29.595 1.00 28.87 N ATOM 163 NH2 ARG A 10 5.148 30.537 29.463 1.00 29.08 N1+ ATOM 164 H ARG A 10 4.560 31.374 34.883 1.00 0.00 H ATOM 165 HA ARG A 10 2.421 29.712 35.903 1.00 0.00 H ATOM 166 HB3 ARG A 10 3.579 28.003 34.366 1.00 0.00 H ATOM 167 HB2 ARG A 10 4.734 29.247 33.961 1.00 0.00 H ATOM 168 HG3 ARG A 10 2.792 30.685 33.136 1.00 0.00 H ATOM 169 HG2 ARG A 10 1.703 29.412 33.610 1.00 0.00 H ATOM 170 HD3 ARG A 10 1.935 29.082 31.304 1.00 0.00 H ATOM 171 HD2 ARG A 10 2.938 27.845 32.002 1.00 0.00 H ATOM 172 HE ARG A 10 4.907 29.100 31.472 1.00 0.00 H ATOM 173 HH12 ARG A 10 2.861 31.352 28.774 1.00 0.00 H ATOM 174 HH11 ARG A 10 1.974 30.588 30.062 1.00 0.00 H ATOM 175 HH22 ARG A 10 5.160 31.126 28.643 1.00 0.00 H ATOM 176 HH21 ARG A 10 6.019 30.148 29.798 1.00 0.00 H ATOM 177 N THR A 11 5.436 29.205 37.160 1.00 25.62 N ATOM 178 CA THR A 11 6.165 28.490 38.217 1.00 25.48 C ATOM 179 C THR A 11 5.606 28.882 39.597 1.00 25.30 C ATOM 180 O THR A 11 5.397 28.000 40.426 1.00 24.32 O ATOM 181 CB THR A 11 7.681 28.814 38.146 1.00 24.27 C ATOM 182 OG1 THR A 11 8.195 28.351 36.914 1.00 24.00 O ATOM 183 CG2 THR A 11 8.525 28.107 39.223 1.00 24.88 C ATOM 184 H THR A 11 5.879 30.016 36.750 1.00 0.00 H ATOM 185 HA THR A 11 6.027 27.415 38.088 1.00 0.00 H ATOM 186 HB THR A 11 7.851 29.889 38.208 1.00 0.00 H ATOM 187 HG1 THR A 11 7.842 28.896 36.221 1.00 0.00 H ATOM 188 HG21 THR A 11 9.587 28.322 39.093 1.00 0.00 H ATOM 189 HG22 THR A 11 8.259 28.432 40.229 1.00 0.00 H ATOM 190 HG23 THR A 11 8.397 27.025 39.183 1.00 0.00 H ATOM 191 N LEU A 12 5.303 30.175 39.820 1.00 26.25 N ATOM 192 CA LEU A 12 4.636 30.690 41.019 1.00 26.11 C ATOM 193 C LEU A 12 3.190 30.170 41.121 1.00 26.21 C ATOM 194 O LEU A 12 2.732 29.877 42.225 1.00 24.74 O ATOM 195 CB LEU A 12 4.607 32.235 40.982 1.00 27.56 C ATOM 196 CG LEU A 12 5.967 32.964 41.040 1.00 29.35 C ATOM 197 CD1 LEU A 12 5.760 34.474 40.838 1.00 30.45 C ATOM 198 CD2 LEU A 12 6.748 32.697 42.331 1.00 29.88 C ATOM 199 H LEU A 12 5.513 30.845 39.091 1.00 0.00 H ATOM 200 HA LEU A 12 5.178 30.350 41.902 1.00 0.00 H ATOM 201 HB3 LEU A 12 3.986 32.610 41.796 1.00 0.00 H ATOM 202 HB2 LEU A 12 4.104 32.536 40.064 1.00 0.00 H ATOM 203 HG LEU A 12 6.598 32.609 40.231 1.00 0.00 H ATOM 204 HD11 LEU A 12 6.711 35.008 40.834 1.00 0.00 H ATOM 205 HD12 LEU A 12 5.266 34.677 39.887 1.00 0.00 H ATOM 206 HD13 LEU A 12 5.143 34.899 41.629 1.00 0.00 H ATOM 207 HD21 LEU A 12 7.704 33.221 42.324 1.00 0.00 H ATOM 208 HD22 LEU A 12 6.194 33.036 43.205 1.00 0.00 H ATOM 209 HD23 LEU A 12 6.968 31.637 42.454 1.00 0.00 H ATOM 210 N LYS A 13 2.498 30.009 39.976 1.00 27.52 N ATOM 211 CA LYS A 13 1.152 29.446 39.868 1.00 26.90 C ATOM 212 C LYS A 13 1.110 27.972 40.310 1.00 27.25 C ATOM 213 O LYS A 13 0.215 27.600 41.068 1.00 25.73 O ATOM 214 CB LYS A 13 0.648 29.594 38.410 1.00 27.48 C ATOM 215 CG LYS A 13 -0.801 29.136 38.146 1.00 28.20 C ATOM 216 CD LYS A 13 -1.856 29.982 38.881 1.00 28.79 C ATOM 217 CE LYS A 13 -3.265 29.376 38.851 1.00 28.85 C ATOM 218 NZ LYS A 13 -3.870 29.446 37.513 1.00 27.91 N1+ ATOM 219 H LYS A 13 2.942 30.296 39.114 1.00 0.00 H ATOM 220 HA LYS A 13 0.517 30.027 40.537 1.00 0.00 H ATOM 221 HB3 LYS A 13 1.301 29.028 37.750 1.00 0.00 H ATOM 222 HB2 LYS A 13 0.736 30.631 38.098 1.00 0.00 H ATOM 223 HG3 LYS A 13 -0.913 28.086 38.415 1.00 0.00 H ATOM 224 HG2 LYS A 13 -0.993 29.187 37.074 1.00 0.00 H ATOM 225 HD3 LYS A 13 -1.872 30.998 38.485 1.00 0.00 H ATOM 226 HD2 LYS A 13 -1.581 30.074 39.930 1.00 0.00 H ATOM 227 HE3 LYS A 13 -3.910 29.928 39.536 1.00 0.00 H ATOM 228 HE2 LYS A 13 -3.252 28.341 39.194 1.00 0.00 H ATOM 229 HZ1 LYS A 13 -4.819 29.104 37.547 1.00 0.00 H ATOM 230 HZ2 LYS A 13 -3.876 30.414 37.199 1.00 0.00 H ATOM 231 HZ3 LYS A 13 -3.330 28.893 36.863 1.00 0.00 H ATOM 232 N ARG A 14 2.097 27.157 39.889 1.00 28.04 N ATOM 233 CA ARG A 14 2.247 25.753 40.289 1.00 28.88 C ATOM 234 C ARG A 14 2.700 25.587 41.752 1.00 28.20 C ATOM 235 O ARG A 14 2.448 24.533 42.335 1.00 27.98 O ATOM 236 CB ARG A 14 3.286 25.060 39.383 1.00 30.94 C ATOM 237 CG ARG A 14 2.760 24.745 37.972 1.00 32.69 C ATOM 238 CD ARG A 14 3.728 23.885 37.147 1.00 32.66 C ATOM 239 NE ARG A 14 5.033 24.542 36.967 1.00 32.04 N ATOM 240 CZ ARG A 14 5.426 25.262 35.903 1.00 34.14 C ATOM 241 NH1 ARG A 14 4.606 25.487 34.867 1.00 35.58 N ATOM 242 NH2 ARG A 14 6.664 25.768 35.878 1.00 37.93 N1+ ATOM 243 H ARG A 14 2.797 27.538 39.266 1.00 0.00 H ATOM 244 HA ARG A 14 1.284 25.249 40.185 1.00 0.00 H ATOM 245 HB3 ARG A 14 3.594 24.115 39.835 1.00 0.00 H ATOM 246 HB2 ARG A 14 4.189 25.670 39.322 1.00 0.00 H ATOM 247 HG3 ARG A 14 2.516 25.659 37.434 1.00 0.00 H ATOM 248 HG2 ARG A 14 1.819 24.201 38.062 1.00 0.00 H ATOM 249 HD3 ARG A 14 3.290 23.634 36.181 1.00 0.00 H ATOM 250 HD2 ARG A 14 3.898 22.935 37.656 1.00 0.00 H ATOM 251 HE ARG A 14 5.682 24.429 37.732 1.00 0.00 H ATOM 252 HH12 ARG A 14 4.921 26.014 34.067 1.00 0.00 H ATOM 253 HH11 ARG A 14 3.667 25.117 34.882 1.00 0.00 H ATOM 254 HH22 ARG A 14 6.981 26.316 35.091 1.00 0.00 H ATOM 255 HH21 ARG A 14 7.296 25.624 36.653 1.00 0.00 H ATOM 256 N LEU A 15 3.332 26.612 42.349 1.00 29.16 N ATOM 257 CA LEU A 15 3.741 26.638 43.754 1.00 27.34 C ATOM 258 C LEU A 15 2.653 27.235 44.673 1.00 26.59 C ATOM 259 O LEU A 15 2.867 27.299 45.882 1.00 29.97 O ATOM 260 CB LEU A 15 5.034 27.477 43.886 1.00 26.12 C ATOM 261 CG LEU A 15 6.298 26.797 43.312 1.00 23.08 C ATOM 262 CD1 LEU A 15 7.444 27.807 43.158 1.00 23.95 C ATOM 263 CD2 LEU A 15 6.764 25.610 44.171 1.00 19.12 C ATOM 264 H LEU A 15 3.519 27.439 41.799 1.00 0.00 H ATOM 265 HA LEU A 15 3.926 25.626 44.112 1.00 0.00 H ATOM 266 HB3 LEU A 15 5.231 27.697 44.935 1.00 0.00 H ATOM 267 HB2 LEU A 15 4.882 28.443 43.404 1.00 0.00 H ATOM 268 HG LEU A 15 6.069 26.412 42.318 1.00 0.00 H ATOM 269 HD11 LEU A 15 8.299 27.357 42.652 1.00 0.00 H ATOM 270 HD12 LEU A 15 7.140 28.676 42.575 1.00 0.00 H ATOM 271 HD13 LEU A 15 7.788 28.156 44.131 1.00 0.00 H ATOM 272 HD21 LEU A 15 7.673 25.167 43.764 1.00 0.00 H ATOM 273 HD22 LEU A 15 6.979 25.921 45.194 1.00 0.00 H ATOM 274 HD23 LEU A 15 6.016 24.819 44.213 1.00 0.00 H ATOM 275 N GLY A 16 1.481 27.621 44.137 1.00 26.05 N ATOM 276 CA GLY A 16 0.304 28.019 44.907 1.00 26.51 C ATOM 277 C GLY A 16 0.354 29.442 45.474 1.00 26.13 C ATOM 278 O GLY A 16 -0.144 29.663 46.576 1.00 27.88 O ATOM 279 H GLY A 16 1.368 27.539 43.136 1.00 0.00 H ATOM 280 HA3 GLY A 16 0.135 27.307 45.717 1.00 0.00 H ATOM 281 HA2 GLY A 16 -0.564 27.948 44.251 1.00 0.00 H ATOM 282 N MET A 17 0.967 30.389 44.745 1.00 26.58 N ATOM 283 CA MET A 17 1.067 31.799 45.130 1.00 26.06 C ATOM 284 C MET A 17 -0.175 32.608 44.723 1.00 27.15 C ATOM 285 O MET A 17 -0.483 33.591 45.395 1.00 27.16 O ATOM 286 CB MET A 17 2.289 32.416 44.417 1.00 27.62 C ATOM 287 CG MET A 17 3.614 32.018 45.079 1.00 27.39 C ATOM 288 SD MET A 17 3.941 32.911 46.626 1.00 27.93 S ATOM 289 CE MET A 17 5.173 34.107 46.051 1.00 28.39 C ATOM 290 H MET A 17 1.385 30.118 43.864 1.00 0.00 H ATOM 291 HA MET A 17 1.188 31.888 46.211 1.00 0.00 H ATOM 292 HB3 MET A 17 2.235 33.504 44.411 1.00 0.00 H ATOM 293 HB2 MET A 17 2.288 32.126 43.368 1.00 0.00 H ATOM 294 HG3 MET A 17 4.438 32.198 44.391 1.00 0.00 H ATOM 295 HG2 MET A 17 3.627 30.948 45.283 1.00 0.00 H ATOM 296 HE1 MET A 17 5.431 34.796 46.854 1.00 0.00 H ATOM 297 HE2 MET A 17 6.083 33.599 45.742 1.00 0.00 H ATOM 298 HE3 MET A 17 4.791 34.676 45.204 1.00 0.00 H ATOM 299 N ASP A 18 -0.898 32.207 43.659 1.00 28.18 N ATOM 300 CA ASP A 18 -2.092 32.901 43.169 1.00 28.02 C ATOM 301 C ASP A 18 -3.245 32.777 44.180 1.00 27.58 C ATOM 302 O ASP A 18 -3.698 31.673 44.483 1.00 27.11 O ATOM 303 CB ASP A 18 -2.503 32.324 41.794 1.00 29.50 C ATOM 304 CG ASP A 18 -3.698 33.060 41.170 1.00 30.56 C ATOM 305 OD1 ASP A 18 -3.592 34.300 41.028 1.00 30.81 O ATOM 306 OD2 ASP A 18 -4.695 32.372 40.863 1.00 32.10 O1- ATOM 307 H ASP A 18 -0.609 31.376 43.167 1.00 0.00 H ATOM 308 HA ASP A 18 -1.832 33.955 43.042 1.00 0.00 H ATOM 309 HB3 ASP A 18 -2.747 31.265 41.888 1.00 0.00 H ATOM 310 HB2 ASP A 18 -1.667 32.378 41.098 1.00 0.00 H ATOM 311 N GLY A 19 -3.684 33.925 44.713 1.00 25.75 N ATOM 312 CA GLY A 19 -4.711 34.038 45.740 1.00 26.59 C ATOM 313 C GLY A 19 -4.237 33.692 47.158 1.00 24.82 C ATOM 314 O GLY A 19 -5.067 33.690 48.068 1.00 25.73 O ATOM 315 H GLY A 19 -3.227 34.782 44.433 1.00 0.00 H ATOM 316 HA3 GLY A 19 -5.565 33.410 45.482 1.00 0.00 H ATOM 317 HA2 GLY A 19 -5.070 35.068 45.744 1.00 0.00 H ATOM 318 N TYR A 20 -2.934 33.411 47.367 1.00 24.89 N ATOM 319 CA TYR A 20 -2.353 33.111 48.676 1.00 22.49 C ATOM 320 C TYR A 20 -2.345 34.391 49.522 1.00 19.12 C ATOM 321 O TYR A 20 -1.641 35.349 49.199 1.00 21.11 O ATOM 322 CB TYR A 20 -0.914 32.570 48.520 1.00 22.67 C ATOM 323 CG TYR A 20 -0.276 32.198 49.848 1.00 22.28 C ATOM 324 CD1 TYR A 20 -0.460 30.909 50.393 1.00 19.72 C ATOM 325 CD2 TYR A 20 0.428 33.174 50.583 1.00 21.79 C ATOM 326 CE1 TYR A 20 0.023 30.614 51.684 1.00 19.98 C ATOM 327 CE2 TYR A 20 0.888 32.887 51.878 1.00 20.84 C ATOM 328 CZ TYR A 20 0.678 31.612 52.431 1.00 20.43 C ATOM 329 OH TYR A 20 1.107 31.362 53.697 1.00 21.92 O ATOM 330 H TYR A 20 -2.304 33.450 46.577 1.00 0.00 H ATOM 331 HA TYR A 20 -2.962 32.345 49.162 1.00 0.00 H ATOM 332 HB3 TYR A 20 -0.276 33.300 48.018 1.00 0.00 H ATOM 333 HB2 TYR A 20 -0.928 31.692 47.879 1.00 0.00 H ATOM 334 HD1 TYR A 20 -0.998 30.156 49.836 1.00 0.00 H ATOM 335 HD2 TYR A 20 0.578 34.163 50.175 1.00 0.00 H ATOM 336 HE1 TYR A 20 -0.134 29.633 52.107 1.00 0.00 H ATOM 337 HE2 TYR A 20 1.390 33.651 52.449 1.00 0.00 H ATOM 338 HH TYR A 20 1.460 32.147 54.089 1.00 0.00 H ATOM 339 N ARG A 21 -3.184 34.400 50.572 1.00 23.74 N ATOM 340 CA ARG A 21 -3.460 35.533 51.460 1.00 25.02 C ATOM 341 C ARG A 21 -4.061 36.728 50.692 1.00 24.83 C ATOM 342 O ARG A 21 -3.780 37.884 51.001 1.00 26.19 O ATOM 343 CB ARG A 21 -2.238 35.887 52.351 1.00 26.09 C ATOM 344 CG ARG A 21 -1.840 34.770 53.339 1.00 26.77 C ATOM 345 CD ARG A 21 -2.989 34.355 54.277 1.00 29.73 C ATOM 346 NE ARG A 21 -2.521 33.632 55.466 1.00 32.62 N ATOM 347 CZ ARG A 21 -2.441 32.297 55.608 1.00 36.66 C ATOM 348 NH1 ARG A 21 -2.687 31.464 54.587 1.00 36.63 N ATOM 349 NH2 ARG A 21 -2.107 31.788 56.800 1.00 37.81 N1+ ATOM 350 H ARG A 21 -3.733 33.567 50.727 1.00 0.00 H ATOM 351 HA ARG A 21 -4.277 35.214 52.105 1.00 0.00 H ATOM 352 HB3 ARG A 21 -2.455 36.782 52.935 1.00 0.00 H ATOM 353 HB2 ARG A 21 -1.377 36.146 51.733 1.00 0.00 H ATOM 354 HG3 ARG A 21 -0.980 35.099 53.924 1.00 0.00 H ATOM 355 HG2 ARG A 21 -1.510 33.894 52.782 1.00 0.00 H ATOM 356 HD3 ARG A 21 -3.737 33.762 53.753 1.00 0.00 H ATOM 357 HD2 ARG A 21 -3.500 35.249 54.636 1.00 0.00 H ATOM 358 HE ARG A 21 -2.287 34.214 56.258 1.00 0.00 H ATOM 359 HH12 ARG A 21 -2.630 30.463 54.709 1.00 0.00 H ATOM 360 HH11 ARG A 21 -2.936 31.837 53.682 1.00 0.00 H ATOM 361 HH22 ARG A 21 -2.057 30.788 56.934 1.00 0.00 H ATOM 362 HH21 ARG A 21 -1.948 32.398 57.590 1.00 0.00 H ATOM 363 N GLY A 22 -4.880 36.422 49.669 1.00 21.52 N ATOM 364 CA GLY A 22 -5.578 37.364 48.803 1.00 20.83 C ATOM 365 C GLY A 22 -4.727 37.988 47.688 1.00 21.23 C ATOM 366 O GLY A 22 -5.268 38.758 46.896 1.00 17.88 O ATOM 367 H GLY A 22 -5.028 35.442 49.471 1.00 0.00 H ATOM 368 HA3 GLY A 22 -6.012 38.165 49.404 1.00 0.00 H ATOM 369 HA2 GLY A 22 -6.412 36.838 48.339 1.00 0.00 H ATOM 370 N ILE A 23 -3.420 37.684 47.616 1.00 22.88 N ATOM 371 CA ILE A 23 -2.491 38.289 46.664 1.00 24.36 C ATOM 372 C ILE A 23 -2.510 37.430 45.395 1.00 23.12 C ATOM 373 O ILE A 23 -2.047 36.288 45.398 1.00 21.56 O ATOM 374 CB ILE A 23 -1.063 38.322 47.273 1.00 25.45 C ATOM 375 CG1 ILE A 23 -1.029 39.131 48.589 1.00 27.18 C ATOM 376 CG2 ILE A 23 -0.022 38.914 46.295 1.00 28.50 C ATOM 377 CD1 ILE A 23 0.122 38.719 49.500 1.00 26.95 C ATOM 378 H ILE A 23 -3.037 37.033 48.287 1.00 0.00 H ATOM 379 HA ILE A 23 -2.794 39.312 46.430 1.00 0.00 H ATOM 380 HB ILE A 23 -0.766 37.296 47.500 1.00 0.00 H ATOM 381 HG13 ILE A 23 -1.946 39.011 49.165 1.00 0.00 H ATOM 382 HG12 ILE A 23 -0.967 40.197 48.368 1.00 0.00 H ATOM 383 HG21 ILE A 23 0.979 38.878 46.718 1.00 0.00 H ATOM 384 HG22 ILE A 23 0.028 38.374 45.352 1.00 0.00 H ATOM 385 HG23 ILE A 23 -0.245 39.955 46.066 1.00 0.00 H ATOM 386 HD11 ILE A 23 0.199 39.403 50.345 1.00 0.00 H ATOM 387 HD12 ILE A 23 -0.040 37.715 49.891 1.00 0.00 H ATOM 388 HD13 ILE A 23 1.071 38.722 48.969 1.00 0.00 H ATOM 389 N SER A 24 -3.031 38.014 44.307 1.00 21.28 N ATOM 390 CA SER A 24 -3.048 37.437 42.969 1.00 22.49 C ATOM 391 C SER A 24 -1.632 37.351 42.382 1.00 23.02 C ATOM 392 O SER A 24 -0.718 38.067 42.799 1.00 21.55 O ATOM 393 CB SER A 24 -3.966 38.297 42.070 1.00 19.14 C ATOM 394 OG SER A 24 -3.407 39.557 41.742 1.00 19.55 O ATOM 395 H SER A 24 -3.396 38.950 44.402 1.00 0.00 H ATOM 396 HA SER A 24 -3.467 36.431 43.037 1.00 0.00 H ATOM 397 HB3 SER A 24 -4.934 38.450 42.548 1.00 0.00 H ATOM 398 HB2 SER A 24 -4.165 37.766 41.138 1.00 0.00 H ATOM 399 HG SER A 24 -4.010 40.009 41.170 1.00 0.00 H ATOM 400 N LEU A 25 -1.476 36.480 41.380 1.00 23.20 N ATOM 401 CA LEU A 25 -0.243 36.260 40.633 1.00 23.60 C ATOM 402 C LEU A 25 0.306 37.528 39.954 1.00 24.66 C ATOM 403 O LEU A 25 1.519 37.696 39.881 1.00 27.15 O ATOM 404 CB LEU A 25 -0.530 35.146 39.619 1.00 24.37 C ATOM 405 CG LEU A 25 0.665 34.680 38.775 1.00 28.15 C ATOM 406 CD1 LEU A 25 1.829 34.165 39.633 1.00 27.61 C ATOM 407 CD2 LEU A 25 0.173 33.603 37.815 1.00 28.51 C ATOM 408 H LEU A 25 -2.271 35.905 41.123 1.00 0.00 H ATOM 409 HA LEU A 25 0.500 35.911 41.347 1.00 0.00 H ATOM 410 HB3 LEU A 25 -1.334 35.471 38.956 1.00 0.00 H ATOM 411 HB2 LEU A 25 -0.922 34.284 40.156 1.00 0.00 H ATOM 412 HG LEU A 25 1.030 35.512 38.173 1.00 0.00 H ATOM 413 HD11 LEU A 25 2.657 33.869 38.999 1.00 0.00 H ATOM 414 HD12 LEU A 25 2.219 34.929 40.304 1.00 0.00 H ATOM 415 HD13 LEU A 25 1.537 33.303 40.234 1.00 0.00 H ATOM 416 HD21 LEU A 25 0.932 33.336 37.084 1.00 0.00 H ATOM 417 HD22 LEU A 25 -0.122 32.703 38.352 1.00 0.00 H ATOM 418 HD23 LEU A 25 -0.703 33.958 37.276 1.00 0.00 H ATOM 419 N ALA A 26 -0.584 38.436 39.523 1.00 23.86 N ATOM 420 CA ALA A 26 -0.279 39.738 38.933 1.00 22.64 C ATOM 421 C ALA A 26 0.493 40.674 39.880 1.00 22.79 C ATOM 422 O ALA A 26 1.417 41.356 39.437 1.00 20.21 O ATOM 423 CB ALA A 26 -1.610 40.381 38.524 1.00 21.61 C ATOM 424 H ALA A 26 -1.561 38.216 39.648 1.00 0.00 H ATOM 425 HA ALA A 26 0.327 39.584 38.040 1.00 0.00 H ATOM 426 HB1 ALA A 26 -1.459 41.355 38.071 1.00 0.00 H ATOM 427 HB2 ALA A 26 -2.141 39.764 37.800 1.00 0.00 H ATOM 428 HB3 ALA A 26 -2.268 40.523 39.381 1.00 0.00 H ATOM 429 N ASN A 27 0.146 40.671 41.179 1.00 22.45 N ATOM 430 CA ASN A 27 0.806 41.452 42.230 1.00 23.37 C ATOM 431 C ASN A 27 2.158 40.856 42.653 1.00 21.70 C ATOM 432 O ASN A 27 3.069 41.621 42.971 1.00 18.07 O ATOM 433 CB ASN A 27 -0.108 41.522 43.473 1.00 20.65 C ATOM 434 CG ASN A 27 -1.247 42.525 43.301 1.00 16.96 C ATOM 435 OD1 ASN A 27 -1.007 43.729 43.273 1.00 17.83 O ATOM 436 ND2 ASN A 27 -2.484 42.044 43.175 1.00 18.51 N ATOM 437 H ASN A 27 -0.605 40.057 41.465 1.00 0.00 H ATOM 438 HA ASN A 27 0.997 42.461 41.857 1.00 0.00 H ATOM 439 HB3 ASN A 27 0.457 41.844 44.348 1.00 0.00 H ATOM 440 HB2 ASN A 27 -0.506 40.537 43.720 1.00 0.00 H ATOM 441 HD22 ASN A 27 -3.256 42.685 43.061 1.00 0.00 H ATOM 442 HD21 ASN A 27 -2.644 41.046 43.149 1.00 0.00 H ATOM 443 N TRP A 28 2.309 39.520 42.612 1.00 19.43 N ATOM 444 CA TRP A 28 3.578 38.826 42.855 1.00 20.05 C ATOM 445 C TRP A 28 4.575 39.043 41.710 1.00 20.40 C ATOM 446 O TRP A 28 5.770 39.187 41.959 1.00 19.43 O ATOM 447 CB TRP A 28 3.333 37.310 42.976 1.00 19.59 C ATOM 448 CG TRP A 28 2.707 36.842 44.249 1.00 20.64 C ATOM 449 CD1 TRP A 28 1.545 36.161 44.353 1.00 19.48 C ATOM 450 CD2 TRP A 28 3.224 36.964 45.608 1.00 20.57 C ATOM 451 NE1 TRP A 28 1.316 35.840 45.672 1.00 22.37 N ATOM 452 CE2 TRP A 28 2.333 36.280 46.489 1.00 21.70 C ATOM 453 CE3 TRP A 28 4.371 37.559 46.186 1.00 18.34 C ATOM 454 CZ2 TRP A 28 2.583 36.159 47.864 1.00 20.52 C ATOM 455 CZ3 TRP A 28 4.625 37.460 47.568 1.00 17.11 C ATOM 456 CH2 TRP A 28 3.742 36.746 48.401 1.00 18.44 C ATOM 457 H TRP A 28 1.512 38.955 42.354 1.00 0.00 H ATOM 458 HA TRP A 28 4.026 39.205 43.774 1.00 0.00 H ATOM 459 HB3 TRP A 28 4.285 36.780 42.915 1.00 0.00 H ATOM 460 HB2 TRP A 28 2.740 36.949 42.135 1.00 0.00 H ATOM 461 HD1 TRP A 28 0.911 35.887 43.525 1.00 0.00 H ATOM 462 HE1 TRP A 28 0.506 35.305 45.960 1.00 0.00 H ATOM 463 HE3 TRP A 28 5.073 38.084 45.556 1.00 0.00 H ATOM 464 HZ2 TRP A 28 1.895 35.616 48.494 1.00 0.00 H ATOM 465 HZ3 TRP A 28 5.510 37.917 47.986 1.00 0.00 H ATOM 466 HH2 TRP A 28 3.954 36.651 49.453 1.00 0.00 H ATOM 467 N MET A 29 4.075 39.089 40.466 1.00 21.40 N ATOM 468 CA MET A 29 4.854 39.313 39.256 1.00 22.10 C ATOM 469 C MET A 29 5.250 40.785 39.092 1.00 23.16 C ATOM 470 O MET A 29 6.333 41.055 38.578 1.00 25.23 O ATOM 471 CB MET A 29 4.011 38.874 38.041 1.00 22.73 C ATOM 472 CG MET A 29 4.007 37.351 37.825 1.00 22.71 C ATOM 473 SD MET A 29 5.633 36.591 37.572 1.00 26.37 S ATOM 474 CE MET A 29 6.207 37.515 36.130 1.00 25.33 C ATOM 475 H MET A 29 3.082 38.932 40.350 1.00 0.00 H ATOM 476 HA MET A 29 5.779 38.736 39.311 1.00 0.00 H ATOM 477 HB3 MET A 29 4.387 39.336 37.133 1.00 0.00 H ATOM 478 HB2 MET A 29 2.987 39.236 38.139 1.00 0.00 H ATOM 479 HG3 MET A 29 3.386 37.111 36.962 1.00 0.00 H ATOM 480 HG2 MET A 29 3.556 36.848 38.678 1.00 0.00 H ATOM 481 HE1 MET A 29 7.185 37.152 35.820 1.00 0.00 H ATOM 482 HE2 MET A 29 5.504 37.407 35.304 1.00 0.00 H ATOM 483 HE3 MET A 29 6.308 38.573 36.363 1.00 0.00 H ATOM 484 N CYS A 30 4.423 41.728 39.581 1.00 23.31 N ATOM 485 CA CYS A 30 4.768 43.143 39.681 1.00 21.53 C ATOM 486 C CYS A 30 5.882 43.345 40.719 1.00 21.43 C ATOM 487 O CYS A 30 6.882 43.985 40.404 1.00 17.87 O ATOM 488 CB CYS A 30 3.523 43.969 40.055 1.00 22.11 C ATOM 489 SG CYS A 30 3.820 45.759 40.060 1.00 21.22 S ATOM 490 H CYS A 30 3.535 41.435 39.966 1.00 0.00 H ATOM 491 HA CYS A 30 5.130 43.480 38.708 1.00 0.00 H ATOM 492 HB3 CYS A 30 3.126 43.671 41.026 1.00 0.00 H ATOM 493 HB2 CYS A 30 2.726 43.775 39.339 1.00 0.00 H ATOM 494 N LEU A 31 5.749 42.748 41.920 1.00 21.94 N ATOM 495 CA LEU A 31 6.770 42.755 42.969 1.00 23.20 C ATOM 496 C LEU A 31 8.115 42.209 42.460 1.00 21.69 C ATOM 497 O LEU A 31 9.122 42.901 42.572 1.00 21.67 O ATOM 498 CB LEU A 31 6.263 41.988 44.213 1.00 23.58 C ATOM 499 CG LEU A 31 7.269 41.899 45.386 1.00 24.46 C ATOM 500 CD1 LEU A 31 7.480 43.254 46.072 1.00 24.73 C ATOM 501 CD2 LEU A 31 6.843 40.839 46.408 1.00 25.40 C ATOM 502 H LEU A 31 4.899 42.233 42.109 1.00 0.00 H ATOM 503 HA LEU A 31 6.921 43.800 43.245 1.00 0.00 H ATOM 504 HB3 LEU A 31 5.986 40.978 43.910 1.00 0.00 H ATOM 505 HB2 LEU A 31 5.342 42.450 44.568 1.00 0.00 H ATOM 506 HG LEU A 31 8.236 41.566 45.011 1.00 0.00 H ATOM 507 HD11 LEU A 31 8.332 43.201 46.746 1.00 0.00 H ATOM 508 HD12 LEU A 31 7.689 44.056 45.365 1.00 0.00 H ATOM 509 HD13 LEU A 31 6.609 43.530 46.661 1.00 0.00 H ATOM 510 HD21 LEU A 31 7.615 40.696 47.164 1.00 0.00 H ATOM 511 HD22 LEU A 31 5.924 41.122 46.917 1.00 0.00 H ATOM 512 HD23 LEU A 31 6.673 39.874 45.933 1.00 0.00 H ATOM 513 N ALA A 32 8.116 41.009 41.854 1.00 18.33 N ATOM 514 CA ALA A 32 9.300 40.340 41.312 1.00 19.13 C ATOM 515 C ALA A 32 10.009 41.126 40.195 1.00 21.72 C ATOM 516 O ALA A 32 11.235 41.067 40.106 1.00 23.15 O ATOM 517 CB ALA A 32 8.899 38.952 40.790 1.00 18.53 C ATOM 518 H ALA A 32 7.239 40.507 41.795 1.00 0.00 H ATOM 519 HA ALA A 32 10.005 40.214 42.134 1.00 0.00 H ATOM 520 HB1 ALA A 32 9.768 38.409 40.416 1.00 0.00 H ATOM 521 HB2 ALA A 32 8.459 38.347 41.582 1.00 0.00 H ATOM 522 HB3 ALA A 32 8.172 39.020 39.980 1.00 0.00 H ATOM 523 N LYS A 33 9.258 41.889 39.381 1.00 23.13 N ATOM 524 CA LYS A 33 9.781 42.734 38.307 1.00 24.30 C ATOM 525 C LYS A 33 10.566 43.926 38.869 1.00 24.20 C ATOM 526 O LYS A 33 11.681 44.187 38.422 1.00 22.74 O ATOM 527 CB LYS A 33 8.604 43.245 37.439 1.00 26.25 C ATOM 528 CG LYS A 33 9.026 43.985 36.153 1.00 25.22 C ATOM 529 CD LYS A 33 9.120 45.516 36.300 1.00 25.84 C ATOM 530 CE LYS A 33 9.749 46.182 35.072 1.00 24.35 C ATOM 531 NZ LYS A 33 9.898 47.633 35.273 1.00 23.29 N1+ ATOM 532 H LYS A 33 8.257 41.892 39.523 1.00 0.00 H ATOM 533 HA LYS A 33 10.447 42.128 37.688 1.00 0.00 H ATOM 534 HB3 LYS A 33 7.918 43.865 38.016 1.00 0.00 H ATOM 535 HB2 LYS A 33 8.016 42.382 37.138 1.00 0.00 H ATOM 536 HG3 LYS A 33 8.298 43.767 35.371 1.00 0.00 H ATOM 537 HG2 LYS A 33 9.971 43.577 35.792 1.00 0.00 H ATOM 538 HD3 LYS A 33 9.711 45.789 37.171 1.00 0.00 H ATOM 539 HD2 LYS A 33 8.125 45.924 36.478 1.00 0.00 H ATOM 540 HE3 LYS A 33 9.136 46.006 34.187 1.00 0.00 H ATOM 541 HE2 LYS A 33 10.734 45.758 34.873 1.00 0.00 H ATOM 542 HZ1 LYS A 33 8.990 48.045 35.436 1.00 0.00 H ATOM 543 HZ2 LYS A 33 10.489 47.803 36.075 1.00 0.00 H ATOM 544 HZ3 LYS A 33 10.315 48.048 34.453 1.00 0.00 H ATOM 545 N TRP A 34 9.972 44.658 39.823 1.00 23.61 N ATOM 546 CA TRP A 34 10.519 45.902 40.357 1.00 23.94 C ATOM 547 C TRP A 34 11.597 45.684 41.424 1.00 23.79 C ATOM 548 O TRP A 34 12.436 46.565 41.610 1.00 23.23 O ATOM 549 CB TRP A 34 9.354 46.730 40.931 1.00 23.70 C ATOM 550 CG TRP A 34 8.562 47.395 39.847 1.00 24.61 C ATOM 551 CD1 TRP A 34 7.332 47.040 39.414 1.00 24.94 C ATOM 552 CD2 TRP A 34 8.959 48.530 39.023 1.00 25.13 C ATOM 553 NE1 TRP A 34 6.968 47.832 38.348 1.00 24.85 N ATOM 554 CE2 TRP A 34 7.918 48.792 38.081 1.00 23.90 C ATOM 555 CE3 TRP A 34 10.092 49.376 38.981 1.00 24.88 C ATOM 556 CZ2 TRP A 34 7.991 49.843 37.152 1.00 24.99 C ATOM 557 CZ3 TRP A 34 10.176 50.436 38.057 1.00 26.16 C ATOM 558 CH2 TRP A 34 9.128 50.671 37.144 1.00 25.51 C ATOM 559 H TRP A 34 9.056 44.374 40.148 1.00 0.00 H ATOM 560 HA TRP A 34 10.989 46.467 39.549 1.00 0.00 H ATOM 561 HB3 TRP A 34 9.723 47.518 41.588 1.00 0.00 H ATOM 562 HB2 TRP A 34 8.698 46.106 41.541 1.00 0.00 H ATOM 563 HD1 TRP A 34 6.735 46.248 39.825 1.00 0.00 H ATOM 564 HE1 TRP A 34 6.098 47.702 37.847 1.00 0.00 H ATOM 565 HE3 TRP A 34 10.900 49.211 39.678 1.00 0.00 H ATOM 566 HZ2 TRP A 34 7.182 50.015 36.457 1.00 0.00 H ATOM 567 HZ3 TRP A 34 11.047 51.074 38.051 1.00 0.00 H ATOM 568 HH2 TRP A 34 9.198 51.487 36.440 1.00 0.00 H ATOM 569 N GLU A 35 11.612 44.513 42.079 1.00 26.35 N ATOM 570 CA GLU A 35 12.614 44.144 43.071 1.00 25.46 C ATOM 571 C GLU A 35 13.838 43.475 42.414 1.00 24.69 C ATOM 572 O GLU A 35 14.951 43.723 42.872 1.00 28.49 O ATOM 573 CB GLU A 35 11.972 43.147 44.065 1.00 25.23 C ATOM 574 CG GLU A 35 10.913 43.759 45.016 1.00 25.97 C ATOM 575 CD GLU A 35 11.426 44.757 46.062 1.00 23.96 C ATOM 576 OE1 GLU A 35 12.647 45.020 46.099 1.00 21.29 O ATOM 577 OE2 GLU A 35 10.565 45.254 46.820 1.00 25.82 O1- ATOM 578 H GLU A 35 10.872 43.848 41.896 1.00 0.00 H ATOM 579 HA GLU A 35 12.964 45.032 43.599 1.00 0.00 H ATOM 580 HB3 GLU A 35 12.737 42.676 44.674 1.00 0.00 H ATOM 581 HB2 GLU A 35 11.519 42.321 43.514 1.00 0.00 H ATOM 582 HG3 GLU A 35 10.426 42.947 45.556 1.00 0.00 H ATOM 583 HG2 GLU A 35 10.134 44.262 44.445 1.00 0.00 H ATOM 584 N SER A 36 13.671 42.655 41.357 1.00 24.84 N ATOM 585 CA SER A 36 14.745 41.791 40.841 1.00 23.77 C ATOM 586 C SER A 36 14.914 41.750 39.317 1.00 20.88 C ATOM 587 O SER A 36 15.985 41.358 38.852 1.00 19.39 O ATOM 588 CB SER A 36 14.614 40.387 41.459 1.00 25.17 C ATOM 589 OG SER A 36 13.640 39.613 40.784 1.00 24.53 O ATOM 590 H SER A 36 12.737 42.508 41.003 1.00 0.00 H ATOM 591 HA SER A 36 15.703 42.180 41.189 1.00 0.00 H ATOM 592 HB3 SER A 36 14.382 40.438 42.523 1.00 0.00 H ATOM 593 HB2 SER A 36 15.567 39.868 41.374 1.00 0.00 H ATOM 594 HG SER A 36 12.788 39.995 40.946 1.00 0.00 H ATOM 595 N GLY A 37 13.870 42.078 38.540 1.00 22.30 N ATOM 596 CA GLY A 37 13.834 41.850 37.094 1.00 20.16 C ATOM 597 C GLY A 37 13.725 40.364 36.712 1.00 21.05 C ATOM 598 O GLY A 37 14.134 39.990 35.614 1.00 22.04 O ATOM 599 H GLY A 37 13.025 42.419 38.977 1.00 0.00 H ATOM 600 HA3 GLY A 37 14.717 42.287 36.625 1.00 0.00 H ATOM 601 HA2 GLY A 37 12.970 42.373 36.683 1.00 0.00 H ATOM 602 N TYR A 38 13.224 39.524 37.638 1.00 20.12 N ATOM 603 CA TYR A 38 13.000 38.078 37.521 1.00 17.68 C ATOM 604 C TYR A 38 14.274 37.249 37.766 1.00 19.46 C ATOM 605 O TYR A 38 14.335 36.081 37.381 1.00 24.11 O ATOM 606 CB TYR A 38 12.221 37.690 36.241 1.00 19.31 C ATOM 607 CG TYR A 38 10.989 38.526 35.936 1.00 19.00 C ATOM 608 CD1 TYR A 38 10.063 38.837 36.954 1.00 17.64 C ATOM 609 CD2 TYR A 38 10.773 39.011 34.629 1.00 21.07 C ATOM 610 CE1 TYR A 38 8.926 39.609 36.665 1.00 19.40 C ATOM 611 CE2 TYR A 38 9.638 39.795 34.344 1.00 18.99 C ATOM 612 CZ TYR A 38 8.707 40.085 35.359 1.00 19.90 C ATOM 613 OH TYR A 38 7.593 40.821 35.078 1.00 19.02 O ATOM 614 H TYR A 38 12.955 39.937 38.521 1.00 0.00 H ATOM 615 HA TYR A 38 12.361 37.834 38.370 1.00 0.00 H ATOM 616 HB3 TYR A 38 11.879 36.662 36.331 1.00 0.00 H ATOM 617 HB2 TYR A 38 12.889 37.703 35.379 1.00 0.00 H ATOM 618 HD1 TYR A 38 10.218 38.488 37.963 1.00 0.00 H ATOM 619 HD2 TYR A 38 11.478 38.787 33.842 1.00 0.00 H ATOM 620 HE1 TYR A 38 8.224 39.827 37.454 1.00 0.00 H ATOM 621 HE2 TYR A 38 9.480 40.167 33.342 1.00 0.00 H ATOM 622 HH TYR A 38 7.057 40.977 35.841 1.00 0.00 H ATOM 623 N ASN A 39 15.292 37.865 38.388 1.00 21.51 N ATOM 624 CA ASN A 39 16.615 37.308 38.638 1.00 20.17 C ATOM 625 C ASN A 39 16.647 36.748 40.067 1.00 20.94 C ATOM 626 O ASN A 39 16.397 37.473 41.030 1.00 20.44 O ATOM 627 CB ASN A 39 17.624 38.477 38.529 1.00 20.79 C ATOM 628 CG ASN A 39 19.090 38.049 38.372 1.00 21.19 C ATOM 629 OD1 ASN A 39 19.500 36.976 38.810 1.00 25.15 O ATOM 630 ND2 ASN A 39 19.886 38.885 37.705 1.00 23.26 N ATOM 631 H ASN A 39 15.140 38.817 38.690 1.00 0.00 H ATOM 632 HA ASN A 39 16.850 36.541 37.903 1.00 0.00 H ATOM 633 HB3 ASN A 39 17.542 39.157 39.375 1.00 0.00 H ATOM 634 HB2 ASN A 39 17.370 39.073 37.650 1.00 0.00 H ATOM 635 HD22 ASN A 39 20.857 38.648 37.567 1.00 0.00 H ATOM 636 HD21 ASN A 39 19.520 39.757 37.350 1.00 0.00 H ATOM 637 N THR A 40 17.016 35.466 40.205 1.00 20.82 N ATOM 638 CA THR A 40 17.193 34.804 41.495 1.00 21.32 C ATOM 639 C THR A 40 18.479 35.234 42.213 1.00 23.07 C ATOM 640 O THR A 40 18.525 35.105 43.426 1.00 23.94 O ATOM 641 CB THR A 40 17.205 33.267 41.328 1.00 18.21 C ATOM 642 OG1 THR A 40 18.341 32.773 40.641 1.00 22.92 O ATOM 643 CG2 THR A 40 15.939 32.714 40.675 1.00 19.56 C ATOM 644 H THR A 40 17.211 34.923 39.373 1.00 0.00 H ATOM 645 HA THR A 40 16.353 35.069 42.139 1.00 0.00 H ATOM 646 HB THR A 40 17.258 32.850 42.333 1.00 0.00 H ATOM 647 HG1 THR A 40 18.405 31.845 40.821 1.00 0.00 H ATOM 648 HG21 THR A 40 15.929 31.625 40.689 1.00 0.00 H ATOM 649 HG22 THR A 40 15.054 33.057 41.209 1.00 0.00 H ATOM 650 HG23 THR A 40 15.850 33.035 39.637 1.00 0.00 H ATOM 651 N ARG A 41 19.503 35.741 41.510 1.00 23.41 N ATOM 652 CA ARG A 41 20.798 36.107 42.090 1.00 25.27 C ATOM 653 C ARG A 41 20.927 37.621 42.341 1.00 23.07 C ATOM 654 O ARG A 41 22.030 38.092 42.620 1.00 23.24 O ATOM 655 CB ARG A 41 21.923 35.628 41.151 1.00 26.68 C ATOM 656 CG ARG A 41 21.949 34.097 41.000 1.00 29.95 C ATOM 657 CD ARG A 41 23.255 33.572 40.394 1.00 33.79 C ATOM 658 NE ARG A 41 23.341 33.857 38.955 1.00 35.95 N ATOM 659 CZ ARG A 41 24.436 33.690 38.194 1.00 39.85 C ATOM 660 NH1 ARG A 41 25.593 33.266 38.721 1.00 39.00 N ATOM 661 NH2 ARG A 41 24.370 33.952 36.883 1.00 42.95 N1+ ATOM 662 H ARG A 41 19.389 35.867 40.513 1.00 0.00 H ATOM 663 HA ARG A 41 20.938 35.614 43.053 1.00 0.00 H ATOM 664 HB3 ARG A 41 22.888 35.942 41.552 1.00 0.00 H ATOM 665 HB2 ARG A 41 21.834 36.098 40.170 1.00 0.00 H ATOM 666 HG3 ARG A 41 21.096 33.760 40.410 1.00 0.00 H ATOM 667 HG2 ARG A 41 21.829 33.642 41.982 1.00 0.00 H ATOM 668 HD3 ARG A 41 23.309 32.490 40.525 1.00 0.00 H ATOM 669 HD2 ARG A 41 24.113 33.997 40.914 1.00 0.00 H ATOM 670 HE ARG A 41 22.504 34.222 38.526 1.00 0.00 H ATOM 671 HH12 ARG A 41 26.412 33.145 38.142 1.00 0.00 H ATOM 672 HH11 ARG A 41 25.654 33.065 39.709 1.00 0.00 H ATOM 673 HH22 ARG A 41 25.184 33.831 36.298 1.00 0.00 H ATOM 674 HH21 ARG A 41 23.511 34.282 36.467 1.00 0.00 H ATOM 675 N ALA A 42 19.816 38.379 42.287 1.00 20.21 N ATOM 676 CA ALA A 42 19.763 39.805 42.604 1.00 22.27 C ATOM 677 C ALA A 42 20.085 40.060 44.086 1.00 22.66 C ATOM 678 O ALA A 42 19.609 39.339 44.965 1.00 16.81 O ATOM 679 CB ALA A 42 18.360 40.339 42.280 1.00 18.37 C ATOM 680 H ALA A 42 18.942 37.923 42.067 1.00 0.00 H ATOM 681 HA ALA A 42 20.491 40.326 41.979 1.00 0.00 H ATOM 682 HB1 ALA A 42 18.258 41.390 42.555 1.00 0.00 H ATOM 683 HB2 ALA A 42 18.151 40.268 41.214 1.00 0.00 H ATOM 684 HB3 ALA A 42 17.586 39.781 42.808 1.00 0.00 H ATOM 685 N THR A 43 20.894 41.096 44.340 1.00 25.66 N ATOM 686 CA THR A 43 21.324 41.558 45.658 1.00 28.58 C ATOM 687 C THR A 43 21.146 43.077 45.750 1.00 28.43 C ATOM 688 O THR A 43 21.233 43.776 44.738 1.00 29.14 O ATOM 689 CB THR A 43 22.774 41.104 45.976 1.00 30.32 C ATOM 690 OG1 THR A 43 23.718 41.746 45.136 1.00 33.78 O ATOM 691 CG2 THR A 43 22.997 39.586 45.921 1.00 32.51 C ATOM 692 H THR A 43 21.234 41.634 43.555 1.00 0.00 H ATOM 693 HA THR A 43 20.669 41.116 46.407 1.00 0.00 H ATOM 694 HB THR A 43 23.005 41.424 46.993 1.00 0.00 H ATOM 695 HG1 THR A 43 23.626 42.682 45.234 1.00 0.00 H ATOM 696 HG21 THR A 43 24.001 39.325 46.257 1.00 0.00 H ATOM 697 HG22 THR A 43 22.289 39.065 46.565 1.00 0.00 H ATOM 698 HG23 THR A 43 22.879 39.196 44.911 1.00 0.00 H ATOM 699 N ASN A 44 20.948 43.591 46.972 1.00 26.99 N ATOM 700 CA ASN A 44 20.931 45.021 47.253 1.00 25.86 C ATOM 701 C ASN A 44 21.356 45.255 48.700 1.00 24.79 C ATOM 702 O ASN A 44 20.667 44.816 49.616 1.00 20.44 O ATOM 703 CB ASN A 44 19.554 45.627 46.899 1.00 29.82 C ATOM 704 CG ASN A 44 19.639 47.132 46.659 1.00 31.00 C ATOM 705 OD1 ASN A 44 19.502 47.926 47.586 1.00 33.97 O ATOM 706 ND2 ASN A 44 19.870 47.527 45.405 1.00 32.54 N ATOM 707 H ASN A 44 20.839 42.962 47.756 1.00 0.00 H ATOM 708 HA ASN A 44 21.689 45.482 46.614 1.00 0.00 H ATOM 709 HB3 ASN A 44 18.822 45.432 47.683 1.00 0.00 H ATOM 710 HB2 ASN A 44 19.153 45.171 45.994 1.00 0.00 H ATOM 711 HD22 ASN A 44 19.926 48.513 45.198 1.00 0.00 H ATOM 712 HD21 ASN A 44 19.970 46.842 44.670 1.00 0.00 H ATOM 713 N TYR A 45 22.466 45.982 48.897 1.00 22.60 N ATOM 714 CA TYR A 45 22.926 46.453 50.198 1.00 23.84 C ATOM 715 C TYR A 45 22.172 47.749 50.531 1.00 26.67 C ATOM 716 O TYR A 45 22.232 48.719 49.774 1.00 29.66 O ATOM 717 CB TYR A 45 24.437 46.756 50.096 1.00 21.53 C ATOM 718 CG TYR A 45 25.072 47.326 51.354 1.00 23.60 C ATOM 719 CD1 TYR A 45 25.227 46.517 52.499 1.00 22.91 C ATOM 720 CD2 TYR A 45 25.504 48.670 51.385 1.00 23.97 C ATOM 721 CE1 TYR A 45 25.812 47.046 53.665 1.00 23.68 C ATOM 722 CE2 TYR A 45 26.093 49.197 52.550 1.00 25.18 C ATOM 723 CZ TYR A 45 26.242 48.387 53.693 1.00 25.04 C ATOM 724 OH TYR A 45 26.797 48.902 54.828 1.00 22.72 O ATOM 725 H TYR A 45 22.964 46.319 48.086 1.00 0.00 H ATOM 726 HA TYR A 45 22.752 45.695 50.965 1.00 0.00 H ATOM 727 HB3 TYR A 45 24.630 47.436 49.264 1.00 0.00 H ATOM 728 HB2 TYR A 45 24.968 45.836 49.848 1.00 0.00 H ATOM 729 HD1 TYR A 45 24.892 45.490 52.487 1.00 0.00 H ATOM 730 HD2 TYR A 45 25.383 49.301 50.517 1.00 0.00 H ATOM 731 HE1 TYR A 45 25.927 46.424 54.539 1.00 0.00 H ATOM 732 HE2 TYR A 45 26.420 50.226 52.564 1.00 0.00 H ATOM 733 HH TYR A 45 27.038 49.812 54.740 1.00 0.00 H ATOM 734 N ASN A 46 21.487 47.757 51.681 1.00 27.37 N ATOM 735 CA ASN A 46 20.829 48.925 52.255 1.00 28.96 C ATOM 736 C ASN A 46 21.824 49.559 53.228 1.00 28.72 C ATOM 737 O ASN A 46 22.040 49.054 54.330 1.00 27.84 O ATOM 738 CB ASN A 46 19.571 48.483 53.034 1.00 32.03 C ATOM 739 CG ASN A 46 18.496 47.932 52.099 1.00 33.41 C ATOM 740 OD1 ASN A 46 17.897 48.684 51.333 1.00 38.13 O ATOM 741 ND2 ASN A 46 18.275 46.619 52.135 1.00 35.78 N ATOM 742 H ASN A 46 21.498 46.919 52.250 1.00 0.00 H ATOM 743 HA ASN A 46 20.550 49.646 51.484 1.00 0.00 H ATOM 744 HB3 ASN A 46 19.142 49.328 53.573 1.00 0.00 H ATOM 745 HB2 ASN A 46 19.822 47.736 53.787 1.00 0.00 H ATOM 746 HD22 ASN A 46 17.607 46.213 51.485 1.00 0.00 H ATOM 747 HD21 ASN A 46 18.787 46.032 52.777 1.00 0.00 H ATOM 748 N ALA A 47 22.436 50.672 52.799 1.00 25.93 N ATOM 749 CA ALA A 47 23.466 51.408 53.531 1.00 25.37 C ATOM 750 C ALA A 47 22.957 52.109 54.803 1.00 24.93 C ATOM 751 O ALA A 47 23.771 52.475 55.650 1.00 24.97 O ATOM 752 CB ALA A 47 24.068 52.455 52.581 1.00 25.01 C ATOM 753 H ALA A 47 22.208 51.006 51.874 1.00 0.00 H ATOM 754 HA ALA A 47 24.243 50.707 53.835 1.00 0.00 H ATOM 755 HB1 ALA A 47 24.875 53.009 53.060 1.00 0.00 H ATOM 756 HB2 ALA A 47 24.485 51.981 51.692 1.00 0.00 H ATOM 757 HB3 ALA A 47 23.319 53.176 52.251 1.00 0.00 H ATOM 758 N GLY A 48 21.630 52.266 54.956 1.00 23.33 N ATOM 759 CA GLY A 48 20.989 52.907 56.100 1.00 24.05 C ATOM 760 C GLY A 48 21.015 52.083 57.396 1.00 23.54 C ATOM 761 O GLY A 48 20.997 52.675 58.474 1.00 24.69 O ATOM 762 H GLY A 48 21.027 51.922 54.222 1.00 0.00 H ATOM 763 HA3 GLY A 48 19.948 53.103 55.842 1.00 0.00 H ATOM 764 HA2 GLY A 48 21.452 53.879 56.279 1.00 0.00 H ATOM 765 N ASP A 49 21.083 50.744 57.300 1.00 24.08 N ATOM 766 CA ASP A 49 21.061 49.812 58.437 1.00 24.87 C ATOM 767 C ASP A 49 22.044 48.638 58.279 1.00 23.24 C ATOM 768 O ASP A 49 22.142 47.815 59.189 1.00 24.87 O ATOM 769 CB ASP A 49 19.607 49.374 58.755 1.00 24.74 C ATOM 770 CG ASP A 49 18.926 48.476 57.711 1.00 24.14 C ATOM 771 OD1 ASP A 49 19.471 48.334 56.594 1.00 24.17 O ATOM 772 OD2 ASP A 49 17.858 47.930 58.060 1.00 27.77 O1- ATOM 773 H ASP A 49 21.065 50.334 56.377 1.00 0.00 H ATOM 774 HA ASP A 49 21.427 50.344 59.316 1.00 0.00 H ATOM 775 HB3 ASP A 49 18.981 50.255 58.902 1.00 0.00 H ATOM 776 HB2 ASP A 49 19.595 48.841 59.707 1.00 0.00 H ATOM 777 N ARG A 50 22.747 48.550 57.135 1.00 25.16 N ATOM 778 CA ARG A 50 23.745 47.540 56.762 1.00 26.63 C ATOM 779 C ARG A 50 23.139 46.208 56.289 1.00 22.64 C ATOM 780 O ARG A 50 23.890 45.294 55.943 1.00 25.38 O ATOM 781 CB ARG A 50 24.836 47.329 57.835 1.00 27.59 C ATOM 782 CG ARG A 50 25.518 48.613 58.328 1.00 28.10 C ATOM 783 CD ARG A 50 26.341 48.344 59.589 1.00 29.76 C ATOM 784 NE ARG A 50 26.967 49.576 60.080 1.00 29.61 N ATOM 785 CZ ARG A 50 28.209 49.994 59.784 1.00 31.64 C ATOM 786 NH1 ARG A 50 29.002 49.303 58.952 1.00 32.81 N ATOM 787 NH2 ARG A 50 28.661 51.130 60.329 1.00 30.83 N1+ ATOM 788 H ARG A 50 22.562 49.251 56.431 1.00 0.00 H ATOM 789 HA ARG A 50 24.237 47.960 55.885 1.00 0.00 H ATOM 790 HB3 ARG A 50 25.608 46.664 57.443 1.00 0.00 H ATOM 791 HB2 ARG A 50 24.409 46.796 58.685 1.00 0.00 H ATOM 792 HG3 ARG A 50 24.785 49.386 58.557 1.00 0.00 H ATOM 793 HG2 ARG A 50 26.151 49.019 57.540 1.00 0.00 H ATOM 794 HD3 ARG A 50 27.090 47.572 59.415 1.00 0.00 H ATOM 795 HD2 ARG A 50 25.690 47.968 60.379 1.00 0.00 H ATOM 796 HE ARG A 50 26.394 50.151 60.681 1.00 0.00 H ATOM 797 HH12 ARG A 50 29.934 49.628 58.738 1.00 0.00 H ATOM 798 HH11 ARG A 50 28.666 48.450 58.529 1.00 0.00 H ATOM 799 HH22 ARG A 50 29.590 51.465 60.119 1.00 0.00 H ATOM 800 HH21 ARG A 50 28.075 51.665 60.955 1.00 0.00 H ATOM 801 N SER A 51 21.799 46.084 56.275 1.00 23.68 N ATOM 802 CA SER A 51 21.078 44.891 55.838 1.00 21.48 C ATOM 803 C SER A 51 21.224 44.685 54.323 1.00 20.31 C ATOM 804 O SER A 51 21.595 45.601 53.589 1.00 24.28 O ATOM 805 CB SER A 51 19.593 44.999 56.248 1.00 21.13 C ATOM 806 OG SER A 51 18.856 45.908 55.455 1.00 22.86 O ATOM 807 H SER A 51 21.243 46.885 56.546 1.00 0.00 H ATOM 808 HA SER A 51 21.512 44.030 56.351 1.00 0.00 H ATOM 809 HB3 SER A 51 19.500 45.285 57.296 1.00 0.00 H ATOM 810 HB2 SER A 51 19.121 44.020 56.152 1.00 0.00 H ATOM 811 HG SER A 51 19.076 46.792 55.735 1.00 0.00 H ATOM 812 N THR A 52 20.941 43.461 53.869 1.00 20.45 N ATOM 813 CA THR A 52 21.041 43.068 52.472 1.00 22.87 C ATOM 814 C THR A 52 19.742 42.356 52.092 1.00 24.48 C ATOM 815 O THR A 52 19.277 41.476 52.815 1.00 19.77 O ATOM 816 CB THR A 52 22.339 42.257 52.240 1.00 25.20 C ATOM 817 OG1 THR A 52 23.456 43.079 52.522 1.00 26.27 O ATOM 818 CG2 THR A 52 22.516 41.770 50.791 1.00 26.95 C ATOM 819 H THR A 52 20.626 42.755 54.522 1.00 0.00 H ATOM 820 HA THR A 52 21.102 43.961 51.854 1.00 0.00 H ATOM 821 HB THR A 52 22.373 41.409 52.924 1.00 0.00 H ATOM 822 HG1 THR A 52 23.291 43.520 53.343 1.00 0.00 H ATOM 823 HG21 THR A 52 23.452 41.222 50.673 1.00 0.00 H ATOM 824 HG22 THR A 52 21.712 41.101 50.484 1.00 0.00 H ATOM 825 HG23 THR A 52 22.529 42.606 50.091 1.00 0.00 H ATOM 826 N ASP A 53 19.167 42.755 50.953 1.00 24.89 N ATOM 827 CA ASP A 53 18.005 42.140 50.325 1.00 24.41 C ATOM 828 C ASP A 53 18.489 41.084 49.326 1.00 24.70 C ATOM 829 O ASP A 53 19.432 41.326 48.573 1.00 27.24 O ATOM 830 CB ASP A 53 17.226 43.211 49.547 1.00 24.69 C ATOM 831 CG ASP A 53 16.614 44.309 50.416 1.00 25.87 C ATOM 832 OD1 ASP A 53 16.070 43.969 51.489 1.00 24.87 O ATOM 833 OD2 ASP A 53 16.706 45.482 49.997 1.00 22.95 O1- ATOM 834 H ASP A 53 19.613 43.503 50.435 1.00 0.00 H ATOM 835 HA ASP A 53 17.359 41.685 51.072 1.00 0.00 H ATOM 836 HB3 ASP A 53 16.422 42.734 49.000 1.00 0.00 H ATOM 837 HB2 ASP A 53 17.879 43.680 48.812 1.00 0.00 H ATOM 838 N TYR A 54 17.849 39.907 49.355 1.00 25.13 N ATOM 839 CA TYR A 54 18.267 38.703 48.644 1.00 25.48 C ATOM 840 C TYR A 54 17.149 38.157 47.763 1.00 28.09 C ATOM 841 O TYR A 54 16.012 37.990 48.206 1.00 27.85 O ATOM 842 CB TYR A 54 18.678 37.624 49.663 1.00 25.27 C ATOM 843 CG TYR A 54 19.973 37.911 50.388 1.00 25.74 C ATOM 844 CD1 TYR A 54 19.965 38.669 51.574 1.00 24.78 C ATOM 845 CD2 TYR A 54 21.192 37.408 49.891 1.00 26.76 C ATOM 846 CE1 TYR A 54 21.173 38.919 52.252 1.00 26.10 C ATOM 847 CE2 TYR A 54 22.398 37.653 50.575 1.00 24.96 C ATOM 848 CZ TYR A 54 22.386 38.405 51.764 1.00 25.47 C ATOM 849 OH TYR A 54 23.540 38.636 52.453 1.00 24.85 O ATOM 850 H TYR A 54 17.089 39.801 50.015 1.00 0.00 H ATOM 851 HA TYR A 54 19.127 38.914 48.004 1.00 0.00 H ATOM 852 HB3 TYR A 54 18.794 36.663 49.159 1.00 0.00 H ATOM 853 HB2 TYR A 54 17.886 37.477 50.399 1.00 0.00 H ATOM 854 HD1 TYR A 54 19.036 39.052 51.967 1.00 0.00 H ATOM 855 HD2 TYR A 54 21.197 36.813 48.994 1.00 0.00 H ATOM 856 HE1 TYR A 54 21.184 39.513 53.147 1.00 0.00 H ATOM 857 HE2 TYR A 54 23.326 37.254 50.194 1.00 0.00 H ATOM 858 HH TYR A 54 23.382 38.991 53.320 1.00 0.00 H ATOM 859 N GLY A 55 17.520 37.782 46.536 1.00 28.03 N ATOM 860 CA GLY A 55 16.725 36.932 45.673 1.00 25.01 C ATOM 861 C GLY A 55 15.711 37.660 44.801 1.00 24.37 C ATOM 862 O GLY A 55 15.735 38.883 44.657 1.00 21.00 O ATOM 863 H GLY A 55 18.459 37.999 46.227 1.00 0.00 H ATOM 864 HA3 GLY A 55 16.218 36.167 46.264 1.00 0.00 H ATOM 865 HA2 GLY A 55 17.419 36.415 45.027 1.00 0.00 H ATOM 866 N ILE A 56 14.817 36.855 44.211 1.00 24.64 N ATOM 867 CA ILE A 56 13.791 37.254 43.250 1.00 22.81 C ATOM 868 C ILE A 56 12.683 38.146 43.857 1.00 21.42 C ATOM 869 O ILE A 56 11.986 38.833 43.113 1.00 19.28 O ATOM 870 CB ILE A 56 13.232 35.958 42.596 1.00 23.49 C ATOM 871 CG1 ILE A 56 12.614 36.226 41.208 1.00 26.33 C ATOM 872 CG2 ILE A 56 12.266 35.168 43.504 1.00 25.79 C ATOM 873 CD1 ILE A 56 12.531 34.972 40.329 1.00 25.19 C ATOM 874 H ILE A 56 14.890 35.866 44.401 1.00 0.00 H ATOM 875 HA ILE A 56 14.308 37.834 42.492 1.00 0.00 H ATOM 876 HB ILE A 56 14.090 35.309 42.416 1.00 0.00 H ATOM 877 HG13 ILE A 56 13.226 36.952 40.673 1.00 0.00 H ATOM 878 HG12 ILE A 56 11.627 36.679 41.309 1.00 0.00 H ATOM 879 HG21 ILE A 56 12.068 34.173 43.105 1.00 0.00 H ATOM 880 HG22 ILE A 56 12.677 35.034 44.504 1.00 0.00 H ATOM 881 HG23 ILE A 56 11.306 35.675 43.601 1.00 0.00 H ATOM 882 HD11 ILE A 56 12.126 35.215 39.348 1.00 0.00 H ATOM 883 HD12 ILE A 56 13.518 34.539 40.169 1.00 0.00 H ATOM 884 HD13 ILE A 56 11.893 34.208 40.771 1.00 0.00 H ATOM 885 N PHE A 57 12.544 38.162 45.194 1.00 22.64 N ATOM 886 CA PHE A 57 11.591 38.987 45.937 1.00 23.67 C ATOM 887 C PHE A 57 12.280 40.006 46.855 1.00 21.91 C ATOM 888 O PHE A 57 11.575 40.801 47.472 1.00 26.02 O ATOM 889 CB PHE A 57 10.636 38.073 46.737 1.00 23.39 C ATOM 890 CG PHE A 57 9.666 37.281 45.878 1.00 18.97 C ATOM 891 CD1 PHE A 57 8.751 37.960 45.046 1.00 20.45 C ATOM 892 CD2 PHE A 57 9.669 35.870 45.906 1.00 18.93 C ATOM 893 CE1 PHE A 57 7.849 37.237 44.245 1.00 19.23 C ATOM 894 CE2 PHE A 57 8.770 35.146 45.098 1.00 18.70 C ATOM 895 CZ PHE A 57 7.861 35.830 44.267 1.00 19.72 C ATOM 896 H PHE A 57 13.154 37.566 45.735 1.00 0.00 H ATOM 897 HA PHE A 57 10.997 39.594 45.252 1.00 0.00 H ATOM 898 HB3 PHE A 57 10.029 38.666 47.423 1.00 0.00 H ATOM 899 HB2 PHE A 57 11.213 37.392 47.364 1.00 0.00 H ATOM 900 HD1 PHE A 57 8.738 39.040 45.017 1.00 0.00 H ATOM 901 HD2 PHE A 57 10.362 35.337 46.541 1.00 0.00 H ATOM 902 HE1 PHE A 57 7.148 37.761 43.614 1.00 0.00 H ATOM 903 HE2 PHE A 57 8.777 34.067 45.119 1.00 0.00 H ATOM 904 HZ PHE A 57 7.167 35.278 43.650 1.00 0.00 H ATOM 905 N GLN A 58 13.626 40.007 46.947 1.00 24.23 N ATOM 906 CA GLN A 58 14.452 40.962 47.702 1.00 25.78 C ATOM 907 C GLN A 58 14.120 40.936 49.204 1.00 24.77 C ATOM 908 O GLN A 58 13.725 41.937 49.800 1.00 26.00 O ATOM 909 CB GLN A 58 14.395 42.370 47.066 1.00 22.86 C ATOM 910 CG GLN A 58 15.172 42.470 45.742 1.00 25.98 C ATOM 911 CD GLN A 58 16.690 42.354 45.892 1.00 24.97 C ATOM 912 OE1 GLN A 58 17.347 43.276 46.361 1.00 25.57 O ATOM 913 NE2 GLN A 58 17.259 41.227 45.471 1.00 21.32 N ATOM 914 H GLN A 58 14.128 39.330 46.390 1.00 0.00 H ATOM 915 HA GLN A 58 15.477 40.602 47.639 1.00 0.00 H ATOM 916 HB3 GLN A 58 14.767 43.138 47.741 1.00 0.00 H ATOM 917 HB2 GLN A 58 13.358 42.650 46.900 1.00 0.00 H ATOM 918 HG3 GLN A 58 14.971 43.456 45.327 1.00 0.00 H ATOM 919 HG2 GLN A 58 14.810 41.737 45.019 1.00 0.00 H ATOM 920 HE22 GLN A 58 18.259 41.107 45.556 1.00 0.00 H ATOM 921 HE21 GLN A 58 16.690 40.480 45.090 1.00 0.00 H ATOM 922 N ILE A 59 14.261 39.740 49.787 1.00 21.01 N ATOM 923 CA ILE A 59 13.985 39.400 51.176 1.00 22.49 C ATOM 924 C ILE A 59 15.139 39.931 52.043 1.00 19.44 C ATOM 925 O ILE A 59 16.291 39.544 51.846 1.00 21.11 O ATOM 926 CB ILE A 59 13.939 37.852 51.264 1.00 21.09 C ATOM 927 CG1 ILE A 59 12.924 37.174 50.310 1.00 23.26 C ATOM 928 CG2 ILE A 59 13.779 37.320 52.697 1.00 21.72 C ATOM 929 CD1 ILE A 59 11.472 37.629 50.491 1.00 23.94 C ATOM 930 H ILE A 59 14.609 38.988 49.206 1.00 0.00 H ATOM 931 HA ILE A 59 13.036 39.837 51.493 1.00 0.00 H ATOM 932 HB ILE A 59 14.916 37.519 50.926 1.00 0.00 H ATOM 933 HG13 ILE A 59 12.974 36.093 50.442 1.00 0.00 H ATOM 934 HG12 ILE A 59 13.217 37.348 49.274 1.00 0.00 H ATOM 935 HG21 ILE A 59 13.784 36.232 52.700 1.00 0.00 H ATOM 936 HG22 ILE A 59 14.606 37.622 53.337 1.00 0.00 H ATOM 937 HG23 ILE A 59 12.847 37.661 53.148 1.00 0.00 H ATOM 938 HD11 ILE A 59 10.807 37.079 49.824 1.00 0.00 H ATOM 939 HD12 ILE A 59 11.122 37.466 51.510 1.00 0.00 H ATOM 940 HD13 ILE A 59 11.372 38.689 50.260 1.00 0.00 H ATOM 941 N ASN A 60 14.815 40.805 53.005 1.00 16.73 N ATOM 942 CA ASN A 60 15.776 41.503 53.854 1.00 16.40 C ATOM 943 C ASN A 60 16.305 40.585 54.973 1.00 16.58 C ATOM 944 O ASN A 60 15.538 39.890 55.639 1.00 16.16 O ATOM 945 CB ASN A 60 15.043 42.712 54.470 1.00 15.90 C ATOM 946 CG ASN A 60 16.021 43.714 55.076 1.00 16.71 C ATOM 947 OD1 ASN A 60 16.327 43.643 56.262 1.00 19.22 O ATOM 948 ND2 ASN A 60 16.526 44.637 54.260 1.00 18.50 N ATOM 949 H ASN A 60 13.844 41.064 53.103 1.00 0.00 H ATOM 950 HA ASN A 60 16.602 41.852 53.233 1.00 0.00 H ATOM 951 HB3 ASN A 60 14.325 42.397 55.230 1.00 0.00 H ATOM 952 HB2 ASN A 60 14.462 43.229 53.704 1.00 0.00 H ATOM 953 HD22 ASN A 60 17.200 45.305 54.616 1.00 0.00 H ATOM 954 HD21 ASN A 60 16.279 44.626 53.274 1.00 0.00 H ATOM 955 N SER A 61 17.628 40.621 55.191 1.00 16.83 N ATOM 956 CA SER A 61 18.353 39.789 56.151 1.00 19.07 C ATOM 957 C SER A 61 18.292 40.260 57.610 1.00 18.75 C ATOM 958 O SER A 61 18.709 39.502 58.483 1.00 20.38 O ATOM 959 CB SER A 61 19.826 39.730 55.717 1.00 17.64 C ATOM 960 OG SER A 61 20.513 40.967 55.807 1.00 18.40 O ATOM 961 H SER A 61 18.192 41.211 54.593 1.00 0.00 H ATOM 962 HA SER A 61 17.942 38.779 56.114 1.00 0.00 H ATOM 963 HB3 SER A 61 19.866 39.355 54.701 1.00 0.00 H ATOM 964 HB2 SER A 61 20.364 39.002 56.328 1.00 0.00 H ATOM 965 HG SER A 61 21.434 40.785 55.674 1.00 0.00 H ATOM 966 N ARG A 62 17.761 41.460 57.904 1.00 19.02 N ATOM 967 CA ARG A 62 17.605 41.951 59.277 1.00 19.37 C ATOM 968 C ARG A 62 16.527 41.165 60.049 1.00 20.52 C ATOM 969 O ARG A 62 16.568 41.141 61.279 1.00 20.57 O ATOM 970 CB ARG A 62 17.242 43.452 59.247 1.00 18.04 C ATOM 971 CG ARG A 62 17.219 44.128 60.630 1.00 17.85 C ATOM 972 CD ARG A 62 17.068 45.649 60.547 1.00 16.83 C ATOM 973 NE ARG A 62 17.011 46.228 61.897 1.00 20.13 N ATOM 974 CZ ARG A 62 18.037 46.778 62.570 1.00 22.28 C ATOM 975 NH1 ARG A 62 19.262 46.871 62.031 1.00 22.26 N ATOM 976 NH2 ARG A 62 17.829 47.239 63.809 1.00 23.52 N1+ ATOM 977 H ARG A 62 17.427 42.048 57.151 1.00 0.00 H ATOM 978 HA ARG A 62 18.558 41.831 59.796 1.00 0.00 H ATOM 979 HB3 ARG A 62 16.267 43.591 58.781 1.00 0.00 H ATOM 980 HB2 ARG A 62 17.963 43.973 58.617 1.00 0.00 H ATOM 981 HG3 ARG A 62 18.141 43.890 61.162 1.00 0.00 H ATOM 982 HG2 ARG A 62 16.403 43.730 61.233 1.00 0.00 H ATOM 983 HD3 ARG A 62 16.145 45.903 60.026 1.00 0.00 H ATOM 984 HD2 ARG A 62 17.881 46.088 59.969 1.00 0.00 H ATOM 985 HE ARG A 62 16.111 46.177 62.351 1.00 0.00 H ATOM 986 HH12 ARG A 62 20.018 47.305 62.539 1.00 0.00 H ATOM 987 HH11 ARG A 62 19.416 46.557 61.084 1.00 0.00 H ATOM 988 HH22 ARG A 62 18.584 47.657 64.334 1.00 0.00 H ATOM 989 HH21 ARG A 62 16.914 47.176 64.231 1.00 0.00 H ATOM 990 N TYR A 63 15.590 40.512 59.339 1.00 20.91 N ATOM 991 CA TYR A 63 14.452 39.829 59.936 1.00 19.53 C ATOM 992 C TYR A 63 14.117 38.466 59.319 1.00 18.99 C ATOM 993 O TYR A 63 13.620 37.615 60.051 1.00 15.63 O ATOM 994 CB TYR A 63 13.248 40.789 60.030 1.00 19.80 C ATOM 995 CG TYR A 63 12.169 40.319 60.987 1.00 21.25 C ATOM 996 CD1 TYR A 63 12.252 40.647 62.355 1.00 21.84 C ATOM 997 CD2 TYR A 63 11.111 39.511 60.525 1.00 19.50 C ATOM 998 CE1 TYR A 63 11.291 40.154 63.257 1.00 19.83 C ATOM 999 CE2 TYR A 63 10.152 39.013 61.425 1.00 22.36 C ATOM 1000 CZ TYR A 63 10.246 39.330 62.794 1.00 21.79 C ATOM 1001 OH TYR A 63 9.327 38.839 63.674 1.00 24.92 O ATOM 1002 H TYR A 63 15.636 40.560 58.331 1.00 0.00 H ATOM 1003 HA TYR A 63 14.727 39.586 60.961 1.00 0.00 H ATOM 1004 HB3 TYR A 63 12.814 40.946 59.041 1.00 0.00 H ATOM 1005 HB2 TYR A 63 13.581 41.772 60.366 1.00 0.00 H ATOM 1006 HD1 TYR A 63 13.065 41.258 62.721 1.00 0.00 H ATOM 1007 HD2 TYR A 63 11.050 39.249 59.481 1.00 0.00 H ATOM 1008 HE1 TYR A 63 11.364 40.397 64.307 1.00 0.00 H ATOM 1009 HE2 TYR A 63 9.354 38.384 61.062 1.00 0.00 H ATOM 1010 HH TYR A 63 8.637 38.351 63.254 1.00 0.00 H ATOM 1011 N TRP A 64 14.346 38.243 58.013 1.00 24.09 N ATOM 1012 CA TRP A 64 13.769 37.102 57.288 1.00 23.30 C ATOM 1013 C TRP A 64 14.766 35.997 56.917 1.00 22.92 C ATOM 1014 O TRP A 64 14.333 34.865 56.729 1.00 24.64 O ATOM 1015 CB TRP A 64 13.089 37.618 56.011 1.00 23.82 C ATOM 1016 CG TRP A 64 11.964 38.576 56.243 1.00 23.54 C ATOM 1017 CD1 TRP A 64 11.941 39.879 55.884 1.00 22.68 C ATOM 1018 CD2 TRP A 64 10.701 38.321 56.922 1.00 23.22 C ATOM 1019 NE1 TRP A 64 10.756 40.449 56.304 1.00 23.69 N ATOM 1020 CE2 TRP A 64 9.956 39.539 56.965 1.00 23.55 C ATOM 1021 CE3 TRP A 64 10.111 37.183 57.520 1.00 24.31 C ATOM 1022 CZ2 TRP A 64 8.693 39.623 57.578 1.00 22.81 C ATOM 1023 CZ3 TRP A 64 8.862 37.263 58.164 1.00 23.27 C ATOM 1024 CH2 TRP A 64 8.152 38.476 58.188 1.00 22.28 C ATOM 1025 H TRP A 64 14.776 38.970 57.457 1.00 0.00 H ATOM 1026 HA TRP A 64 12.997 36.620 57.890 1.00 0.00 H ATOM 1027 HB3 TRP A 64 12.685 36.784 55.438 1.00 0.00 H ATOM 1028 HB2 TRP A 64 13.825 38.100 55.373 1.00 0.00 H ATOM 1029 HD1 TRP A 64 12.742 40.385 55.365 1.00 0.00 H ATOM 1030 HE1 TRP A 64 10.531 41.421 56.143 1.00 0.00 H ATOM 1031 HE3 TRP A 64 10.638 36.242 57.500 1.00 0.00 H ATOM 1032 HZ2 TRP A 64 8.148 40.555 57.594 1.00 0.00 H ATOM 1033 HZ3 TRP A 64 8.448 36.395 58.651 1.00 0.00 H ATOM 1034 HH2 TRP A 64 7.192 38.520 58.678 1.00 0.00 H ATOM 1035 N CYS A 65 16.074 36.281 56.847 1.00 23.22 N ATOM 1036 CA CYS A 65 17.119 35.298 56.546 1.00 25.75 C ATOM 1037 C CYS A 65 18.375 35.546 57.393 1.00 26.23 C ATOM 1038 O CYS A 65 18.513 36.619 57.978 1.00 30.12 O ATOM 1039 CB CYS A 65 17.320 35.146 55.025 1.00 25.98 C ATOM 1040 SG CYS A 65 18.038 36.564 54.149 1.00 26.45 S ATOM 1041 H CYS A 65 16.377 37.225 57.038 1.00 0.00 H ATOM 1042 HA CYS A 65 16.760 34.327 56.869 1.00 0.00 H ATOM 1043 HB3 CYS A 65 16.355 34.932 54.566 1.00 0.00 H ATOM 1044 HB2 CYS A 65 17.939 34.272 54.824 1.00 0.00 H ATOM 1045 N ASN A 66 19.283 34.557 57.471 1.00 26.45 N ATOM 1046 CA ASN A 66 20.568 34.667 58.171 1.00 23.74 C ATOM 1047 C ASN A 66 21.702 34.730 57.137 1.00 21.67 C ATOM 1048 O ASN A 66 21.827 33.844 56.293 1.00 20.44 O ATOM 1049 CB ASN A 66 20.754 33.422 59.074 1.00 25.69 C ATOM 1050 CG ASN A 66 21.974 33.476 60.003 1.00 28.06 C ATOM 1051 OD1 ASN A 66 22.491 34.547 60.316 1.00 26.65 O ATOM 1052 ND2 ASN A 66 22.456 32.309 60.432 1.00 29.61 N ATOM 1053 H ASN A 66 19.096 33.691 56.983 1.00 0.00 H ATOM 1054 HA ASN A 66 20.590 35.564 58.794 1.00 0.00 H ATOM 1055 HB3 ASN A 66 20.782 32.510 58.474 1.00 0.00 H ATOM 1056 HB2 ASN A 66 19.898 33.329 59.733 1.00 0.00 H ATOM 1057 HD22 ASN A 66 23.261 32.298 61.041 1.00 0.00 H ATOM 1058 HD21 ASN A 66 22.017 31.443 60.153 1.00 0.00 H ATOM 1059 N ASP A 67 22.557 35.757 57.260 1.00 21.86 N ATOM 1060 CA ASP A 67 23.806 35.927 56.509 1.00 24.78 C ATOM 1061 C ASP A 67 25.023 36.035 57.451 1.00 23.09 C ATOM 1062 O ASP A 67 26.146 36.188 56.972 1.00 24.62 O ATOM 1063 CB ASP A 67 23.690 37.104 55.501 1.00 25.58 C ATOM 1064 CG ASP A 67 23.440 38.513 56.064 1.00 25.08 C ATOM 1065 OD1 ASP A 67 23.653 38.730 57.277 1.00 22.24 O ATOM 1066 OD2 ASP A 67 23.059 39.374 55.240 1.00 26.18 O1- ATOM 1067 H ASP A 67 22.358 36.458 57.960 1.00 0.00 H ATOM 1068 HA ASP A 67 23.994 35.029 55.918 1.00 0.00 H ATOM 1069 HB3 ASP A 67 22.895 36.885 54.791 1.00 0.00 H ATOM 1070 HB2 ASP A 67 24.601 37.155 54.904 1.00 0.00 H ATOM 1071 N GLY A 68 24.807 35.944 58.776 1.00 22.92 N ATOM 1072 CA GLY A 68 25.828 35.946 59.819 1.00 23.12 C ATOM 1073 C GLY A 68 26.482 37.303 60.122 1.00 24.85 C ATOM 1074 O GLY A 68 27.382 37.342 60.960 1.00 27.40 O ATOM 1075 H GLY A 68 23.856 35.804 59.085 1.00 0.00 H ATOM 1076 HA3 GLY A 68 26.610 35.230 59.560 1.00 0.00 H ATOM 1077 HA2 GLY A 68 25.368 35.579 60.737 1.00 0.00 H ATOM 1078 N LYS A 69 26.069 38.396 59.452 1.00 26.92 N ATOM 1079 CA LYS A 69 26.701 39.711 59.570 1.00 27.12 C ATOM 1080 C LYS A 69 26.229 40.450 60.832 1.00 23.31 C ATOM 1081 O LYS A 69 27.048 40.706 61.713 1.00 28.49 O ATOM 1082 CB LYS A 69 26.404 40.556 58.311 1.00 29.20 C ATOM 1083 CG LYS A 69 27.168 40.035 57.078 1.00 31.61 C ATOM 1084 CD LYS A 69 27.185 41.001 55.882 1.00 34.02 C ATOM 1085 CE LYS A 69 25.891 40.994 55.058 1.00 31.11 C ATOM 1086 NZ LYS A 69 25.991 41.899 53.901 1.00 35.15 N1+ ATOM 1087 H LYS A 69 25.320 38.297 58.779 1.00 0.00 H ATOM 1088 HA LYS A 69 27.783 39.584 59.652 1.00 0.00 H ATOM 1089 HB3 LYS A 69 26.713 41.586 58.494 1.00 0.00 H ATOM 1090 HB2 LYS A 69 25.334 40.595 58.105 1.00 0.00 H ATOM 1091 HG3 LYS A 69 26.778 39.063 56.773 1.00 0.00 H ATOM 1092 HG2 LYS A 69 28.205 39.859 57.368 1.00 0.00 H ATOM 1093 HD3 LYS A 69 28.008 40.713 55.226 1.00 0.00 H ATOM 1094 HD2 LYS A 69 27.413 42.012 56.223 1.00 0.00 H ATOM 1095 HE3 LYS A 69 25.045 41.301 55.674 1.00 0.00 H ATOM 1096 HE2 LYS A 69 25.681 39.989 54.693 1.00 0.00 H ATOM 1097 HZ1 LYS A 69 26.735 41.591 53.292 1.00 0.00 H ATOM 1098 HZ2 LYS A 69 25.118 41.896 53.390 1.00 0.00 H ATOM 1099 HZ3 LYS A 69 26.182 42.838 54.221 1.00 0.00 H ATOM 1100 N ASN A 70 24.926 40.764 60.938 1.00 21.67 N ATOM 1101 CA ASN A 70 24.334 41.412 62.110 1.00 21.71 C ATOM 1102 C ASN A 70 24.018 40.299 63.139 1.00 23.24 C ATOM 1103 O ASN A 70 23.211 39.419 62.832 1.00 25.18 O ATOM 1104 CB ASN A 70 23.017 42.103 61.670 1.00 21.95 C ATOM 1105 CG ASN A 70 22.424 43.078 62.702 1.00 21.67 C ATOM 1106 OD1 ASN A 70 22.599 42.925 63.909 1.00 26.25 O ATOM 1107 ND2 ASN A 70 21.730 44.113 62.227 1.00 23.79 N ATOM 1108 H ASN A 70 24.304 40.493 60.190 1.00 0.00 H ATOM 1109 HA ASN A 70 25.023 42.170 62.483 1.00 0.00 H ATOM 1110 HB3 ASN A 70 22.258 41.371 61.396 1.00 0.00 H ATOM 1111 HB2 ASN A 70 23.214 42.672 60.760 1.00 0.00 H ATOM 1112 HD22 ASN A 70 21.327 44.777 62.872 1.00 0.00 H ATOM 1113 HD21 ASN A 70 21.607 44.226 61.231 1.00 0.00 H ATOM 1114 N PRO A 71 24.603 40.334 64.360 1.00 22.99 N ATOM 1115 CA PRO A 71 24.335 39.341 65.413 1.00 21.40 C ATOM 1116 C PRO A 71 22.988 39.558 66.140 1.00 26.63 C ATOM 1117 O PRO A 71 22.604 38.723 66.957 1.00 29.31 O ATOM 1118 CB PRO A 71 25.519 39.497 66.381 1.00 19.43 C ATOM 1119 CG PRO A 71 25.904 40.963 66.268 1.00 21.52 C ATOM 1120 CD PRO A 71 25.593 41.316 64.814 1.00 19.37 C ATOM 1121 HA PRO A 71 24.337 38.332 64.998 1.00 0.00 H ATOM 1122 HB3 PRO A 71 26.348 38.877 66.039 1.00 0.00 H ATOM 1123 HB2 PRO A 71 25.296 39.201 67.407 1.00 0.00 H ATOM 1124 HG3 PRO A 71 26.943 41.152 66.537 1.00 0.00 H ATOM 1125 HG2 PRO A 71 25.275 41.557 66.933 1.00 0.00 H ATOM 1126 HD2 PRO A 71 25.224 42.339 64.738 1.00 0.00 H ATOM 1127 HD3 PRO A 71 26.496 41.230 64.210 1.00 0.00 H ATOM 1128 N GLY A 72 22.276 40.656 65.831 1.00 30.05 N ATOM 1129 CA GLY A 72 20.957 41.017 66.339 1.00 28.59 C ATOM 1130 C GLY A 72 19.812 40.802 65.336 1.00 29.31 C ATOM 1131 O GLY A 72 18.681 41.174 65.647 1.00 31.16 O ATOM 1132 H GLY A 72 22.676 41.295 65.157 1.00 0.00 H ATOM 1133 HA3 GLY A 72 20.982 42.074 66.606 1.00 0.00 H ATOM 1134 HA2 GLY A 72 20.727 40.474 67.256 1.00 0.00 H ATOM 1135 N ALA A 73 20.077 40.215 64.152 1.00 27.89 N ATOM 1136 CA ALA A 73 19.065 39.847 63.153 1.00 27.21 C ATOM 1137 C ALA A 73 18.375 38.520 63.525 1.00 25.33 C ATOM 1138 O ALA A 73 18.934 37.724 64.282 1.00 25.76 O ATOM 1139 CB ALA A 73 19.757 39.669 61.794 1.00 26.63 C ATOM 1140 H ALA A 73 21.028 39.928 63.969 1.00 0.00 H ATOM 1141 HA ALA A 73 18.318 40.637 63.085 1.00 0.00 H ATOM 1142 HB1 ALA A 73 19.060 39.295 61.045 1.00 0.00 H ATOM 1143 HB2 ALA A 73 20.137 40.621 61.428 1.00 0.00 H ATOM 1144 HB3 ALA A 73 20.591 38.968 61.849 1.00 0.00 H ATOM 1145 N VAL A 74 17.147 38.296 63.018 1.00 23.86 N ATOM 1146 CA VAL A 74 16.236 37.261 63.528 1.00 21.87 C ATOM 1147 C VAL A 74 16.216 35.968 62.687 1.00 19.21 C ATOM 1148 O VAL A 74 16.287 34.899 63.292 1.00 24.14 O ATOM 1149 CB VAL A 74 14.814 37.874 63.695 1.00 21.81 C ATOM 1150 CG1 VAL A 74 13.684 36.851 63.937 1.00 20.60 C ATOM 1151 CG2 VAL A 74 14.812 38.909 64.837 1.00 22.42 C ATOM 1152 H VAL A 74 16.762 38.984 62.388 1.00 0.00 H ATOM 1153 HA VAL A 74 16.559 36.958 64.526 1.00 0.00 H ATOM 1154 HB VAL A 74 14.556 38.398 62.778 1.00 0.00 H ATOM 1155 HG11 VAL A 74 12.736 37.355 64.129 1.00 0.00 H ATOM 1156 HG12 VAL A 74 13.519 36.209 63.071 1.00 0.00 H ATOM 1157 HG13 VAL A 74 13.900 36.213 64.795 1.00 0.00 H ATOM 1158 HG21 VAL A 74 13.833 39.379 64.939 1.00 0.00 H ATOM 1159 HG22 VAL A 74 15.057 38.446 65.793 1.00 0.00 H ATOM 1160 HG23 VAL A 74 15.532 39.708 64.660 1.00 0.00 H ATOM 1161 N ASN A 75 16.063 36.026 61.348 1.00 18.40 N ATOM 1162 CA ASN A 75 15.916 34.859 60.454 1.00 20.91 C ATOM 1163 C ASN A 75 14.568 34.141 60.698 1.00 19.09 C ATOM 1164 O ASN A 75 14.536 32.988 61.127 1.00 18.71 O ATOM 1165 CB ASN A 75 17.166 33.930 60.518 1.00 18.39 C ATOM 1166 CG ASN A 75 17.135 32.712 59.581 1.00 19.36 C ATOM 1167 OD1 ASN A 75 16.437 32.699 58.572 1.00 18.35 O ATOM 1168 ND2 ASN A 75 17.849 31.647 59.953 1.00 18.36 N ATOM 1169 H ASN A 75 15.998 36.938 60.920 1.00 0.00 H ATOM 1170 HA ASN A 75 15.867 35.268 59.448 1.00 0.00 H ATOM 1171 HB3 ASN A 75 17.324 33.552 61.527 1.00 0.00 H ATOM 1172 HB2 ASN A 75 18.049 34.521 60.277 1.00 0.00 H ATOM 1173 HD22 ASN A 75 17.851 30.819 59.375 1.00 0.00 H ATOM 1174 HD21 ASN A 75 18.377 31.669 60.813 1.00 0.00 H ATOM 1175 N ALA A 76 13.449 34.831 60.442 1.00 20.55 N ATOM 1176 CA ALA A 76 12.094 34.344 60.698 1.00 20.59 C ATOM 1177 C ALA A 76 11.609 33.275 59.697 1.00 19.85 C ATOM 1178 O ALA A 76 10.686 32.534 60.037 1.00 17.43 O ATOM 1179 CB ALA A 76 11.137 35.544 60.661 1.00 22.01 C ATOM 1180 H ALA A 76 13.540 35.790 60.128 1.00 0.00 H ATOM 1181 HA ALA A 76 12.061 33.907 61.698 1.00 0.00 H ATOM 1182 HB1 ALA A 76 10.096 35.241 60.778 1.00 0.00 H ATOM 1183 HB2 ALA A 76 11.365 36.243 61.466 1.00 0.00 H ATOM 1184 HB3 ALA A 76 11.226 36.091 59.725 1.00 0.00 H ATOM 1185 N CYS A 77 12.228 33.150 58.507 1.00 20.24 N ATOM 1186 CA CYS A 77 11.929 32.081 57.541 1.00 21.22 C ATOM 1187 C CYS A 77 12.775 30.818 57.795 1.00 22.53 C ATOM 1188 O CYS A 77 12.447 29.763 57.254 1.00 20.74 O ATOM 1189 CB CYS A 77 12.243 32.560 56.112 1.00 22.18 C ATOM 1190 SG CYS A 77 11.267 33.988 55.574 1.00 24.43 S ATOM 1191 H CYS A 77 12.975 33.791 58.275 1.00 0.00 H ATOM 1192 HA CYS A 77 10.874 31.807 57.592 1.00 0.00 H ATOM 1193 HB3 CYS A 77 12.029 31.758 55.404 1.00 0.00 H ATOM 1194 HB2 CYS A 77 13.303 32.775 55.993 1.00 0.00 H ATOM 1195 N HIS A 78 13.854 30.922 58.591 1.00 26.12 N ATOM 1196 CA HIS A 78 14.742 29.841 59.029 1.00 29.54 C ATOM 1197 C HIS A 78 15.467 29.147 57.869 1.00 29.69 C ATOM 1198 O HIS A 78 15.366 27.938 57.662 1.00 29.85 O ATOM 1199 CB HIS A 78 14.094 28.911 60.078 1.00 30.70 C ATOM 1200 CG AHIS A 78 14.404 29.397 61.472 0.50 33.99 C ATOM 1201 CG BHIS A 78 12.892 28.408 59.333 0.50 30.79 C ATOM 1202 ND1AHIS A 78 13.534 30.162 62.229 0.50 36.38 N ATOM 1203 ND1BHIS A 78 12.897 27.115 58.857 0.50 27.96 N ATOM 1204 CD2AHIS A 78 15.560 29.303 62.217 0.50 34.01 C ATOM 1205 CD2BHIS A 78 11.686 28.918 58.975 0.50 31.08 C ATOM 1206 CE1AHIS A 78 14.180 30.493 63.351 0.50 33.57 C ATOM 1207 CE1BHIS A 78 11.743 26.847 58.272 0.50 28.03 C ATOM 1208 NE2AHIS A 78 15.414 30.005 63.414 0.50 32.88 N ATOM 1209 NE2BHIS A 78 10.987 27.927 58.325 0.50 29.68 N ATOM 1210 H HIS A 78 14.053 31.834 58.978 1.00 0.00 H ATOM 1211 HA HIS A 78 15.552 30.351 59.545 1.00 0.00 H ATOM 1212 HB3 HIS A 78 14.502 27.902 60.017 1.00 0.00 H ATOM 1213 HB2 HIS A 78 13.018 28.813 59.935 1.00 0.00 H ATOM 1214 HD1AHIS A 78 12.604 30.451 61.966 0.50 0.00 H ATOM 1215 HD1BHIS A 78 13.712 26.533 58.985 0.50 0.00 H ATOM 1216 HD2AHIS A 78 16.492 28.817 61.970 0.50 0.00 H ATOM 1217 HD2BHIS A 78 11.439 29.941 59.218 0.50 0.00 H ATOM 1218 HE1AHIS A 78 13.746 31.107 64.127 0.50 0.00 H ATOM 1219 HE1BHIS A 78 11.564 25.867 57.855 0.50 0.00 H ATOM 1220 N LEU A 79 16.205 29.968 57.116 1.00 27.85 N ATOM 1221 CA LEU A 79 17.082 29.597 56.021 1.00 31.04 C ATOM 1222 C LEU A 79 18.288 30.536 55.982 1.00 28.11 C ATOM 1223 O LEU A 79 18.220 31.678 56.443 1.00 30.11 O ATOM 1224 CB LEU A 79 16.317 29.450 54.679 1.00 33.79 C ATOM 1225 CG LEU A 79 15.214 30.491 54.354 1.00 35.42 C ATOM 1226 CD1 LEU A 79 15.700 31.950 54.338 1.00 35.37 C ATOM 1227 CD2 LEU A 79 14.565 30.154 53.008 1.00 35.81 C ATOM 1228 H LEU A 79 16.209 30.949 57.367 1.00 0.00 H ATOM 1229 HA LEU A 79 17.501 28.616 56.256 1.00 0.00 H ATOM 1230 HB3 LEU A 79 15.847 28.466 54.679 1.00 0.00 H ATOM 1231 HB2 LEU A 79 17.034 29.419 53.858 1.00 0.00 H ATOM 1232 HG LEU A 79 14.433 30.411 55.111 1.00 0.00 H ATOM 1233 HD11 LEU A 79 14.916 32.622 53.987 1.00 0.00 H ATOM 1234 HD12 LEU A 79 15.972 32.291 55.336 1.00 0.00 H ATOM 1235 HD13 LEU A 79 16.562 32.080 53.684 1.00 0.00 H ATOM 1236 HD21 LEU A 79 13.722 30.811 52.796 1.00 0.00 H ATOM 1237 HD22 LEU A 79 15.287 30.269 52.200 1.00 0.00 H ATOM 1238 HD23 LEU A 79 14.193 29.129 52.990 1.00 0.00 H ATOM 1239 N SER A 80 19.389 30.072 55.374 1.00 26.80 N ATOM 1240 CA SER A 80 20.498 30.929 54.969 1.00 28.15 C ATOM 1241 C SER A 80 20.008 31.852 53.840 1.00 27.39 C ATOM 1242 O SER A 80 19.233 31.419 52.986 1.00 31.13 O ATOM 1243 CB SER A 80 21.663 30.044 54.479 1.00 27.11 C ATOM 1244 OG SER A 80 22.772 30.821 54.067 1.00 27.83 O ATOM 1245 H SER A 80 19.379 29.127 55.017 1.00 0.00 H ATOM 1246 HA SER A 80 20.823 31.519 55.827 1.00 0.00 H ATOM 1247 HB3 SER A 80 21.348 29.420 53.641 1.00 0.00 H ATOM 1248 HB2 SER A 80 21.988 29.370 55.272 1.00 0.00 H ATOM 1249 HG SER A 80 23.119 31.275 54.821 1.00 0.00 H ATOM 1250 N CYS A 81 20.465 33.113 53.822 1.00 27.55 N ATOM 1251 CA CYS A 81 20.139 34.081 52.774 1.00 27.72 C ATOM 1252 C CYS A 81 20.643 33.656 51.381 1.00 27.15 C ATOM 1253 O CYS A 81 20.072 34.072 50.376 1.00 20.70 O ATOM 1254 CB CYS A 81 20.736 35.451 53.120 1.00 26.88 C ATOM 1255 SG CYS A 81 20.033 36.375 54.511 1.00 27.45 S ATOM 1256 H CYS A 81 21.077 33.418 54.569 1.00 0.00 H ATOM 1257 HA CYS A 81 19.054 34.167 52.708 1.00 0.00 H ATOM 1258 HB3 CYS A 81 20.626 36.098 52.258 1.00 0.00 H ATOM 1259 HB2 CYS A 81 21.810 35.357 53.287 1.00 0.00 H ATOM 1260 N SER A 82 21.671 32.788 51.325 1.00 26.04 N ATOM 1261 CA SER A 82 22.189 32.165 50.110 1.00 28.91 C ATOM 1262 C SER A 82 21.220 31.138 49.486 1.00 27.55 C ATOM 1263 O SER A 82 21.311 30.901 48.284 1.00 29.86 O ATOM 1264 CB SER A 82 23.557 31.517 50.421 1.00 27.52 C ATOM 1265 OG SER A 82 23.461 30.327 51.183 1.00 27.53 O ATOM 1266 H SER A 82 22.076 32.488 52.201 1.00 0.00 H ATOM 1267 HA SER A 82 22.350 32.959 49.378 1.00 0.00 H ATOM 1268 HB3 SER A 82 24.210 32.221 50.938 1.00 0.00 H ATOM 1269 HB2 SER A 82 24.057 31.266 49.485 1.00 0.00 H ATOM 1270 HG SER A 82 23.171 30.541 52.060 1.00 0.00 H ATOM 1271 N ALA A 83 20.266 30.577 50.255 1.00 28.80 N ATOM 1272 CA ALA A 83 19.215 29.678 49.759 1.00 28.44 C ATOM 1273 C ALA A 83 18.131 30.423 48.954 1.00 27.38 C ATOM 1274 O ALA A 83 17.352 29.789 48.244 1.00 27.01 O ATOM 1275 CB ALA A 83 18.544 28.985 50.956 1.00 27.52 C ATOM 1276 H ALA A 83 20.225 30.833 51.232 1.00 0.00 H ATOM 1277 HA ALA A 83 19.669 28.918 49.121 1.00 0.00 H ATOM 1278 HB1 ALA A 83 17.864 28.202 50.622 1.00 0.00 H ATOM 1279 HB2 ALA A 83 19.283 28.516 51.607 1.00 0.00 H ATOM 1280 HB3 ALA A 83 17.961 29.683 51.557 1.00 0.00 H ATOM 1281 N LEU A 84 18.111 31.764 49.032 1.00 26.62 N ATOM 1282 CA LEU A 84 17.259 32.655 48.250 1.00 26.62 C ATOM 1283 C LEU A 84 17.966 33.113 46.956 1.00 26.50 C ATOM 1284 O LEU A 84 17.321 33.740 46.116 1.00 29.12 O ATOM 1285 CB LEU A 84 16.959 33.910 49.101 1.00 27.92 C ATOM 1286 CG LEU A 84 16.377 33.621 50.505 1.00 27.16 C ATOM 1287 CD1 LEU A 84 16.355 34.905 51.330 1.00 27.04 C ATOM 1288 CD2 LEU A 84 14.967 33.022 50.437 1.00 28.26 C ATOM 1289 H LEU A 84 18.779 32.205 49.648 1.00 0.00 H ATOM 1290 HA LEU A 84 16.326 32.158 47.980 1.00 0.00 H ATOM 1291 HB3 LEU A 84 16.270 34.561 48.559 1.00 0.00 H ATOM 1292 HB2 LEU A 84 17.872 34.492 49.212 1.00 0.00 H ATOM 1293 HG LEU A 84 17.020 32.920 51.039 1.00 0.00 H ATOM 1294 HD11 LEU A 84 15.907 34.745 52.310 1.00 0.00 H ATOM 1295 HD12 LEU A 84 17.359 35.303 51.474 1.00 0.00 H ATOM 1296 HD13 LEU A 84 15.773 35.653 50.806 1.00 0.00 H ATOM 1297 HD21 LEU A 84 14.580 32.813 51.434 1.00 0.00 H ATOM 1298 HD22 LEU A 84 14.283 33.724 49.963 1.00 0.00 H ATOM 1299 HD23 LEU A 84 14.948 32.086 49.879 1.00 0.00 H ATOM 1300 N LEU A 85 19.262 32.786 46.780 1.00 22.95 N ATOM 1301 CA LEU A 85 20.072 33.110 45.603 1.00 24.18 C ATOM 1302 C LEU A 85 20.183 31.928 44.615 1.00 25.52 C ATOM 1303 O LEU A 85 21.111 31.892 43.807 1.00 27.14 O ATOM 1304 CB LEU A 85 21.480 33.586 46.038 1.00 23.16 C ATOM 1305 CG LEU A 85 21.514 34.870 46.896 1.00 21.70 C ATOM 1306 CD1 LEU A 85 22.971 35.225 47.236 1.00 19.27 C ATOM 1307 CD2 LEU A 85 20.820 36.067 46.217 1.00 23.17 C ATOM 1308 H LEU A 85 19.716 32.252 47.508 1.00 0.00 H ATOM 1309 HA LEU A 85 19.611 33.917 45.061 1.00 0.00 H ATOM 1310 HB3 LEU A 85 22.087 33.778 45.151 1.00 0.00 H ATOM 1311 HB2 LEU A 85 21.987 32.782 46.572 1.00 0.00 H ATOM 1312 HG LEU A 85 20.994 34.672 47.834 1.00 0.00 H ATOM 1313 HD11 LEU A 85 23.035 36.112 47.865 1.00 0.00 H ATOM 1314 HD12 LEU A 85 23.463 34.411 47.769 1.00 0.00 H ATOM 1315 HD13 LEU A 85 23.548 35.425 46.333 1.00 0.00 H ATOM 1316 HD21 LEU A 85 20.916 36.978 46.805 1.00 0.00 H ATOM 1317 HD22 LEU A 85 21.254 36.273 45.239 1.00 0.00 H ATOM 1318 HD23 LEU A 85 19.752 35.895 46.083 1.00 0.00 H ATOM 1319 N GLN A 86 19.248 30.964 44.667 1.00 22.46 N ATOM 1320 CA GLN A 86 19.271 29.733 43.873 1.00 22.66 C ATOM 1321 C GLN A 86 18.186 29.748 42.789 1.00 19.40 C ATOM 1322 O GLN A 86 17.159 30.412 42.923 1.00 18.97 O ATOM 1323 CB GLN A 86 19.045 28.528 44.815 1.00 24.24 C ATOM 1324 CG AGLN A 86 20.067 28.416 45.968 0.50 22.15 C ATOM 1325 CG BGLN A 86 19.556 27.299 43.897 0.50 24.73 C ATOM 1326 CD AGLN A 86 21.533 28.434 45.515 0.50 20.86 C ATOM 1327 CD BGLN A 86 20.976 27.144 43.401 0.50 22.91 C ATOM 1328 OE1AGLN A 86 21.896 27.799 44.528 0.50 23.44 O ATOM 1329 OE1BGLN A 86 21.906 27.460 44.124 0.50 22.77 O ATOM 1330 NE2AGLN A 86 22.380 29.179 46.225 0.50 16.19 N ATOM 1331 NE2BGLN A 86 21.148 26.663 42.179 0.50 21.49 N ATOM 1332 H GLN A 86 18.492 31.069 45.329 1.00 0.00 H ATOM 1333 HA GLN A 86 20.230 29.619 43.366 1.00 0.00 H ATOM 1334 HB3 GLN A 86 19.067 27.604 44.235 1.00 0.00 H ATOM 1335 HB2 GLN A 86 18.044 28.581 45.247 1.00 0.00 H ATOM 1336 HG3AGLN A 86 19.891 27.494 46.523 0.50 0.00 H ATOM 1337 HG3BGLN A 86 18.867 27.131 43.070 0.50 0.00 H ATOM 1338 HG2AGLN A 86 19.899 29.228 46.675 0.50 0.00 H ATOM 1339 HG2BGLN A 86 19.318 26.474 44.568 0.50 0.00 H ATOM 1340 HE22AGLN A 86 23.352 29.222 45.957 0.50 0.00 H ATOM 1341 HE22BGLN A 86 22.081 26.544 41.810 0.50 0.00 H ATOM 1342 HE21AGLN A 86 22.043 29.712 47.018 0.50 0.00 H ATOM 1343 HE21BGLN A 86 20.347 26.415 41.616 0.50 0.00 H ATOM 1344 N ASP A 87 18.436 28.985 41.711 1.00 23.04 N ATOM 1345 CA ASP A 87 17.598 28.851 40.511 1.00 24.10 C ATOM 1346 C ASP A 87 16.234 28.200 40.801 1.00 23.15 C ATOM 1347 O ASP A 87 15.234 28.578 40.190 1.00 22.90 O ATOM 1348 CB ASP A 87 18.339 28.018 39.436 1.00 25.66 C ATOM 1349 CG ASP A 87 19.775 28.469 39.136 1.00 25.72 C ATOM 1350 OD1 ASP A 87 20.028 29.694 39.187 1.00 29.44 O ATOM 1351 OD2 ASP A 87 20.596 27.574 38.848 1.00 28.73 O1- ATOM 1352 H ASP A 87 19.312 28.483 41.697 1.00 0.00 H ATOM 1353 HA ASP A 87 17.420 29.853 40.120 1.00 0.00 H ATOM 1354 HB3 ASP A 87 17.778 28.038 38.500 1.00 0.00 H ATOM 1355 HB2 ASP A 87 18.378 26.972 39.745 1.00 0.00 H ATOM 1356 N ASN A 88 16.198 27.275 41.777 1.00 23.87 N ATOM 1357 CA ASN A 88 14.991 26.770 42.425 1.00 21.49 C ATOM 1358 C ASN A 88 14.536 27.856 43.413 1.00 17.36 C ATOM 1359 O ASN A 88 15.310 28.289 44.267 1.00 14.92 O ATOM 1360 CB ASN A 88 15.358 25.476 43.194 1.00 22.81 C ATOM 1361 CG ASN A 88 14.159 24.809 43.882 1.00 24.58 C ATOM 1362 OD1 ASN A 88 13.695 25.282 44.917 1.00 29.21 O ATOM 1363 ND2 ASN A 88 13.649 23.714 43.317 1.00 26.41 N ATOM 1364 H ASN A 88 17.076 27.038 42.216 1.00 0.00 H ATOM 1365 HA ASN A 88 14.220 26.566 41.679 1.00 0.00 H ATOM 1366 HB3 ASN A 88 16.117 25.681 43.952 1.00 0.00 H ATOM 1367 HB2 ASN A 88 15.813 24.762 42.507 1.00 0.00 H ATOM 1368 HD22 ASN A 88 12.862 23.253 43.749 1.00 0.00 H ATOM 1369 HD21 ASN A 88 14.054 23.343 42.470 1.00 0.00 H ATOM 1370 N ILE A 89 13.270 28.273 43.286 1.00 19.97 N ATOM 1371 CA ILE A 89 12.675 29.374 44.038 1.00 17.62 C ATOM 1372 C ILE A 89 11.655 28.885 45.082 1.00 17.44 C ATOM 1373 O ILE A 89 10.867 29.696 45.556 1.00 22.87 O ATOM 1374 CB ILE A 89 12.061 30.403 43.045 1.00 15.44 C ATOM 1375 CG1 ILE A 89 10.944 29.816 42.145 1.00 16.14 C ATOM 1376 CG2 ILE A 89 13.167 31.083 42.217 1.00 17.69 C ATOM 1377 CD1 ILE A 89 10.102 30.892 41.451 1.00 16.12 C ATOM 1378 H ILE A 89 12.700 27.852 42.567 1.00 0.00 H ATOM 1379 HA ILE A 89 13.442 29.896 44.614 1.00 0.00 H ATOM 1380 HB ILE A 89 11.611 31.198 43.641 1.00 0.00 H ATOM 1381 HG13 ILE A 89 10.264 29.206 42.739 1.00 0.00 H ATOM 1382 HG12 ILE A 89 11.372 29.147 41.398 1.00 0.00 H ATOM 1383 HG21 ILE A 89 12.779 31.924 41.643 1.00 0.00 H ATOM 1384 HG22 ILE A 89 13.955 31.475 42.862 1.00 0.00 H ATOM 1385 HG23 ILE A 89 13.631 30.389 41.517 1.00 0.00 H ATOM 1386 HD11 ILE A 89 9.281 30.450 40.889 1.00 0.00 H ATOM 1387 HD12 ILE A 89 9.671 31.583 42.175 1.00 0.00 H ATOM 1388 HD13 ILE A 89 10.701 31.472 40.749 1.00 0.00 H ATOM 1389 N ALA A 90 11.667 27.597 45.474 1.00 16.88 N ATOM 1390 CA ALA A 90 10.752 27.037 46.476 1.00 18.21 C ATOM 1391 C ALA A 90 10.970 27.635 47.878 1.00 19.02 C ATOM 1392 O ALA A 90 9.993 27.903 48.574 1.00 19.99 O ATOM 1393 CB ALA A 90 10.927 25.512 46.539 1.00 17.69 C ATOM 1394 H ALA A 90 12.356 26.975 45.073 1.00 0.00 H ATOM 1395 HA ALA A 90 9.730 27.255 46.161 1.00 0.00 H ATOM 1396 HB1 ALA A 90 10.198 25.062 47.214 1.00 0.00 H ATOM 1397 HB2 ALA A 90 10.784 25.060 45.557 1.00 0.00 H ATOM 1398 HB3 ALA A 90 11.919 25.233 46.896 1.00 0.00 H ATOM 1399 N ASP A 91 12.233 27.903 48.255 1.00 19.40 N ATOM 1400 CA ASP A 91 12.623 28.561 49.506 1.00 22.38 C ATOM 1401 C ASP A 91 12.325 30.067 49.488 1.00 20.32 C ATOM 1402 O ASP A 91 11.902 30.608 50.510 1.00 19.71 O ATOM 1403 CB ASP A 91 14.142 28.376 49.738 1.00 24.56 C ATOM 1404 CG ASP A 91 14.571 26.950 50.094 1.00 26.57 C ATOM 1405 OD1 ASP A 91 13.713 26.180 50.579 1.00 27.65 O ATOM 1406 OD2 ASP A 91 15.773 26.666 49.908 1.00 25.00 O1- ATOM 1407 H ASP A 91 12.978 27.641 47.626 1.00 0.00 H ATOM 1408 HA ASP A 91 12.063 28.125 50.335 1.00 0.00 H ATOM 1409 HB3 ASP A 91 14.483 29.016 50.547 1.00 0.00 H ATOM 1410 HB2 ASP A 91 14.697 28.694 48.854 1.00 0.00 H ATOM 1411 N ALA A 92 12.501 30.732 48.331 1.00 22.15 N ATOM 1412 CA ALA A 92 12.177 32.143 48.123 1.00 22.05 C ATOM 1413 C ALA A 92 10.668 32.401 48.212 1.00 22.68 C ATOM 1414 O ALA A 92 10.256 33.381 48.826 1.00 19.86 O ATOM 1415 CB ALA A 92 12.707 32.589 46.752 1.00 23.20 C ATOM 1416 H ALA A 92 12.845 30.214 47.536 1.00 0.00 H ATOM 1417 HA ALA A 92 12.660 32.732 48.899 1.00 0.00 H ATOM 1418 HB1 ALA A 92 12.509 33.648 46.580 1.00 0.00 H ATOM 1419 HB2 ALA A 92 13.787 32.447 46.685 1.00 0.00 H ATOM 1420 HB3 ALA A 92 12.249 32.031 45.935 1.00 0.00 H ATOM 1421 N VAL A 93 9.860 31.490 47.646 1.00 23.80 N ATOM 1422 CA VAL A 93 8.401 31.489 47.671 1.00 24.43 C ATOM 1423 C VAL A 93 7.858 31.139 49.067 1.00 24.10 C ATOM 1424 O VAL A 93 6.911 31.785 49.503 1.00 27.04 O ATOM 1425 CB VAL A 93 7.899 30.502 46.580 1.00 26.71 C ATOM 1426 CG1 VAL A 93 6.438 30.047 46.741 1.00 25.00 C ATOM 1427 CG2 VAL A 93 8.088 31.123 45.184 1.00 24.24 C ATOM 1428 H VAL A 93 10.300 30.725 47.150 1.00 0.00 H ATOM 1429 HA VAL A 93 8.049 32.491 47.422 1.00 0.00 H ATOM 1430 HB VAL A 93 8.502 29.595 46.629 1.00 0.00 H ATOM 1431 HG11 VAL A 93 6.090 29.528 45.851 1.00 0.00 H ATOM 1432 HG12 VAL A 93 6.313 29.365 47.583 1.00 0.00 H ATOM 1433 HG13 VAL A 93 5.785 30.899 46.901 1.00 0.00 H ATOM 1434 HG21 VAL A 93 7.870 30.408 44.394 1.00 0.00 H ATOM 1435 HG22 VAL A 93 7.425 31.973 45.044 1.00 0.00 H ATOM 1436 HG23 VAL A 93 9.104 31.482 45.023 1.00 0.00 H ATOM 1437 N ALA A 94 8.451 30.167 49.783 1.00 21.72 N ATOM 1438 CA ALA A 94 8.044 29.771 51.136 1.00 21.88 C ATOM 1439 C ALA A 94 8.307 30.877 52.171 1.00 21.97 C ATOM 1440 O ALA A 94 7.504 31.064 53.086 1.00 21.10 O ATOM 1441 CB ALA A 94 8.814 28.506 51.544 1.00 21.27 C ATOM 1442 H ALA A 94 9.219 29.658 49.363 1.00 0.00 H ATOM 1443 HA ALA A 94 6.976 29.548 51.129 1.00 0.00 H ATOM 1444 HB1 ALA A 94 8.550 28.190 52.554 1.00 0.00 H ATOM 1445 HB2 ALA A 94 8.581 27.676 50.877 1.00 0.00 H ATOM 1446 HB3 ALA A 94 9.893 28.662 51.515 1.00 0.00 H ATOM 1447 N CYS A 95 9.399 31.637 51.988 1.00 23.28 N ATOM 1448 CA CYS A 95 9.745 32.796 52.801 1.00 23.19 C ATOM 1449 C CYS A 95 8.934 34.038 52.389 1.00 21.90 C ATOM 1450 O CYS A 95 8.581 34.825 53.262 1.00 23.28 O ATOM 1451 CB CYS A 95 11.253 33.065 52.650 1.00 22.26 C ATOM 1452 SG CYS A 95 11.944 34.382 53.691 1.00 24.88 S ATOM 1453 H CYS A 95 10.018 31.407 51.222 1.00 0.00 H ATOM 1454 HA CYS A 95 9.529 32.558 53.843 1.00 0.00 H ATOM 1455 HB3 CYS A 95 11.500 33.293 51.612 1.00 0.00 H ATOM 1456 HB2 CYS A 95 11.799 32.155 52.897 1.00 0.00 H ATOM 1457 N ALA A 96 8.567 34.191 51.103 1.00 19.80 N ATOM 1458 CA ALA A 96 7.679 35.255 50.622 1.00 22.54 C ATOM 1459 C ALA A 96 6.233 35.052 51.104 1.00 22.40 C ATOM 1460 O ALA A 96 5.548 36.034 51.378 1.00 20.13 O ATOM 1461 CB ALA A 96 7.694 35.290 49.086 1.00 21.79 C ATOM 1462 H ALA A 96 8.901 33.523 50.421 1.00 0.00 H ATOM 1463 HA ALA A 96 8.043 36.213 50.998 1.00 0.00 H ATOM 1464 HB1 ALA A 96 7.044 36.078 48.705 1.00 0.00 H ATOM 1465 HB2 ALA A 96 8.695 35.498 48.711 1.00 0.00 H ATOM 1466 HB3 ALA A 96 7.358 34.349 48.653 1.00 0.00 H ATOM 1467 N LYS A 97 5.799 33.790 51.270 1.00 23.67 N ATOM 1468 CA LYS A 97 4.528 33.396 51.870 1.00 25.52 C ATOM 1469 C LYS A 97 4.492 33.718 53.373 1.00 27.02 C ATOM 1470 O LYS A 97 3.482 34.227 53.850 1.00 27.55 O ATOM 1471 CB LYS A 97 4.304 31.888 51.655 1.00 25.53 C ATOM 1472 CG LYS A 97 3.784 31.554 50.248 1.00 25.76 C ATOM 1473 CD LYS A 97 3.630 30.045 50.046 1.00 23.85 C ATOM 1474 CE LYS A 97 3.081 29.686 48.663 1.00 24.38 C ATOM 1475 NZ LYS A 97 2.921 28.231 48.540 1.00 23.71 N1+ ATOM 1476 H LYS A 97 6.417 33.043 50.981 1.00 0.00 H ATOM 1477 HA LYS A 97 3.721 33.934 51.375 1.00 0.00 H ATOM 1478 HB3 LYS A 97 3.582 31.508 52.378 1.00 0.00 H ATOM 1479 HB2 LYS A 97 5.226 31.340 51.847 1.00 0.00 H ATOM 1480 HG3 LYS A 97 4.447 31.962 49.489 1.00 0.00 H ATOM 1481 HG2 LYS A 97 2.826 32.040 50.081 1.00 0.00 H ATOM 1482 HD3 LYS A 97 2.967 29.647 50.815 1.00 0.00 H ATOM 1483 HD2 LYS A 97 4.598 29.563 50.190 1.00 0.00 H ATOM 1484 HE3 LYS A 97 3.754 30.034 47.880 1.00 0.00 H ATOM 1485 HE2 LYS A 97 2.115 30.164 48.493 1.00 0.00 H ATOM 1486 HZ1 LYS A 97 2.641 27.998 47.594 1.00 0.00 H ATOM 1487 HZ2 LYS A 97 3.800 27.775 48.738 1.00 0.00 H ATOM 1488 HZ3 LYS A 97 2.218 27.907 49.188 1.00 0.00 H ATOM 1489 N ARG A 98 5.600 33.477 54.099 1.00 27.06 N ATOM 1490 CA ARG A 98 5.796 33.841 55.505 1.00 28.28 C ATOM 1491 C ARG A 98 5.744 35.363 55.741 1.00 25.82 C ATOM 1492 O ARG A 98 5.145 35.792 56.726 1.00 26.89 O ATOM 1493 CB ARG A 98 7.125 33.213 56.004 1.00 30.28 C ATOM 1494 CG ARG A 98 7.648 33.673 57.381 1.00 34.44 C ATOM 1495 CD ARG A 98 6.722 33.340 58.560 1.00 35.15 C ATOM 1496 NE ARG A 98 7.137 34.035 59.788 1.00 39.67 N ATOM 1497 CZ ARG A 98 6.617 35.179 60.275 1.00 38.73 C ATOM 1498 NH1 ARG A 98 5.668 35.868 59.623 1.00 38.71 N ATOM 1499 NH2 ARG A 98 7.067 35.655 61.442 1.00 34.78 N1+ ATOM 1500 H ARG A 98 6.387 33.055 53.624 1.00 0.00 H ATOM 1501 HA ARG A 98 4.974 33.400 56.069 1.00 0.00 H ATOM 1502 HB3 ARG A 98 7.909 33.427 55.282 1.00 0.00 H ATOM 1503 HB2 ARG A 98 7.028 32.127 56.005 1.00 0.00 H ATOM 1504 HG3 ARG A 98 7.858 34.739 57.352 1.00 0.00 H ATOM 1505 HG2 ARG A 98 8.616 33.200 57.557 1.00 0.00 H ATOM 1506 HD3 ARG A 98 6.746 32.267 58.750 1.00 0.00 H ATOM 1507 HD2 ARG A 98 5.685 33.588 58.338 1.00 0.00 H ATOM 1508 HE ARG A 98 7.885 33.593 60.305 1.00 0.00 H ATOM 1509 HH12 ARG A 98 5.312 36.748 59.987 1.00 0.00 H ATOM 1510 HH11 ARG A 98 5.361 35.574 58.705 1.00 0.00 H ATOM 1511 HH22 ARG A 98 6.684 36.512 61.816 1.00 0.00 H ATOM 1512 HH21 ARG A 98 7.778 35.161 61.962 1.00 0.00 H ATOM 1513 N VAL A 99 6.326 36.169 54.833 1.00 23.31 N ATOM 1514 CA VAL A 99 6.306 37.637 54.868 1.00 21.82 C ATOM 1515 C VAL A 99 4.873 38.183 54.744 1.00 21.51 C ATOM 1516 O VAL A 99 4.525 39.106 55.475 1.00 18.84 O ATOM 1517 CB VAL A 99 7.231 38.220 53.760 1.00 24.32 C ATOM 1518 CG1 VAL A 99 7.106 39.751 53.583 1.00 22.10 C ATOM 1519 CG2 VAL A 99 8.713 37.880 53.995 1.00 26.62 C ATOM 1520 H VAL A 99 6.820 35.738 54.062 1.00 0.00 H ATOM 1521 HA VAL A 99 6.692 37.954 55.838 1.00 0.00 H ATOM 1522 HB VAL A 99 6.943 37.761 52.814 1.00 0.00 H ATOM 1523 HG11 VAL A 99 7.861 40.130 52.895 1.00 0.00 H ATOM 1524 HG12 VAL A 99 6.137 40.043 53.178 1.00 0.00 H ATOM 1525 HG13 VAL A 99 7.244 40.270 54.533 1.00 0.00 H ATOM 1526 HG21 VAL A 99 9.251 37.820 53.049 1.00 0.00 H ATOM 1527 HG22 VAL A 99 9.198 38.652 54.585 1.00 0.00 H ATOM 1528 HG23 VAL A 99 8.860 36.942 54.526 1.00 0.00 H ATOM 1529 N VAL A 100 4.037 37.610 53.860 1.00 24.02 N ATOM 1530 CA VAL A 100 2.656 38.058 53.658 1.00 24.74 C ATOM 1531 C VAL A 100 1.650 37.348 54.588 1.00 21.95 C ATOM 1532 O VAL A 100 0.457 37.640 54.502 1.00 24.07 O ATOM 1533 CB VAL A 100 2.249 37.914 52.171 1.00 24.42 C ATOM 1534 CG1 VAL A 100 3.221 38.686 51.267 1.00 27.25 C ATOM 1535 CG2 VAL A 100 2.071 36.468 51.688 1.00 23.85 C ATOM 1536 H VAL A 100 4.378 36.854 53.282 1.00 0.00 H ATOM 1537 HA VAL A 100 2.596 39.119 53.901 1.00 0.00 H ATOM 1538 HB VAL A 100 1.279 38.398 52.070 1.00 0.00 H ATOM 1539 HG11 VAL A 100 2.868 38.750 50.241 1.00 0.00 H ATOM 1540 HG12 VAL A 100 3.359 39.702 51.628 1.00 0.00 H ATOM 1541 HG13 VAL A 100 4.205 38.222 51.243 1.00 0.00 H ATOM 1542 HG21 VAL A 100 1.785 36.437 50.640 1.00 0.00 H ATOM 1543 HG22 VAL A 100 2.997 35.916 51.797 1.00 0.00 H ATOM 1544 HG23 VAL A 100 1.293 35.945 52.243 1.00 0.00 H ATOM 1545 N ARG A 101 2.113 36.478 55.508 1.00 24.18 N ATOM 1546 CA ARG A 101 1.332 36.026 56.664 1.00 22.86 C ATOM 1547 C ARG A 101 1.424 37.025 57.835 1.00 20.51 C ATOM 1548 O ARG A 101 0.602 36.923 58.746 1.00 19.64 O ATOM 1549 CB ARG A 101 1.800 34.638 57.157 1.00 20.99 C ATOM 1550 CG ARG A 101 1.264 33.475 56.302 1.00 21.55 C ATOM 1551 CD ARG A 101 1.364 32.101 56.983 1.00 20.09 C ATOM 1552 NE ARG A 101 2.742 31.761 57.365 1.00 20.69 N ATOM 1553 CZ ARG A 101 3.626 31.032 56.662 1.00 20.09 C ATOM 1554 NH1 ARG A 101 3.355 30.566 55.435 1.00 21.95 N ATOM 1555 NH2 ARG A 101 4.816 30.757 57.206 1.00 21.05 N1+ ATOM 1556 H ARG A 101 3.101 36.263 55.502 1.00 0.00 H ATOM 1557 HA ARG A 101 0.276 35.961 56.395 1.00 0.00 H ATOM 1558 HB3 ARG A 101 1.446 34.476 58.176 1.00 0.00 H ATOM 1559 HB2 ARG A 101 2.887 34.594 57.214 1.00 0.00 H ATOM 1560 HG3 ARG A 101 1.760 33.450 55.340 1.00 0.00 H ATOM 1561 HG2 ARG A 101 0.213 33.655 56.079 1.00 0.00 H ATOM 1562 HD3 ARG A 101 0.945 31.319 56.353 1.00 0.00 H ATOM 1563 HD2 ARG A 101 0.763 32.105 57.893 1.00 0.00 H ATOM 1564 HE ARG A 101 3.030 32.107 58.270 1.00 0.00 H ATOM 1565 HH12 ARG A 101 4.042 30.024 54.931 1.00 0.00 H ATOM 1566 HH11 ARG A 101 2.451 30.727 55.011 1.00 0.00 H ATOM 1567 HH22 ARG A 101 5.495 30.206 56.700 1.00 0.00 H ATOM 1568 HH21 ARG A 101 5.031 31.059 58.145 1.00 0.00 H ATOM 1569 N ASP A 102 2.317 38.039 57.786 1.00 23.46 N ATOM 1570 CA ASP A 102 2.178 39.267 58.586 1.00 22.78 C ATOM 1571 C ASP A 102 0.945 40.057 58.104 1.00 23.89 C ATOM 1572 O ASP A 102 0.576 39.950 56.931 1.00 23.60 O ATOM 1573 CB ASP A 102 3.435 40.172 58.487 1.00 21.56 C ATOM 1574 CG ASP A 102 4.640 39.729 59.322 1.00 20.86 C ATOM 1575 OD1 ASP A 102 4.546 38.700 60.028 1.00 19.83 O ATOM 1576 OD2 ASP A 102 5.648 40.467 59.260 1.00 22.21 O1- ATOM 1577 H ASP A 102 2.972 38.069 57.018 1.00 0.00 H ATOM 1578 HA ASP A 102 2.020 38.971 59.624 1.00 0.00 H ATOM 1579 HB3 ASP A 102 3.208 41.187 58.808 1.00 0.00 H ATOM 1580 HB2 ASP A 102 3.742 40.283 57.451 1.00 0.00 H ATOM 1581 N PRO A 103 0.291 40.846 58.986 1.00 22.39 N ATOM 1582 CA PRO A 103 -1.011 41.469 58.700 1.00 23.86 C ATOM 1583 C PRO A 103 -0.972 42.596 57.654 1.00 23.31 C ATOM 1584 O PRO A 103 -2.006 42.903 57.062 1.00 26.62 O ATOM 1585 CB PRO A 103 -1.509 41.971 60.063 1.00 22.63 C ATOM 1586 CG PRO A 103 -0.246 42.205 60.875 1.00 22.52 C ATOM 1587 CD PRO A 103 0.745 41.174 60.342 1.00 22.40 C ATOM 1588 HA PRO A 103 -1.699 40.706 58.331 1.00 0.00 H ATOM 1589 HB3 PRO A 103 -2.103 41.190 60.538 1.00 0.00 H ATOM 1590 HB2 PRO A 103 -2.137 42.861 60.004 1.00 0.00 H ATOM 1591 HG3 PRO A 103 -0.409 42.121 61.950 1.00 0.00 H ATOM 1592 HG2 PRO A 103 0.130 43.209 60.673 1.00 0.00 H ATOM 1593 HD2 PRO A 103 1.759 41.567 60.378 1.00 0.00 H ATOM 1594 HD3 PRO A 103 0.706 40.276 60.960 1.00 0.00 H ATOM 1595 N GLN A 104 0.215 43.163 57.389 1.00 21.87 N ATOM 1596 CA GLN A 104 0.456 44.161 56.353 1.00 26.57 C ATOM 1597 C GLN A 104 0.488 43.543 54.935 1.00 25.85 C ATOM 1598 O GLN A 104 0.262 44.261 53.962 1.00 25.98 O ATOM 1599 CB GLN A 104 1.790 44.857 56.702 1.00 28.24 C ATOM 1600 CG GLN A 104 2.156 46.023 55.761 1.00 31.35 C ATOM 1601 CD GLN A 104 3.214 47.006 56.274 1.00 32.03 C ATOM 1602 OE1 GLN A 104 3.566 47.938 55.555 1.00 32.13 O ATOM 1603 NE2 GLN A 104 3.732 46.830 57.492 1.00 35.14 N ATOM 1604 H GLN A 104 1.015 42.848 57.918 1.00 0.00 H ATOM 1605 HA GLN A 104 -0.346 44.902 56.385 1.00 0.00 H ATOM 1606 HB3 GLN A 104 2.605 44.130 56.714 1.00 0.00 H ATOM 1607 HB2 GLN A 104 1.698 45.229 57.724 1.00 0.00 H ATOM 1608 HG3 GLN A 104 1.261 46.608 55.546 1.00 0.00 H ATOM 1609 HG2 GLN A 104 2.505 45.618 54.815 1.00 0.00 H ATOM 1610 HE22 GLN A 104 4.427 47.475 57.837 1.00 0.00 H ATOM 1611 HE21 GLN A 104 3.431 46.054 58.064 1.00 0.00 H ATOM 1612 N GLY A 105 0.711 42.222 54.809 1.00 24.75 N ATOM 1613 CA GLY A 105 0.695 41.493 53.543 1.00 26.15 C ATOM 1614 C GLY A 105 1.874 41.866 52.638 1.00 24.03 C ATOM 1615 O GLY A 105 2.996 42.041 53.115 1.00 19.71 O ATOM 1616 H GLY A 105 0.861 41.678 55.648 1.00 0.00 H ATOM 1617 HA3 GLY A 105 -0.251 41.679 53.031 1.00 0.00 H ATOM 1618 HA2 GLY A 105 0.725 40.426 53.756 1.00 0.00 H ATOM 1619 N ILE A 106 1.606 41.996 51.328 1.00 23.93 N ATOM 1620 CA ILE A 106 2.573 42.415 50.306 1.00 24.87 C ATOM 1621 C ILE A 106 2.886 43.932 50.354 1.00 27.63 C ATOM 1622 O ILE A 106 3.815 44.382 49.683 1.00 28.19 O ATOM 1623 CB ILE A 106 2.053 41.975 48.905 1.00 25.92 C ATOM 1624 CG1 ILE A 106 3.150 42.067 47.818 1.00 25.36 C ATOM 1625 CG2 ILE A 106 0.758 42.700 48.478 1.00 26.02 C ATOM 1626 CD1 ILE A 106 2.882 41.227 46.565 1.00 24.50 C ATOM 1627 H ILE A 106 0.661 41.824 51.016 1.00 0.00 H ATOM 1628 HA ILE A 106 3.502 41.886 50.510 1.00 0.00 H ATOM 1629 HB ILE A 106 1.812 40.917 48.993 1.00 0.00 H ATOM 1630 HG13 ILE A 106 4.095 41.727 48.235 1.00 0.00 H ATOM 1631 HG12 ILE A 106 3.307 43.102 47.527 1.00 0.00 H ATOM 1632 HG21 ILE A 106 0.368 42.304 47.541 1.00 0.00 H ATOM 1633 HG22 ILE A 106 -0.030 42.584 49.222 1.00 0.00 H ATOM 1634 HG23 ILE A 106 0.921 43.768 48.337 1.00 0.00 H ATOM 1635 HD11 ILE A 106 3.676 41.359 45.831 1.00 0.00 H ATOM 1636 HD12 ILE A 106 2.843 40.166 46.810 1.00 0.00 H ATOM 1637 HD13 ILE A 106 1.946 41.502 46.083 1.00 0.00 H ATOM 1638 N ARG A 107 2.177 44.715 51.188 1.00 26.78 N ATOM 1639 CA ARG A 107 2.461 46.132 51.431 1.00 31.56 C ATOM 1640 C ARG A 107 3.722 46.334 52.294 1.00 28.41 C ATOM 1641 O ARG A 107 4.167 47.468 52.435 1.00 29.97 O ATOM 1642 CB ARG A 107 1.264 46.811 52.135 1.00 36.99 C ATOM 1643 CG ARG A 107 -0.070 46.610 51.403 1.00 39.53 C ATOM 1644 CD ARG A 107 -1.215 47.486 51.937 1.00 41.64 C ATOM 1645 NE ARG A 107 -2.032 48.032 50.843 1.00 44.85 N ATOM 1646 CZ ARG A 107 -2.934 47.356 50.111 1.00 47.39 C ATOM 1647 NH1 ARG A 107 -3.164 46.050 50.312 1.00 47.22 N ATOM 1648 NH2 ARG A 107 -3.615 48.006 49.159 1.00 49.32 N1+ ATOM 1649 H ARG A 107 1.444 44.288 51.739 1.00 0.00 H ATOM 1650 HA ARG A 107 2.629 46.626 50.472 1.00 0.00 H ATOM 1651 HB3 ARG A 107 1.468 47.881 52.200 1.00 0.00 H ATOM 1652 HB2 ARG A 107 1.164 46.468 53.160 1.00 0.00 H ATOM 1653 HG3 ARG A 107 -0.369 45.563 51.465 1.00 0.00 H ATOM 1654 HG2 ARG A 107 0.091 46.805 50.351 1.00 0.00 H ATOM 1655 HD3 ARG A 107 -0.815 48.340 52.485 1.00 0.00 H ATOM 1656 HD2 ARG A 107 -1.836 46.933 52.642 1.00 0.00 H ATOM 1657 HE ARG A 107 -1.886 49.010 50.632 1.00 0.00 H ATOM 1658 HH12 ARG A 107 -3.847 45.554 49.758 1.00 0.00 H ATOM 1659 HH11 ARG A 107 -2.658 45.556 51.033 1.00 0.00 H ATOM 1660 HH22 ARG A 107 -4.308 47.526 48.602 1.00 0.00 H ATOM 1661 HH21 ARG A 107 -3.458 48.994 49.006 1.00 0.00 H ATOM 1662 N ALA A 108 4.320 45.255 52.833 1.00 25.16 N ATOM 1663 CA ALA A 108 5.585 45.253 53.567 1.00 23.76 C ATOM 1664 C ALA A 108 6.781 45.656 52.686 1.00 23.24 C ATOM 1665 O ALA A 108 7.723 46.269 53.188 1.00 25.81 O ATOM 1666 CB ALA A 108 5.812 43.843 54.133 1.00 22.42 C ATOM 1667 H ALA A 108 3.887 44.355 52.677 1.00 0.00 H ATOM 1668 HA ALA A 108 5.509 45.961 54.394 1.00 0.00 H ATOM 1669 HB1 ALA A 108 6.737 43.790 54.709 1.00 0.00 H ATOM 1670 HB2 ALA A 108 4.998 43.554 54.799 1.00 0.00 H ATOM 1671 HB3 ALA A 108 5.871 43.094 53.341 1.00 0.00 H ATOM 1672 N TRP A 109 6.717 45.367 51.374 1.00 20.39 N ATOM 1673 CA TRP A 109 7.673 45.838 50.380 1.00 18.88 C ATOM 1674 C TRP A 109 7.268 47.237 49.906 1.00 20.19 C ATOM 1675 O TRP A 109 6.131 47.464 49.487 1.00 19.53 O ATOM 1676 CB TRP A 109 7.659 44.893 49.170 1.00 18.79 C ATOM 1677 CG TRP A 109 8.320 43.571 49.412 1.00 16.04 C ATOM 1678 CD1 TRP A 109 9.650 43.340 49.360 1.00 18.51 C ATOM 1679 CD2 TRP A 109 7.705 42.282 49.702 1.00 17.83 C ATOM 1680 NE1 TRP A 109 9.898 42.005 49.592 1.00 19.13 N ATOM 1681 CE2 TRP A 109 8.732 41.295 49.787 1.00 17.46 C ATOM 1682 CE3 TRP A 109 6.378 41.839 49.877 1.00 16.81 C ATOM 1683 CZ2 TRP A 109 8.450 39.935 50.010 1.00 18.31 C ATOM 1684 CZ3 TRP A 109 6.083 40.478 50.087 1.00 16.08 C ATOM 1685 CH2 TRP A 109 7.114 39.524 50.153 1.00 14.85 C ATOM 1686 H TRP A 109 5.901 44.879 51.033 1.00 0.00 H ATOM 1687 HA TRP A 109 8.681 45.866 50.800 1.00 0.00 H ATOM 1688 HB3 TRP A 109 8.191 45.358 48.337 1.00 0.00 H ATOM 1689 HB2 TRP A 109 6.641 44.724 48.816 1.00 0.00 H ATOM 1690 HD1 TRP A 109 10.396 44.094 49.152 1.00 0.00 H ATOM 1691 HE1 TRP A 109 10.830 41.615 49.540 1.00 0.00 H ATOM 1692 HE3 TRP A 109 5.581 42.560 49.819 1.00 0.00 H ATOM 1693 HZ2 TRP A 109 9.243 39.208 50.057 1.00 0.00 H ATOM 1694 HZ3 TRP A 109 5.057 40.169 50.176 1.00 0.00 H ATOM 1695 HH2 TRP A 109 6.879 38.481 50.312 1.00 0.00 H ATOM 1696 N VAL A 110 8.238 48.162 49.968 1.00 21.74 N ATOM 1697 CA VAL A 110 8.123 49.565 49.574 1.00 26.00 C ATOM 1698 C VAL A 110 7.913 49.720 48.057 1.00 24.34 C ATOM 1699 O VAL A 110 7.156 50.594 47.637 1.00 25.69 O ATOM 1700 CB VAL A 110 9.389 50.340 50.040 1.00 27.86 C ATOM 1701 CG1 VAL A 110 9.560 50.288 51.569 1.00 30.41 C ATOM 1702 CG2 VAL A 110 10.705 49.906 49.358 1.00 28.72 C ATOM 1703 H VAL A 110 9.136 47.871 50.327 1.00 0.00 H ATOM 1704 HA VAL A 110 7.247 49.983 50.075 1.00 0.00 H ATOM 1705 HB VAL A 110 9.234 51.389 49.784 1.00 0.00 H ATOM 1706 HG11 VAL A 110 10.378 50.932 51.892 1.00 0.00 H ATOM 1707 HG12 VAL A 110 8.662 50.625 52.081 1.00 0.00 H ATOM 1708 HG13 VAL A 110 9.782 49.279 51.918 1.00 0.00 H ATOM 1709 HG21 VAL A 110 11.554 50.448 49.774 1.00 0.00 H ATOM 1710 HG22 VAL A 110 10.900 48.842 49.495 1.00 0.00 H ATOM 1711 HG23 VAL A 110 10.701 50.112 48.288 1.00 0.00 H ATOM 1712 N ALA A 111 8.539 48.842 47.250 1.00 23.78 N ATOM 1713 CA ALA A 111 8.444 48.841 45.795 1.00 24.04 C ATOM 1714 C ALA A 111 7.065 48.369 45.322 1.00 24.17 C ATOM 1715 O ALA A 111 6.617 48.832 44.279 1.00 22.22 O ATOM 1716 CB ALA A 111 9.507 47.904 45.205 1.00 22.73 C ATOM 1717 H ALA A 111 9.131 48.140 47.673 1.00 0.00 H ATOM 1718 HA ALA A 111 8.621 49.855 45.432 1.00 0.00 H ATOM 1719 HB1 ALA A 111 9.572 48.019 44.123 1.00 0.00 H ATOM 1720 HB2 ALA A 111 10.496 48.110 45.616 1.00 0.00 H ATOM 1721 HB3 ALA A 111 9.269 46.860 45.402 1.00 0.00 H ATOM 1722 N TRP A 112 6.350 47.522 46.086 1.00 23.83 N ATOM 1723 CA TRP A 112 4.966 47.178 45.766 1.00 25.79 C ATOM 1724 C TRP A 112 4.024 48.378 45.980 1.00 25.95 C ATOM 1725 O TRP A 112 3.120 48.572 45.171 1.00 24.97 O ATOM 1726 CB TRP A 112 4.485 45.968 46.587 1.00 26.65 C ATOM 1727 CG TRP A 112 3.117 45.491 46.193 1.00 28.05 C ATOM 1728 CD1 TRP A 112 2.840 44.572 45.238 1.00 28.86 C ATOM 1729 CD2 TRP A 112 1.826 45.973 46.671 1.00 26.53 C ATOM 1730 NE1 TRP A 112 1.473 44.474 45.079 1.00 28.67 N ATOM 1731 CE2 TRP A 112 0.797 45.332 45.920 1.00 28.03 C ATOM 1732 CE3 TRP A 112 1.420 46.921 47.640 1.00 26.83 C ATOM 1733 CZ2 TRP A 112 -0.564 45.625 46.109 1.00 28.70 C ATOM 1734 CZ3 TRP A 112 0.061 47.236 47.822 1.00 27.96 C ATOM 1735 CH2 TRP A 112 -0.932 46.586 47.066 1.00 29.60 C ATOM 1736 H TRP A 112 6.746 47.175 46.948 1.00 0.00 H ATOM 1737 HA TRP A 112 4.926 46.897 44.713 1.00 0.00 H ATOM 1738 HB3 TRP A 112 4.495 46.183 47.656 1.00 0.00 H ATOM 1739 HB2 TRP A 112 5.175 45.142 46.434 1.00 0.00 H ATOM 1740 HD1 TRP A 112 3.585 44.044 44.662 1.00 0.00 H ATOM 1741 HE1 TRP A 112 1.042 43.872 44.390 1.00 0.00 H ATOM 1742 HE3 TRP A 112 2.168 47.437 48.223 1.00 0.00 H ATOM 1743 HZ2 TRP A 112 -1.320 45.125 45.522 1.00 0.00 H ATOM 1744 HZ3 TRP A 112 -0.224 47.995 48.535 1.00 0.00 H ATOM 1745 HH2 TRP A 112 -1.973 46.830 47.210 1.00 0.00 H ATOM 1746 N ARG A 113 4.240 49.210 47.017 1.00 27.63 N ATOM 1747 CA ARG A 113 3.414 50.395 47.268 1.00 31.02 C ATOM 1748 C ARG A 113 3.587 51.467 46.179 1.00 28.96 C ATOM 1749 O ARG A 113 2.611 52.106 45.791 1.00 32.02 O ATOM 1750 CB ARG A 113 3.765 51.050 48.617 1.00 30.16 C ATOM 1751 CG ARG A 113 3.543 50.181 49.863 1.00 32.20 C ATOM 1752 CD ARG A 113 3.530 51.056 51.128 1.00 36.15 C ATOM 1753 NE ARG A 113 3.956 50.316 52.323 1.00 40.49 N ATOM 1754 CZ ARG A 113 5.137 50.426 52.959 1.00 43.61 C ATOM 1755 NH1 ARG A 113 6.098 51.248 52.520 1.00 44.87 N ATOM 1756 NH2 ARG A 113 5.366 49.696 54.057 1.00 44.93 N1+ ATOM 1757 H ARG A 113 5.008 49.020 47.646 1.00 0.00 H ATOM 1758 HA ARG A 113 2.370 50.084 47.293 1.00 0.00 H ATOM 1759 HB3 ARG A 113 3.153 51.948 48.722 1.00 0.00 H ATOM 1760 HB2 ARG A 113 4.798 51.400 48.612 1.00 0.00 H ATOM 1761 HG3 ARG A 113 4.317 49.415 49.926 1.00 0.00 H ATOM 1762 HG2 ARG A 113 2.591 49.655 49.783 1.00 0.00 H ATOM 1763 HD3 ARG A 113 2.525 51.444 51.296 1.00 0.00 H ATOM 1764 HD2 ARG A 113 4.166 51.932 50.998 1.00 0.00 H ATOM 1765 HE ARG A 113 3.307 49.624 52.670 1.00 0.00 H ATOM 1766 HH12 ARG A 113 6.975 51.322 53.013 1.00 0.00 H ATOM 1767 HH11 ARG A 113 5.946 51.805 51.691 1.00 0.00 H ATOM 1768 HH22 ARG A 113 6.250 49.756 54.540 1.00 0.00 H ATOM 1769 HH21 ARG A 113 4.664 49.050 54.401 1.00 0.00 H ATOM 1770 N ASN A 114 4.825 51.659 45.697 1.00 26.97 N ATOM 1771 CA ASN A 114 5.190 52.716 44.755 1.00 25.91 C ATOM 1772 C ASN A 114 4.971 52.310 43.287 1.00 25.98 C ATOM 1773 O ASN A 114 4.862 53.203 42.448 1.00 24.35 O ATOM 1774 CB ASN A 114 6.697 53.044 44.927 1.00 26.01 C ATOM 1775 CG ASN A 114 7.106 53.611 46.296 1.00 27.06 C ATOM 1776 OD1 ASN A 114 8.264 53.484 46.687 1.00 26.85 O ATOM 1777 ND2 ASN A 114 6.193 54.260 47.023 1.00 24.70 N ATOM 1778 H ASN A 114 5.574 51.090 46.069 1.00 0.00 H ATOM 1779 HA ASN A 114 4.593 53.611 44.943 1.00 0.00 H ATOM 1780 HB3 ASN A 114 7.009 53.774 44.178 1.00 0.00 H ATOM 1781 HB2 ASN A 114 7.294 52.149 44.744 1.00 0.00 H ATOM 1782 HD22 ASN A 114 6.459 54.651 47.915 1.00 0.00 H ATOM 1783 HD21 ASN A 114 5.249 54.364 46.682 1.00 0.00 H ATOM 1784 N ARG A 115 4.920 51.002 42.969 1.00 25.28 N ATOM 1785 CA ARG A 115 4.945 50.489 41.594 1.00 27.07 C ATOM 1786 C ARG A 115 3.740 49.615 41.220 1.00 25.89 C ATOM 1787 O ARG A 115 3.508 49.427 40.026 1.00 25.96 O ATOM 1788 CB ARG A 115 6.238 49.688 41.343 1.00 27.16 C ATOM 1789 CG ARG A 115 7.555 50.359 41.767 1.00 30.53 C ATOM 1790 CD ARG A 115 7.901 51.595 40.941 1.00 32.57 C ATOM 1791 NE ARG A 115 9.195 52.141 41.362 1.00 35.10 N ATOM 1792 CZ ARG A 115 9.844 53.149 40.760 1.00 40.34 C ATOM 1793 NH1 ARG A 115 9.339 53.748 39.673 1.00 40.14 N ATOM 1794 NH2 ARG A 115 11.016 53.561 41.258 1.00 40.45 N1+ ATOM 1795 H ARG A 115 5.024 50.326 43.713 1.00 0.00 H ATOM 1796 HA ARG A 115 4.933 51.319 40.886 1.00 0.00 H ATOM 1797 HB3 ARG A 115 6.292 49.480 40.278 1.00 0.00 H ATOM 1798 HB2 ARG A 115 6.169 48.711 41.821 1.00 0.00 H ATOM 1799 HG3 ARG A 115 8.362 49.633 41.675 1.00 0.00 H ATOM 1800 HG2 ARG A 115 7.536 50.634 42.820 1.00 0.00 H ATOM 1801 HD3 ARG A 115 7.141 52.366 41.058 1.00 0.00 H ATOM 1802 HD2 ARG A 115 7.943 51.340 39.882 1.00 0.00 H ATOM 1803 HE ARG A 115 9.606 51.723 42.185 1.00 0.00 H ATOM 1804 HH12 ARG A 115 9.831 54.508 39.226 1.00 0.00 H ATOM 1805 HH11 ARG A 115 8.455 53.440 39.294 1.00 0.00 H ATOM 1806 HH22 ARG A 115 11.520 54.319 40.821 1.00 0.00 H ATOM 1807 HH21 ARG A 115 11.408 53.119 42.077 1.00 0.00 H ATOM 1808 N CYS A 116 2.984 49.085 42.198 1.00 26.82 N ATOM 1809 CA CYS A 116 1.945 48.069 41.977 1.00 25.08 C ATOM 1810 C CYS A 116 0.587 48.462 42.570 1.00 22.62 C ATOM 1811 O CYS A 116 -0.441 48.123 41.983 1.00 23.73 O ATOM 1812 CB CYS A 116 2.418 46.710 42.529 1.00 25.60 C ATOM 1813 SG CYS A 116 4.081 46.198 42.022 1.00 24.83 S ATOM 1814 H CYS A 116 3.231 49.284 43.157 1.00 0.00 H ATOM 1815 HA CYS A 116 1.775 47.939 40.907 1.00 0.00 H ATOM 1816 HB3 CYS A 116 1.718 45.921 42.253 1.00 0.00 H ATOM 1817 HB2 CYS A 116 2.412 46.741 43.615 1.00 0.00 H ATOM 1818 N GLN A 117 0.568 49.170 43.713 1.00 23.63 N ATOM 1819 CA GLN A 117 -0.645 49.545 44.439 1.00 21.23 C ATOM 1820 C GLN A 117 -1.413 50.633 43.673 1.00 21.98 C ATOM 1821 O GLN A 117 -0.883 51.720 43.442 1.00 24.12 O ATOM 1822 CB GLN A 117 -0.248 50.083 45.828 1.00 21.30 C ATOM 1823 CG GLN A 117 -1.456 50.298 46.768 1.00 22.99 C ATOM 1824 CD GLN A 117 -1.142 50.962 48.112 1.00 22.04 C ATOM 1825 OE1 GLN A 117 -2.045 51.123 48.928 1.00 20.96 O ATOM 1826 NE2 GLN A 117 0.110 51.349 48.367 1.00 23.48 N ATOM 1827 H GLN A 117 1.452 49.405 44.143 1.00 0.00 H ATOM 1828 HA GLN A 117 -1.266 48.655 44.564 1.00 0.00 H ATOM 1829 HB3 GLN A 117 0.298 51.018 45.707 1.00 0.00 H ATOM 1830 HB2 GLN A 117 0.449 49.387 46.289 1.00 0.00 H ATOM 1831 HG3 GLN A 117 -1.946 49.344 46.960 1.00 0.00 H ATOM 1832 HG2 GLN A 117 -2.203 50.924 46.283 1.00 0.00 H ATOM 1833 HE22 GLN A 117 0.321 51.802 49.244 1.00 0.00 H ATOM 1834 HE21 GLN A 117 0.825 51.234 47.664 1.00 0.00 H ATOM 1835 N ASN A 118 -2.655 50.309 43.273 1.00 23.72 N ATOM 1836 CA ASN A 118 -3.603 51.164 42.541 1.00 26.76 C ATOM 1837 C ASN A 118 -3.181 51.435 41.083 1.00 28.76 C ATOM 1838 O ASN A 118 -3.686 52.361 40.450 1.00 28.84 O ATOM 1839 CB ASN A 118 -3.987 52.452 43.318 1.00 26.71 C ATOM 1840 CG ASN A 118 -4.642 52.172 44.674 1.00 29.83 C ATOM 1841 OD1 ASN A 118 -5.599 51.406 44.760 1.00 30.74 O ATOM 1842 ND2 ASN A 118 -4.113 52.768 45.744 1.00 30.94 N ATOM 1843 H ASN A 118 -2.983 49.381 43.499 1.00 0.00 H ATOM 1844 HA ASN A 118 -4.508 50.562 42.445 1.00 0.00 H ATOM 1845 HB3 ASN A 118 -4.706 53.036 42.742 1.00 0.00 H ATOM 1846 HB2 ASN A 118 -3.118 53.098 43.448 1.00 0.00 H ATOM 1847 HD22 ASN A 118 -4.516 52.606 46.655 1.00 0.00 H ATOM 1848 HD21 ASN A 118 -3.323 53.388 45.639 1.00 0.00 H ATOM 1849 N ARG A 119 -2.243 50.628 40.565 1.00 32.85 N ATOM 1850 CA ARG A 119 -1.659 50.706 39.232 1.00 34.55 C ATOM 1851 C ARG A 119 -1.986 49.425 38.456 1.00 33.98 C ATOM 1852 O ARG A 119 -2.497 48.452 39.018 1.00 32.93 O ATOM 1853 CB ARG A 119 -0.134 50.884 39.383 1.00 38.94 C ATOM 1854 CG ARG A 119 0.262 52.248 39.976 1.00 40.82 C ATOM 1855 CD ARG A 119 1.750 52.298 40.324 1.00 43.52 C ATOM 1856 NE ARG A 119 2.163 53.607 40.840 1.00 46.45 N ATOM 1857 CZ ARG A 119 2.584 54.652 40.109 1.00 47.78 C ATOM 1858 NH1 ARG A 119 2.584 54.616 38.769 1.00 47.94 N ATOM 1859 NH2 ARG A 119 3.011 55.754 40.738 1.00 49.29 N1+ ATOM 1860 H ARG A 119 -1.903 49.880 41.153 1.00 0.00 H ATOM 1861 HA ARG A 119 -2.069 51.548 38.671 1.00 0.00 H ATOM 1862 HB3 ARG A 119 0.359 50.776 38.415 1.00 0.00 H ATOM 1863 HB2 ARG A 119 0.264 50.083 40.008 1.00 0.00 H ATOM 1864 HG3 ARG A 119 -0.313 52.454 40.878 1.00 0.00 H ATOM 1865 HG2 ARG A 119 0.012 53.039 39.268 1.00 0.00 H ATOM 1866 HD3 ARG A 119 2.374 52.010 39.477 1.00 0.00 H ATOM 1867 HD2 ARG A 119 1.930 51.583 41.122 1.00 0.00 H ATOM 1868 HE ARG A 119 2.155 53.698 41.846 1.00 0.00 H ATOM 1869 HH12 ARG A 119 2.899 55.410 38.231 1.00 0.00 H ATOM 1870 HH11 ARG A 119 2.259 53.790 38.289 1.00 0.00 H ATOM 1871 HH22 ARG A 119 3.327 56.555 40.212 1.00 0.00 H ATOM 1872 HH21 ARG A 119 3.031 55.788 41.747 1.00 0.00 H ATOM 1873 N ASP A 120 -1.678 49.432 37.150 1.00 30.86 N ATOM 1874 CA ASP A 120 -1.815 48.285 36.258 1.00 30.62 C ATOM 1875 C ASP A 120 -0.805 47.196 36.659 1.00 30.40 C ATOM 1876 O ASP A 120 0.401 47.445 36.698 1.00 27.94 O ATOM 1877 CB ASP A 120 -1.613 48.766 34.798 1.00 28.66 C ATOM 1878 CG ASP A 120 -1.576 47.672 33.718 1.00 25.49 C ATOM 1879 OD1 ASP A 120 -2.161 46.588 33.944 1.00 25.60 O ATOM 1880 OD2 ASP A 120 -0.964 47.953 32.666 1.00 30.59 O1- ATOM 1881 H ASP A 120 -1.272 50.269 36.759 1.00 0.00 H ATOM 1882 HA ASP A 120 -2.829 47.890 36.354 1.00 0.00 H ATOM 1883 HB3 ASP A 120 -0.681 49.330 34.727 1.00 0.00 H ATOM 1884 HB2 ASP A 120 -2.407 49.464 34.532 1.00 0.00 H ATOM 1885 N VAL A 121 -1.326 45.996 36.946 1.00 29.77 N ATOM 1886 CA VAL A 121 -0.563 44.802 37.293 1.00 29.53 C ATOM 1887 C VAL A 121 -0.908 43.617 36.382 1.00 26.01 C ATOM 1888 O VAL A 121 -0.157 42.641 36.358 1.00 26.77 O ATOM 1889 CB VAL A 121 -0.660 44.478 38.807 1.00 30.39 C ATOM 1890 CG1 VAL A 121 -0.043 45.584 39.678 1.00 30.94 C ATOM 1891 CG2 VAL A 121 -2.090 44.159 39.279 1.00 31.17 C ATOM 1892 H VAL A 121 -2.331 45.906 36.915 1.00 0.00 H ATOM 1893 HA VAL A 121 0.483 45.006 37.080 1.00 0.00 H ATOM 1894 HB VAL A 121 -0.062 43.584 38.982 1.00 0.00 H ATOM 1895 HG11 VAL A 121 0.002 45.275 40.722 1.00 0.00 H ATOM 1896 HG12 VAL A 121 0.971 45.818 39.357 1.00 0.00 H ATOM 1897 HG13 VAL A 121 -0.623 46.505 39.633 1.00 0.00 H ATOM 1898 HG21 VAL A 121 -2.092 43.852 40.326 1.00 0.00 H ATOM 1899 HG22 VAL A 121 -2.741 45.030 39.191 1.00 0.00 H ATOM 1900 HG23 VAL A 121 -2.542 43.351 38.705 1.00 0.00 H ATOM 1901 N ARG A 122 -1.997 43.718 35.593 1.00 27.10 N ATOM 1902 CA ARG A 122 -2.417 42.717 34.612 1.00 27.54 C ATOM 1903 C ARG A 122 -1.355 42.533 33.517 1.00 26.42 C ATOM 1904 O ARG A 122 -1.135 41.405 33.091 1.00 29.30 O ATOM 1905 CB ARG A 122 -3.763 43.106 33.964 1.00 32.53 C ATOM 1906 CG ARG A 122 -4.919 43.322 34.959 1.00 38.24 C ATOM 1907 CD ARG A 122 -6.303 43.297 34.279 1.00 43.21 C ATOM 1908 NE ARG A 122 -7.148 44.432 34.684 1.00 45.84 N ATOM 1909 CZ ARG A 122 -8.111 44.432 35.623 1.00 49.00 C ATOM 1910 NH1 ARG A 122 -8.363 43.350 36.373 1.00 50.14 N ATOM 1911 NH2 ARG A 122 -8.832 45.544 35.817 1.00 47.08 N1+ ATOM 1912 H ARG A 122 -2.523 44.579 35.617 1.00 0.00 H ATOM 1913 HA ARG A 122 -2.541 41.766 35.134 1.00 0.00 H ATOM 1914 HB3 ARG A 122 -4.043 42.313 33.268 1.00 0.00 H ATOM 1915 HB2 ARG A 122 -3.645 44.007 33.359 1.00 0.00 H ATOM 1916 HG3 ARG A 122 -4.766 44.260 35.495 1.00 0.00 H ATOM 1917 HG2 ARG A 122 -4.893 42.537 35.715 1.00 0.00 H ATOM 1918 HD3 ARG A 122 -6.808 42.347 34.455 1.00 0.00 H ATOM 1919 HD2 ARG A 122 -6.188 43.375 33.197 1.00 0.00 H ATOM 1920 HE ARG A 122 -6.979 45.291 34.179 1.00 0.00 H ATOM 1921 HH12 ARG A 122 -9.089 43.366 37.075 1.00 0.00 H ATOM 1922 HH11 ARG A 122 -7.824 42.507 36.238 1.00 0.00 H ATOM 1923 HH22 ARG A 122 -9.558 45.568 36.518 1.00 0.00 H ATOM 1924 HH21 ARG A 122 -8.658 46.369 35.262 1.00 0.00 H ATOM 1925 N GLN A 123 -0.663 43.623 33.132 1.00 23.26 N ATOM 1926 CA GLN A 123 0.483 43.685 32.219 1.00 22.34 C ATOM 1927 C GLN A 123 1.600 42.655 32.474 1.00 20.25 C ATOM 1928 O GLN A 123 2.177 42.142 31.515 1.00 22.15 O ATOM 1929 CB GLN A 123 1.031 45.128 32.179 1.00 23.32 C ATOM 1930 CG GLN A 123 1.585 45.657 33.525 1.00 25.01 C ATOM 1931 CD GLN A 123 2.286 47.011 33.392 1.00 27.93 C ATOM 1932 OE1 GLN A 123 3.073 47.223 32.473 1.00 30.02 O ATOM 1933 NE2 GLN A 123 2.023 47.933 34.319 1.00 23.33 N ATOM 1934 H GLN A 123 -0.944 44.505 33.541 1.00 0.00 H ATOM 1935 HA GLN A 123 0.088 43.468 31.227 1.00 0.00 H ATOM 1936 HB3 GLN A 123 0.246 45.795 31.823 1.00 0.00 H ATOM 1937 HB2 GLN A 123 1.814 45.174 31.420 1.00 0.00 H ATOM 1938 HG3 GLN A 123 2.329 44.972 33.926 1.00 0.00 H ATOM 1939 HG2 GLN A 123 0.787 45.719 34.265 1.00 0.00 H ATOM 1940 HE22 GLN A 123 2.460 48.839 34.253 1.00 0.00 H ATOM 1941 HE21 GLN A 123 1.374 47.730 35.070 1.00 0.00 H ATOM 1942 N TYR A 124 1.886 42.331 33.749 1.00 20.54 N ATOM 1943 CA TYR A 124 2.950 41.405 34.148 1.00 22.21 C ATOM 1944 C TYR A 124 2.509 39.927 34.066 1.00 22.74 C ATOM 1945 O TYR A 124 3.348 39.044 34.241 1.00 22.03 O ATOM 1946 CB TYR A 124 3.395 41.713 35.593 1.00 24.40 C ATOM 1947 CG TYR A 124 3.828 43.149 35.823 1.00 25.54 C ATOM 1948 CD1 TYR A 124 5.020 43.651 35.260 1.00 24.80 C ATOM 1949 CD2 TYR A 124 3.008 44.000 36.584 1.00 23.05 C ATOM 1950 CE1 TYR A 124 5.371 45.004 35.443 1.00 25.97 C ATOM 1951 CE2 TYR A 124 3.343 45.356 36.746 1.00 22.12 C ATOM 1952 CZ TYR A 124 4.527 45.860 36.179 1.00 26.19 C ATOM 1953 OH TYR A 124 4.842 47.177 36.339 1.00 25.62 O ATOM 1954 H TYR A 124 1.353 42.771 34.487 1.00 0.00 H ATOM 1955 HA TYR A 124 3.804 41.555 33.491 1.00 0.00 H ATOM 1956 HB3 TYR A 124 4.252 41.091 35.845 1.00 0.00 H ATOM 1957 HB2 TYR A 124 2.606 41.452 36.302 1.00 0.00 H ATOM 1958 HD1 TYR A 124 5.660 43.005 34.676 1.00 0.00 H ATOM 1959 HD2 TYR A 124 2.115 43.607 37.039 1.00 0.00 H ATOM 1960 HE1 TYR A 124 6.278 45.388 35.000 1.00 0.00 H ATOM 1961 HE2 TYR A 124 2.693 46.005 37.315 1.00 0.00 H ATOM 1962 HH TYR A 124 4.138 47.668 36.735 1.00 0.00 H ATOM 1963 N VAL A 125 1.232 39.661 33.734 1.00 24.15 N ATOM 1964 CA VAL A 125 0.641 38.341 33.485 1.00 25.32 C ATOM 1965 C VAL A 125 -0.074 38.254 32.122 1.00 27.32 C ATOM 1966 O VAL A 125 -0.620 37.196 31.805 1.00 28.49 O ATOM 1967 CB VAL A 125 -0.244 37.873 34.674 1.00 25.43 C ATOM 1968 CG1 VAL A 125 0.587 37.537 35.922 1.00 24.83 C ATOM 1969 CG2 VAL A 125 -1.384 38.849 35.016 1.00 27.16 C ATOM 1970 H VAL A 125 0.610 40.450 33.620 1.00 0.00 H ATOM 1971 HA VAL A 125 1.451 37.617 33.395 1.00 0.00 H ATOM 1972 HB VAL A 125 -0.719 36.934 34.384 1.00 0.00 H ATOM 1973 HG11 VAL A 125 -0.050 37.191 36.736 1.00 0.00 H ATOM 1974 HG12 VAL A 125 1.305 36.744 35.710 1.00 0.00 H ATOM 1975 HG13 VAL A 125 1.147 38.400 36.278 1.00 0.00 H ATOM 1976 HG21 VAL A 125 -2.031 38.431 35.786 1.00 0.00 H ATOM 1977 HG22 VAL A 125 -0.998 39.798 35.390 1.00 0.00 H ATOM 1978 HG23 VAL A 125 -2.009 39.055 34.148 1.00 0.00 H ATOM 1979 N GLN A 126 -0.051 39.322 31.298 1.00 28.24 N ATOM 1980 CA GLN A 126 -0.672 39.373 29.970 1.00 28.64 C ATOM 1981 C GLN A 126 0.008 38.387 29.012 1.00 28.16 C ATOM 1982 O GLN A 126 1.230 38.400 28.866 1.00 28.61 O ATOM 1983 CB GLN A 126 -0.581 40.803 29.375 1.00 30.51 C ATOM 1984 CG AGLN A 126 -1.728 41.762 29.757 0.50 30.22 C ATOM 1985 CG BGLN A 126 -1.397 41.951 29.942 0.50 30.86 C ATOM 1986 CD AGLN A 126 -3.059 41.493 29.048 0.50 28.66 C ATOM 1987 CD BGLN A 126 -1.169 43.306 29.267 0.50 29.87 C ATOM 1988 OE1AGLN A 126 -3.414 40.354 28.756 0.50 26.85 O ATOM 1989 OE1BGLN A 126 -1.717 44.314 29.680 0.50 29.39 O ATOM 1990 NE2AGLN A 126 -3.812 42.558 28.764 0.50 30.83 N ATOM 1991 NE2BGLN A 126 -0.363 43.326 28.219 0.50 31.52 N ATOM 1992 H GLN A 126 0.408 40.163 31.621 1.00 0.00 H ATOM 1993 HA GLN A 126 -1.715 39.077 30.087 1.00 0.00 H ATOM 1994 HB3 GLN A 126 -0.548 40.759 28.285 1.00 0.00 H ATOM 1995 HB2 GLN A 126 0.371 41.252 29.661 1.00 0.00 H ATOM 1996 HG3AGLN A 126 -1.419 42.782 29.528 0.50 0.00 H ATOM 1997 HG3BGLN A 126 -1.167 42.033 31.004 0.50 0.00 H ATOM 1998 HG2AGLN A 126 -1.919 41.730 30.823 0.50 0.00 H ATOM 1999 HG2BGLN A 126 -2.458 41.704 29.907 0.50 0.00 H ATOM 2000 HE22AGLN A 126 -4.696 42.431 28.295 0.50 0.00 H ATOM 2001 HE22BGLN A 126 -0.180 44.196 27.739 0.50 0.00 H ATOM 2002 HE21AGLN A 126 -3.496 43.484 29.013 0.50 0.00 H ATOM 2003 HE21BGLN A 126 0.070 42.472 27.899 0.50 0.00 H ATOM 2004 N GLY A 127 -0.801 37.526 28.378 1.00 31.20 N ATOM 2005 CA GLY A 127 -0.358 36.504 27.436 1.00 31.48 C ATOM 2006 C GLY A 127 0.285 35.263 28.073 1.00 34.19 C ATOM 2007 O GLY A 127 0.773 34.410 27.333 1.00 35.83 O ATOM 2008 H GLY A 127 -1.793 37.588 28.557 1.00 0.00 H ATOM 2009 HA3 GLY A 127 0.342 36.939 26.722 1.00 0.00 H ATOM 2010 HA2 GLY A 127 -1.224 36.179 26.859 1.00 0.00 H ATOM 2011 N CYS A 128 0.303 35.149 29.413 1.00 35.15 N ATOM 2012 CA CYS A 128 0.881 34.007 30.123 1.00 35.96 C ATOM 2013 C CYS A 128 -0.162 32.909 30.400 1.00 36.59 C ATOM 2014 O CYS A 128 0.232 31.758 30.583 1.00 37.04 O ATOM 2015 CB CYS A 128 1.468 34.478 31.467 1.00 34.47 C ATOM 2016 SG CYS A 128 2.707 35.802 31.380 1.00 32.31 S ATOM 2017 H CYS A 128 -0.089 35.898 29.969 1.00 0.00 H ATOM 2018 HA CYS A 128 1.683 33.561 29.532 1.00 0.00 H ATOM 2019 HB3 CYS A 128 1.932 33.634 31.980 1.00 0.00 H ATOM 2020 HB2 CYS A 128 0.675 34.835 32.122 1.00 0.00 H ATOM 2021 N GLY A 129 -1.469 33.240 30.395 1.00 38.63 N ATOM 2022 CA GLY A 129 -2.588 32.304 30.546 1.00 40.00 C ATOM 2023 C GLY A 129 -2.573 31.563 31.886 1.00 42.59 C ATOM 2024 O GLY A 129 -2.345 30.355 31.921 1.00 45.12 O ATOM 2025 H GLY A 129 -1.706 34.207 30.231 1.00 0.00 H ATOM 2026 HA3 GLY A 129 -2.567 31.583 29.727 1.00 0.00 H ATOM 2027 HA2 GLY A 129 -3.523 32.857 30.453 1.00 0.00 H ATOM 2028 N VAL A 130 -2.755 32.317 32.978 1.00 44.34 N ATOM 2029 CA VAL A 130 -2.566 31.904 34.369 1.00 45.28 C ATOM 2030 C VAL A 130 -3.697 32.424 35.271 1.00 44.89 C ATOM 2031 O VAL A 130 -4.535 33.212 34.781 1.00 46.34 O ATOM 2032 CB VAL A 130 -1.147 32.294 34.863 1.00 45.75 C ATOM 2033 CG1 VAL A 130 -0.046 31.383 34.308 1.00 45.51 C ATOM 2034 CG2 VAL A 130 -0.815 33.778 34.598 1.00 48.27 C ATOM 2035 OXT VAL A 130 -3.703 32.014 36.453 1.00 46.83 O1- ATOM 2036 H VAL A 130 -2.991 33.290 32.845 1.00 0.00 H ATOM 2037 HA VAL A 130 -2.655 30.818 34.427 1.00 0.00 H ATOM 2038 HB VAL A 130 -1.129 32.133 35.940 1.00 0.00 H ATOM 2039 HG11 VAL A 130 0.916 31.616 34.766 1.00 0.00 H ATOM 2040 HG12 VAL A 130 -0.267 30.336 34.518 1.00 0.00 H ATOM 2041 HG13 VAL A 130 0.067 31.495 33.231 1.00 0.00 H ATOM 2042 HG21 VAL A 130 0.182 34.036 34.954 1.00 0.00 H ATOM 2043 HG22 VAL A 130 -0.843 34.012 33.536 1.00 0.00 H ATOM 2044 HG23 VAL A 130 -1.525 34.440 35.094 1.00 0.00 H CONECT 104 2016 CONECT 489 1813 CONECT 1040 1255 CONECT 1190 1452 CONECT 1255 1040 CONECT 1452 1190 CONECT 1813 489 CONECT 2016 104 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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