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*** nina ***elNémo ID: 22091616355068454Job options:ID = 22091616355068454 JOBID = nina 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 nina ATOM 1 N PRO A 1 4.532 2.894 -13.793 1.00 97.40 N ATOM 2 H2 PRO A 1 5.040 3.102 -12.945 1.00 97.40 H ATOM 3 H3 PRO A 1 4.636 3.675 -14.425 1.00 97.40 H ATOM 4 CA PRO A 1 3.099 2.622 -13.494 1.00 97.40 C ATOM 5 HA PRO A 1 2.474 3.141 -14.220 1.00 97.40 H ATOM 6 C PRO A 1 2.726 3.091 -12.085 1.00 97.40 C ATOM 7 CB PRO A 1 2.893 1.115 -13.657 1.00 97.40 C ATOM 8 HB2 PRO A 1 1.872 0.860 -13.941 1.00 97.40 H ATOM 9 HB3 PRO A 1 3.170 0.622 -12.725 1.00 97.40 H ATOM 10 O PRO A 1 3.581 3.018 -11.207 1.00 97.40 O ATOM 11 CG PRO A 1 3.906 0.746 -14.739 1.00 97.40 C ATOM 12 HG2 PRO A 1 3.519 0.993 -15.728 1.00 97.40 H ATOM 13 HG3 PRO A 1 4.182 -0.308 -14.701 1.00 97.40 H ATOM 14 CD PRO A 1 5.081 1.654 -14.386 1.00 97.40 C ATOM 15 HD2 PRO A 1 5.705 1.150 -13.647 1.00 97.40 H ATOM 16 HD3 PRO A 1 5.696 1.857 -15.263 1.00 97.40 H ATOM 17 N ILE A 2 1.499 3.568 -11.861 1.00 98.43 N ATOM 18 H ILE A 2 0.798 3.549 -12.587 1.00 98.43 H ATOM 19 CA ILE A 2 1.049 4.026 -10.536 1.00 98.43 C ATOM 20 HA ILE A 2 1.835 3.847 -9.802 1.00 98.43 H ATOM 21 C ILE A 2 -0.167 3.202 -10.117 1.00 98.43 C ATOM 22 CB ILE A 2 0.755 5.546 -10.515 1.00 98.43 C ATOM 23 HB ILE A 2 -0.061 5.751 -11.208 1.00 98.43 H ATOM 24 O ILE A 2 -1.128 3.108 -10.876 1.00 98.43 O ATOM 25 CG1 ILE A 2 1.997 6.352 -10.973 1.00 98.43 C ATOM 26 HG12 ILE A 2 2.831 6.153 -10.300 1.00 98.43 H ATOM 27 HG13 ILE A 2 2.288 6.027 -11.972 1.00 98.43 H ATOM 28 CG2 ILE A 2 0.312 5.982 -9.102 1.00 98.43 C ATOM 29 HG21 ILE A 2 0.046 7.039 -9.094 1.00 98.43 H ATOM 30 HG22 ILE A 2 1.109 5.805 -8.380 1.00 98.43 H ATOM 31 HG23 ILE A 2 -0.579 5.436 -8.791 1.00 98.43 H ATOM 32 CD1 ILE A 2 1.780 7.868 -11.051 1.00 98.43 C ATOM 33 HD11 ILE A 2 2.651 8.332 -11.515 1.00 98.43 H ATOM 34 HD12 ILE A 2 1.658 8.290 -10.054 1.00 98.43 H ATOM 35 HD13 ILE A 2 0.899 8.087 -11.653 1.00 98.43 H ATOM 36 N ALA A 3 -0.124 2.631 -8.915 1.00 98.51 N ATOM 37 H ALA A 3 0.713 2.741 -8.361 1.00 98.51 H ATOM 38 CA ALA A 3 -1.269 2.010 -8.263 1.00 98.51 C ATOM 39 HA ALA A 3 -2.119 2.000 -8.946 1.00 98.51 H ATOM 40 C ALA A 3 -1.661 2.821 -7.027 1.00 98.51 C ATOM 41 CB ALA A 3 -0.935 0.558 -7.920 1.00 98.51 C ATOM 42 HB1 ALA A 3 -1.789 0.085 -7.436 1.00 98.51 H ATOM 43 HB2 ALA A 3 -0.075 0.517 -7.251 1.00 98.51 H ATOM 44 HB3 ALA A 3 -0.711 0.025 -8.844 1.00 98.51 H ATOM 45 O ALA A 3 -0.817 3.124 -6.183 1.00 98.51 O ATOM 46 N GLN A 4 -2.944 3.156 -6.920 1.00 98.68 N ATOM 47 H GLN A 4 -3.587 2.859 -7.640 1.00 98.68 H ATOM 48 CA GLN A 4 -3.528 3.755 -5.724 1.00 98.68 C ATOM 49 HA GLN A 4 -2.746 4.023 -5.014 1.00 98.68 H ATOM 50 C GLN A 4 -4.437 2.728 -5.065 1.00 98.68 C ATOM 51 CB GLN A 4 -4.304 5.029 -6.072 1.00 98.68 C ATOM 52 HB2 GLN A 4 -5.039 4.813 -6.848 1.00 98.68 H ATOM 53 HB3 GLN A 4 -4.834 5.367 -5.182 1.00 98.68 H ATOM 54 O GLN A 4 -5.355 2.211 -5.701 1.00 98.68 O ATOM 55 CG GLN A 4 -3.378 6.154 -6.547 1.00 98.68 C ATOM 56 HG2 GLN A 4 -2.633 6.362 -5.780 1.00 98.68 H ATOM 57 HG3 GLN A 4 -2.866 5.854 -7.461 1.00 98.68 H ATOM 58 CD GLN A 4 -4.171 7.420 -6.828 1.00 98.68 C ATOM 59 NE2 GLN A 4 -4.470 8.219 -5.827 1.00 98.68 N ATOM 60 HE21 GLN A 4 -5.030 9.027 -6.058 1.00 98.68 H ATOM 61 HE22 GLN A 4 -4.223 7.987 -4.875 1.00 98.68 H ATOM 62 OE1 GLN A 4 -4.551 7.701 -7.949 1.00 98.68 O ATOM 63 N ILE A 5 -4.176 2.432 -3.798 1.00 98.29 N ATOM 64 H ILE A 5 -3.418 2.908 -3.330 1.00 98.29 H ATOM 65 CA ILE A 5 -4.919 1.436 -3.036 1.00 98.29 C ATOM 66 HA ILE A 5 -5.734 1.047 -3.646 1.00 98.29 H ATOM 67 C ILE A 5 -5.523 2.129 -1.827 1.00 98.29 C ATOM 68 CB ILE A 5 -4.033 0.238 -2.641 1.00 98.29 C ATOM 69 HB ILE A 5 -3.277 0.577 -1.932 1.00 98.29 H ATOM 70 O ILE A 5 -4.811 2.689 -0.996 1.00 98.29 O ATOM 71 CG1 ILE A 5 -3.328 -0.358 -3.880 1.00 98.29 C ATOM 72 HG12 ILE A 5 -4.073 -0.746 -4.574 1.00 98.29 H ATOM 73 HG13 ILE A 5 -2.761 0.418 -4.393 1.00 98.29 H ATOM 74 CG2 ILE A 5 -4.917 -0.830 -1.972 1.00 98.29 C ATOM 75 HG21 ILE A 5 -5.611 -1.254 -2.698 1.00 98.29 H ATOM 76 HG22 ILE A 5 -4.303 -1.632 -1.563 1.00 98.29 H ATOM 77 HG23 ILE A 5 -5.492 -0.401 -1.152 1.00 98.29 H ATOM 78 CD1 ILE A 5 -2.333 -1.464 -3.540 1.00 98.29 C ATOM 79 HD11 ILE A 5 -1.602 -1.103 -2.817 1.00 98.29 H ATOM 80 HD12 ILE A 5 -1.817 -1.737 -4.461 1.00 98.29 H ATOM 81 HD13 ILE A 5 -2.846 -2.342 -3.148 1.00 98.29 H ATOM 82 N HIS A 6 -6.846 2.068 -1.734 1.00 97.64 N ATOM 83 H HIS A 6 -7.358 1.530 -2.419 1.00 97.64 H ATOM 84 CA HIS A 6 -7.589 2.566 -0.589 1.00 97.64 C ATOM 85 HA HIS A 6 -6.970 3.266 -0.028 1.00 97.64 H ATOM 86 C HIS A 6 -7.933 1.384 0.312 1.00 97.64 C ATOM 87 CB HIS A 6 -8.829 3.332 -1.061 1.00 97.64 C ATOM 88 HB2 HIS A 6 -9.472 2.669 -1.640 1.00 97.64 H ATOM 89 HB3 HIS A 6 -9.387 3.665 -0.186 1.00 97.64 H ATOM 90 O HIS A 6 -8.533 0.411 -0.147 1.00 97.64 O ATOM 91 CG HIS A 6 -8.488 4.543 -1.891 1.00 97.64 C ATOM 92 CD2 HIS A 6 -8.403 5.836 -1.450 1.00 97.64 C ATOM 93 HD2 HIS A 6 -8.577 6.176 -0.440 1.00 97.64 H ATOM 94 ND1 HIS A 6 -8.185 4.551 -3.234 1.00 97.64 N ATOM 95 HD1 HIS A 6 -8.165 3.749 -3.848 1.00 97.64 H ATOM 96 CE1 HIS A 6 -7.923 5.817 -3.592 1.00 97.64 C ATOM 97 HE1 HIS A 6 -7.658 6.141 -4.588 1.00 97.64 H ATOM 98 NE2 HIS A 6 -8.042 6.637 -2.538 1.00 97.64 N ATOM 99 N ILE A 7 -7.548 1.463 1.581 1.00 97.30 N ATOM 100 H ILE A 7 -7.089 2.307 1.893 1.00 97.30 H ATOM 101 CA ILE A 7 -7.846 0.443 2.593 1.00 97.30 C ATOM 102 HA ILE A 7 -8.624 -0.216 2.209 1.00 97.30 H ATOM 103 C ILE A 7 -8.417 1.104 3.842 1.00 97.30 C ATOM 104 CB ILE A 7 -6.613 -0.433 2.923 1.00 97.30 C ATOM 105 HB ILE A 7 -6.928 -1.161 3.672 1.00 97.30 H ATOM 106 O ILE A 7 -8.196 2.288 4.082 1.00 97.30 O ATOM 107 CG1 ILE A 7 -5.447 0.382 3.526 1.00 97.30 C ATOM 108 HG12 ILE A 7 -5.802 0.908 4.412 1.00 97.30 H ATOM 109 HG13 ILE A 7 -5.108 1.128 2.808 1.00 97.30 H ATOM 110 CG2 ILE A 7 -6.163 -1.224 1.684 1.00 97.30 C ATOM 111 HG21 ILE A 7 -7.027 -1.628 1.156 1.00 97.30 H ATOM 112 HG22 ILE A 7 -5.520 -2.053 1.981 1.00 97.30 H ATOM 113 HG23 ILE A 7 -5.605 -0.564 1.019 1.00 97.30 H ATOM 114 CD1 ILE A 7 -4.247 -0.475 3.953 1.00 97.30 C ATOM 115 HD11 ILE A 7 -3.522 0.154 4.468 1.00 97.30 H ATOM 116 HD12 ILE A 7 -3.765 -0.921 3.083 1.00 97.30 H ATOM 117 HD13 ILE A 7 -4.578 -1.258 4.635 1.00 97.30 H ATOM 118 N LEU A 8 -9.139 0.338 4.657 1.00 96.81 N ATOM 119 H LEU A 8 -9.272 -0.635 4.421 1.00 96.81 H ATOM 120 CA LEU A 8 -9.424 0.764 6.025 1.00 96.81 C ATOM 121 HA LEU A 8 -9.803 1.786 6.009 1.00 96.81 H ATOM 122 C LEU A 8 -8.131 0.769 6.848 1.00 96.81 C ATOM 123 CB LEU A 8 -10.474 -0.153 6.672 1.00 96.81 C ATOM 124 HB2 LEU A 8 -10.123 -1.182 6.602 1.00 96.81 H ATOM 125 HB3 LEU A 8 -10.547 0.100 7.730 1.00 96.81 H ATOM 126 O LEU A 8 -7.274 -0.099 6.659 1.00 96.81 O ATOM 127 CG LEU A 8 -11.876 -0.048 6.050 1.00 96.81 C ATOM 128 HG LEU A 8 -11.821 -0.259 4.982 1.00 96.81 H ATOM 129 CD1 LEU A 8 -12.792 -1.089 6.694 1.00 96.81 C ATOM 130 HD11 LEU A 8 -12.366 -2.085 6.577 1.00 96.81 H ATOM 131 HD12 LEU A 8 -12.925 -0.869 7.754 1.00 96.81 H ATOM 132 HD13 LEU A 8 -13.764 -1.071 6.202 1.00 96.81 H ATOM 133 CD2 LEU A 8 -12.497 1.333 6.258 1.00 96.81 C ATOM 134 HD21 LEU A 8 -12.457 1.610 7.311 1.00 96.81 H ATOM 135 HD22 LEU A 8 -13.535 1.318 5.926 1.00 96.81 H ATOM 136 HD23 LEU A 8 -11.962 2.081 5.673 1.00 96.81 H ATOM 137 N GLU A 9 -8.032 1.718 7.772 1.00 96.62 N ATOM 138 H GLU A 9 -8.758 2.419 7.825 1.00 96.62 H ATOM 139 CA GLU A 9 -6.940 1.796 8.744 1.00 96.62 C ATOM 140 HA GLU A 9 -6.004 1.893 8.194 1.00 96.62 H ATOM 141 C GLU A 9 -6.833 0.537 9.627 1.00 96.62 C ATOM 142 CB GLU A 9 -7.110 3.064 9.603 1.00 96.62 C ATOM 143 HB2 GLU A 9 -6.181 3.252 10.141 1.00 96.62 H ATOM 144 HB3 GLU A 9 -7.301 3.910 8.942 1.00 96.62 H ATOM 145 O GLU A 9 -7.778 -0.250 9.773 1.00 96.62 O ATOM 146 CG GLU A 9 -8.258 2.935 10.623 1.00 96.62 C ATOM 147 HG2 GLU A 9 -7.996 2.179 11.363 1.00 96.62 H ATOM 148 HG3 GLU A 9 -9.153 2.593 10.102 1.00 96.62 H ATOM 149 CD GLU A 9 -8.600 4.232 11.364 1.00 96.62 C ATOM 150 OE1 GLU A 9 -9.699 4.237 11.971 1.00 96.62 O ATOM 151 OE2 GLU A 9 -7.848 5.222 11.250 1.00 96.62 O ATOM 152 N GLY A 10 -5.676 0.379 10.275 1.00 96.64 N ATOM 153 H GLY A 10 -4.949 1.060 10.104 1.00 96.64 H ATOM 154 CA GLY A 10 -5.435 -0.669 11.272 1.00 96.64 C ATOM 155 HA2 GLY A 10 -6.381 -1.012 11.692 1.00 96.64 H ATOM 156 HA3 GLY A 10 -4.845 -0.240 12.081 1.00 96.64 H ATOM 157 C GLY A 10 -4.675 -1.885 10.745 1.00 96.64 C ATOM 158 O GLY A 10 -4.672 -2.933 11.392 1.00 96.64 O ATOM 159 N ARG A 11 -4.037 -1.773 9.575 1.00 97.81 N ATOM 160 H ARG A 11 -4.048 -0.868 9.126 1.00 97.81 H ATOM 161 CA ARG A 11 -3.048 -2.755 9.106 1.00 97.81 C ATOM 162 HA ARG A 11 -3.273 -3.733 9.532 1.00 97.81 H ATOM 163 C ARG A 11 -1.672 -2.402 9.646 1.00 97.81 C ATOM 164 CB ARG A 11 -3.061 -2.862 7.572 1.00 97.81 C ATOM 165 HB2 ARG A 11 -2.732 -1.916 7.141 1.00 97.81 H ATOM 166 HB3 ARG A 11 -2.353 -3.633 7.270 1.00 97.81 H ATOM 167 O ARG A 11 -1.342 -1.223 9.758 1.00 97.81 O ATOM 168 CG ARG A 11 -4.445 -3.210 7.000 1.00 97.81 C ATOM 169 HG2 ARG A 11 -4.339 -3.436 5.939 1.00 97.81 H ATOM 170 HG3 ARG A 11 -5.103 -2.347 7.104 1.00 97.81 H ATOM 171 CD ARG A 11 -5.073 -4.411 7.718 1.00 97.81 C ATOM 172 HD2 ARG A 11 -5.191 -4.170 8.775 1.00 97.81 H ATOM 173 HD3 ARG A 11 -4.406 -5.267 7.622 1.00 97.81 H ATOM 174 NE ARG A 11 -6.400 -4.745 7.178 1.00 97.81 N ATOM 175 HE ARG A 11 -6.710 -4.208 6.381 1.00 97.81 H ATOM 176 NH1 ARG A 11 -6.927 -6.288 8.788 1.00 97.81 N ATOM 177 HH11 ARG A 11 -7.570 -6.948 9.202 1.00 97.81 H ATOM 178 HH12 ARG A 11 -6.063 -6.051 9.254 1.00 97.81 H ATOM 179 NH2 ARG A 11 -8.380 -5.866 7.142 1.00 97.81 N ATOM 180 HH21 ARG A 11 -8.642 -5.360 6.308 1.00 97.81 H ATOM 181 HH22 ARG A 11 -9.010 -6.547 7.543 1.00 97.81 H ATOM 182 CZ ARG A 11 -7.228 -5.628 7.703 1.00 97.81 C ATOM 183 N SER A 12 -0.885 -3.421 9.983 1.00 98.41 N ATOM 184 H SER A 12 -1.188 -4.367 9.801 1.00 98.41 H ATOM 185 CA SER A 12 0.483 -3.200 10.453 1.00 98.41 C ATOM 186 HA SER A 12 0.454 -2.414 11.209 1.00 98.41 H ATOM 187 C SER A 12 1.379 -2.697 9.319 1.00 98.41 C ATOM 188 CB SER A 12 1.049 -4.450 11.133 1.00 98.41 C ATOM 189 HB2 SER A 12 0.268 -4.937 11.718 1.00 98.41 H ATOM 190 HB3 SER A 12 1.839 -4.141 11.818 1.00 98.41 H ATOM 191 O SER A 12 1.045 -2.832 8.134 1.00 98.41 O ATOM 192 OG SER A 12 1.595 -5.367 10.210 1.00 98.41 O ATOM 193 HG SER A 12 2.523 -5.407 10.451 1.00 98.41 H ATOM 194 N ASP A 13 2.526 -2.122 9.669 1.00 98.28 N ATOM 195 H ASP A 13 2.789 -2.057 10.642 1.00 98.28 H ATOM 196 CA ASP A 13 3.486 -1.648 8.673 1.00 98.28 C ATOM 197 HA ASP A 13 2.970 -0.995 7.970 1.00 98.28 H ATOM 198 C ASP A 13 4.038 -2.808 7.831 1.00 98.28 C ATOM 199 CB ASP A 13 4.583 -0.815 9.353 1.00 98.28 C ATOM 200 HB2 ASP A 13 4.999 -1.379 10.187 1.00 98.28 H ATOM 201 HB3 ASP A 13 5.380 -0.641 8.631 1.00 98.28 H ATOM 202 O ASP A 13 4.151 -2.667 6.616 1.00 98.28 O ATOM 203 CG ASP A 13 4.086 0.557 9.846 1.00 98.28 C ATOM 204 OD1 ASP A 13 2.993 1.010 9.408 1.00 98.28 O ATOM 205 OD2 ASP A 13 4.813 1.175 10.650 1.00 98.28 O ATOM 206 N GLU A 14 4.224 -3.997 8.414 1.00 98.63 N ATOM 207 H GLU A 14 4.113 -4.062 9.416 1.00 98.63 H ATOM 208 CA GLU A 14 4.656 -5.205 7.694 1.00 98.63 C ATOM 209 HA GLU A 14 5.584 -4.986 7.166 1.00 98.63 H ATOM 210 C GLU A 14 3.617 -5.660 6.656 1.00 98.63 C ATOM 211 CB GLU A 14 4.908 -6.378 8.662 1.00 98.63 C ATOM 212 HB2 GLU A 14 3.963 -6.725 9.080 1.00 98.63 H ATOM 213 HB3 GLU A 14 5.306 -7.203 8.070 1.00 98.63 H ATOM 214 O GLU A 14 3.962 -6.106 5.557 1.00 98.63 O ATOM 215 CG GLU A 14 5.910 -6.108 9.798 1.00 98.63 C ATOM 216 HG2 GLU A 14 6.797 -5.633 9.377 1.00 98.63 H ATOM 217 HG3 GLU A 14 6.213 -7.070 10.210 1.00 98.63 H ATOM 218 CD GLU A 14 5.347 -5.251 10.944 1.00 98.63 C ATOM 219 OE1 GLU A 14 6.157 -4.765 11.758 1.00 98.63 O ATOM 220 OE2 GLU A 14 4.100 -5.085 11.005 1.00 98.63 O ATOM 221 N GLN A 15 2.322 -5.533 6.971 1.00 98.65 N ATOM 222 H GLN A 15 2.090 -5.141 7.873 1.00 98.65 H ATOM 223 CA GLN A 15 1.253 -5.835 6.015 1.00 98.65 C ATOM 224 HA GLN A 15 1.434 -6.819 5.583 1.00 98.65 H ATOM 225 C GLN A 15 1.239 -4.829 4.859 1.00 98.65 C ATOM 226 CB GLN A 15 -0.114 -5.847 6.712 1.00 98.65 C ATOM 227 HB2 GLN A 15 -0.259 -4.908 7.248 1.00 98.65 H ATOM 228 HB3 GLN A 15 -0.891 -5.928 5.952 1.00 98.65 H ATOM 229 O GLN A 15 1.056 -5.224 3.706 1.00 98.65 O ATOM 230 CG GLN A 15 -0.275 -7.018 7.686 1.00 98.65 C ATOM 231 HG2 GLN A 15 0.460 -6.947 8.488 1.00 98.65 H ATOM 232 HG3 GLN A 15 -0.098 -7.951 7.150 1.00 98.65 H ATOM 233 CD GLN A 15 -1.669 -7.040 8.304 1.00 98.65 C ATOM 234 NE2 GLN A 15 -2.415 -8.108 8.122 1.00 98.65 N ATOM 235 HE21 GLN A 15 -3.285 -8.138 8.635 1.00 98.65 H ATOM 236 HE22 GLN A 15 -2.025 -8.911 7.650 1.00 98.65 H ATOM 237 OE1 GLN A 15 -2.140 -6.100 8.930 1.00 98.65 O ATOM 238 N LYS A 16 1.449 -3.539 5.151 1.00 98.67 N ATOM 239 H LYS A 16 1.622 -3.297 6.117 1.00 98.67 H ATOM 240 CA LYS A 16 1.529 -2.479 4.135 1.00 98.67 C ATOM 241 HA LYS A 16 0.672 -2.562 3.466 1.00 98.67 H ATOM 242 C LYS A 16 2.767 -2.643 3.249 1.00 98.67 C ATOM 243 CB LYS A 16 1.488 -1.101 4.816 1.00 98.67 C ATOM 244 HB2 LYS A 16 2.238 -1.066 5.607 1.00 98.67 H ATOM 245 HB3 LYS A 16 1.736 -0.335 4.080 1.00 98.67 H ATOM 246 O LYS A 16 2.649 -2.520 2.032 1.00 98.67 O ATOM 247 CG LYS A 16 0.094 -0.792 5.392 1.00 98.67 C ATOM 248 HG2 LYS A 16 -0.189 -1.561 6.112 1.00 98.67 H ATOM 249 HG3 LYS A 16 -0.630 -0.816 4.578 1.00 98.67 H ATOM 250 CD LYS A 16 0.001 0.581 6.074 1.00 98.67 C ATOM 251 HD2 LYS A 16 0.339 1.359 5.390 1.00 98.67 H ATOM 252 HD3 LYS A 16 -1.043 0.769 6.324 1.00 98.67 H ATOM 253 CE LYS A 16 0.824 0.618 7.363 1.00 98.67 C ATOM 254 HE2 LYS A 16 0.503 -0.194 8.016 1.00 98.67 H ATOM 255 HE3 LYS A 16 1.876 0.455 7.129 1.00 98.67 H ATOM 256 NZ LYS A 16 0.691 1.904 8.085 1.00 98.67 N ATOM 257 HZ1 LYS A 16 0.967 2.684 7.506 1.00 98.67 H ATOM 258 HZ2 LYS A 16 1.308 1.861 8.883 1.00 98.67 H ATOM 259 HZ3 LYS A 16 -0.267 2.072 8.356 1.00 98.67 H ATOM 260 N GLU A 17 3.914 -2.998 3.825 1.00 98.65 N ATOM 261 H GLU A 17 3.956 -3.025 4.834 1.00 98.65 H ATOM 262 CA GLU A 17 5.143 -3.317 3.090 1.00 98.65 C ATOM 263 HA GLU A 17 5.420 -2.466 2.468 1.00 98.65 H ATOM 264 C GLU A 17 4.942 -4.523 2.167 1.00 98.65 C ATOM 265 CB GLU A 17 6.282 -3.576 4.088 1.00 98.65 C ATOM 266 HB2 GLU A 17 6.028 -4.435 4.709 1.00 98.65 H ATOM 267 HB3 GLU A 17 6.395 -2.700 4.726 1.00 98.65 H ATOM 268 O GLU A 17 5.239 -4.452 0.972 1.00 98.65 O ATOM 269 CG GLU A 17 7.613 -3.840 3.363 1.00 98.65 C ATOM 270 HG2 GLU A 17 7.504 -4.713 2.719 1.00 98.65 H ATOM 271 HG3 GLU A 17 7.834 -2.982 2.728 1.00 98.65 H ATOM 272 CD GLU A 17 8.795 -4.091 4.309 1.00 98.65 C ATOM 273 OE1 GLU A 17 9.924 -4.175 3.776 1.00 98.65 O ATOM 274 OE2 GLU A 17 8.567 -4.224 5.531 1.00 98.65 O ATOM 275 N THR A 18 4.356 -5.603 2.693 1.00 98.72 N ATOM 276 H THR A 18 4.177 -5.607 3.687 1.00 98.72 H ATOM 277 CA THR A 18 4.038 -6.801 1.904 1.00 98.72 C ATOM 278 HA THR A 18 4.965 -7.199 1.490 1.00 98.72 H ATOM 279 C THR A 18 3.119 -6.456 0.733 1.00 98.72 C ATOM 280 CB THR A 18 3.396 -7.886 2.780 1.00 98.72 C ATOM 281 HB THR A 18 2.479 -7.503 3.228 1.00 98.72 H ATOM 282 O THR A 18 3.389 -6.862 -0.396 1.00 98.72 O ATOM 283 CG2 THR A 18 3.078 -9.160 1.997 1.00 98.72 C ATOM 284 HG21 THR A 18 3.971 -9.515 1.482 1.00 98.72 H ATOM 285 HG22 THR A 18 2.732 -9.930 2.687 1.00 98.72 H ATOM 286 HG23 THR A 18 2.292 -8.971 1.266 1.00 98.72 H ATOM 287 OG1 THR A 18 4.284 -8.264 3.805 1.00 98.72 O ATOM 288 HG1 THR A 18 4.324 -7.548 4.443 1.00 98.72 H ATOM 289 N LEU A 19 2.071 -5.659 0.969 1.00 98.68 N ATOM 290 H LEU A 19 1.906 -5.353 1.917 1.00 98.68 H ATOM 291 CA LEU A 19 1.152 -5.211 -0.078 1.00 98.68 C ATOM 292 HA LEU A 19 0.747 -6.096 -0.569 1.00 98.68 H ATOM 293 C LEU A 19 1.862 -4.377 -1.156 1.00 98.68 C ATOM 294 CB LEU A 19 0.002 -4.433 0.585 1.00 98.68 C ATOM 295 HB2 LEU A 19 0.425 -3.609 1.159 1.00 98.68 H ATOM 296 HB3 LEU A 19 -0.508 -5.096 1.284 1.00 98.68 H ATOM 297 O LEU A 19 1.659 -4.621 -2.345 1.00 98.68 O ATOM 298 CG LEU A 19 -1.032 -3.853 -0.396 1.00 98.68 C ATOM 299 HG LEU A 19 -0.544 -3.163 -1.084 1.00 98.68 H ATOM 300 CD1 LEU A 19 -1.745 -4.942 -1.200 1.00 98.68 C ATOM 301 HD11 LEU A 19 -2.225 -5.652 -0.527 1.00 98.68 H ATOM 302 HD12 LEU A 19 -2.497 -4.490 -1.847 1.00 98.68 H ATOM 303 HD13 LEU A 19 -1.028 -5.471 -1.828 1.00 98.68 H ATOM 304 CD2 LEU A 19 -2.084 -3.073 0.391 1.00 98.68 C ATOM 305 HD21 LEU A 19 -1.601 -2.288 0.972 1.00 98.68 H ATOM 306 HD22 LEU A 19 -2.792 -2.613 -0.299 1.00 98.68 H ATOM 307 HD23 LEU A 19 -2.617 -3.740 1.068 1.00 98.68 H ATOM 308 N ILE A 20 2.705 -3.415 -0.761 1.00 98.75 N ATOM 309 H ILE A 20 2.833 -3.268 0.230 1.00 98.75 H ATOM 310 CA ILE A 20 3.482 -2.587 -1.698 1.00 98.75 C ATOM 311 HA ILE A 20 2.791 -2.084 -2.374 1.00 98.75 H ATOM 312 C ILE A 20 4.386 -3.461 -2.569 1.00 98.75 C ATOM 313 CB ILE A 20 4.291 -1.511 -0.934 1.00 98.75 C ATOM 314 HB ILE A 20 4.765 -1.981 -0.073 1.00 98.75 H ATOM 315 O ILE A 20 4.424 -3.264 -3.788 1.00 98.75 O ATOM 316 CG1 ILE A 20 3.343 -0.399 -0.438 1.00 98.75 C ATOM 317 HG12 ILE A 20 3.093 0.267 -1.264 1.00 98.75 H ATOM 318 HG13 ILE A 20 2.415 -0.851 -0.088 1.00 98.75 H ATOM 319 CG2 ILE A 20 5.398 -0.887 -1.809 1.00 98.75 C ATOM 320 HG21 ILE A 20 6.177 -1.623 -2.009 1.00 98.75 H ATOM 321 HG22 ILE A 20 4.986 -0.533 -2.754 1.00 98.75 H ATOM 322 HG23 ILE A 20 5.873 -0.055 -1.289 1.00 98.75 H ATOM 323 CD1 ILE A 20 3.919 0.432 0.715 1.00 98.75 C ATOM 324 HD11 ILE A 20 3.173 1.157 1.042 1.00 98.75 H ATOM 325 HD12 ILE A 20 4.165 -0.221 1.553 1.00 98.75 H ATOM 326 HD13 ILE A 20 4.813 0.970 0.400 1.00 98.75 H ATOM 327 N ARG A 21 5.087 -4.430 -1.968 1.00 98.76 N ATOM 328 H ARG A 21 5.013 -4.517 -0.964 1.00 98.76 H ATOM 329 CA ARG A 21 5.989 -5.340 -2.682 1.00 98.76 C ATOM 330 HA ARG A 21 6.707 -4.749 -3.251 1.00 98.76 H ATOM 331 C ARG A 21 5.232 -6.194 -3.699 1.00 98.76 C ATOM 332 CB ARG A 21 6.763 -6.187 -1.659 1.00 98.76 C ATOM 333 HB2 ARG A 21 6.060 -6.801 -1.096 1.00 98.76 H ATOM 334 HB3 ARG A 21 7.279 -5.528 -0.961 1.00 98.76 H ATOM 335 O ARG A 21 5.548 -6.142 -4.886 1.00 98.76 O ATOM 336 CG ARG A 21 7.799 -7.082 -2.355 1.00 98.76 C ATOM 337 HG2 ARG A 21 7.288 -7.708 -3.087 1.00 98.76 H ATOM 338 HG3 ARG A 21 8.510 -6.454 -2.892 1.00 98.76 H ATOM 339 CD ARG A 21 8.579 -7.984 -1.386 1.00 98.76 C ATOM 340 HD2 ARG A 21 9.152 -7.354 -0.706 1.00 98.76 H ATOM 341 HD3 ARG A 21 9.283 -8.584 -1.964 1.00 98.76 H ATOM 342 NE ARG A 21 7.699 -8.872 -0.603 1.00 98.76 N ATOM 343 HE ARG A 21 7.609 -8.674 0.383 1.00 98.76 H ATOM 344 NH1 ARG A 21 6.976 -10.233 -2.337 1.00 98.76 N ATOM 345 HH11 ARG A 21 6.240 -10.847 -2.654 1.00 98.76 H ATOM 346 HH12 ARG A 21 7.589 -9.826 -3.029 1.00 98.76 H ATOM 347 NH2 ARG A 21 6.083 -10.448 -0.332 1.00 98.76 N ATOM 348 HH21 ARG A 21 5.422 -11.023 -0.836 1.00 98.76 H ATOM 349 HH22 ARG A 21 5.934 -10.187 0.632 1.00 98.76 H ATOM 350 CZ ARG A 21 6.945 -9.842 -1.092 1.00 98.76 C ATOM 351 N GLU A 22 4.199 -6.905 -3.258 1.00 98.75 N ATOM 352 H GLU A 22 3.981 -6.869 -2.272 1.00 98.75 H ATOM 353 CA GLU A 22 3.418 -7.816 -4.107 1.00 98.75 C ATOM 354 HA GLU A 22 4.073 -8.576 -4.535 1.00 98.75 H ATOM 355 C GLU A 22 2.750 -7.085 -5.281 1.00 98.75 C ATOM 356 CB GLU A 22 2.348 -8.512 -3.251 1.00 98.75 C ATOM 357 HB2 GLU A 22 1.627 -9.006 -3.904 1.00 98.75 H ATOM 358 HB3 GLU A 22 1.802 -7.755 -2.688 1.00 98.75 H ATOM 359 O GLU A 22 2.813 -7.538 -6.425 1.00 98.75 O ATOM 360 CG GLU A 22 2.918 -9.544 -2.263 1.00 98.75 C ATOM 361 HG2 GLU A 22 3.678 -9.070 -1.642 1.00 98.75 H ATOM 362 HG3 GLU A 22 2.112 -9.866 -1.604 1.00 98.75 H ATOM 363 CD GLU A 22 3.527 -10.784 -2.934 1.00 98.75 C ATOM 364 OE1 GLU A 22 4.446 -11.369 -2.309 1.00 98.75 O ATOM 365 OE2 GLU A 22 3.080 -11.145 -4.044 1.00 98.75 O ATOM 366 N VAL A 23 2.160 -5.909 -5.038 1.00 98.66 N ATOM 367 H VAL A 23 2.131 -5.572 -4.086 1.00 98.66 H ATOM 368 CA VAL A 23 1.538 -5.103 -6.102 1.00 98.66 C ATOM 369 HA VAL A 23 0.859 -5.741 -6.669 1.00 98.66 H ATOM 370 C VAL A 23 2.586 -4.588 -7.085 1.00 98.66 C ATOM 371 CB VAL A 23 0.719 -3.949 -5.498 1.00 98.66 C ATOM 372 HB VAL A 23 1.338 -3.403 -4.786 1.00 98.66 H ATOM 373 O VAL A 23 2.358 -4.618 -8.297 1.00 98.66 O ATOM 374 CG1 VAL A 23 0.222 -2.959 -6.562 1.00 98.66 C ATOM 375 HG11 VAL A 23 -0.346 -3.488 -7.327 1.00 98.66 H ATOM 376 HG12 VAL A 23 1.067 -2.450 -7.024 1.00 98.66 H ATOM 377 HG13 VAL A 23 -0.410 -2.200 -6.099 1.00 98.66 H ATOM 378 CG2 VAL A 23 -0.502 -4.524 -4.769 1.00 98.66 C ATOM 379 HG21 VAL A 23 -0.198 -5.312 -4.081 1.00 98.66 H ATOM 380 HG22 VAL A 23 -0.984 -3.745 -4.178 1.00 98.66 H ATOM 381 HG23 VAL A 23 -1.211 -4.940 -5.484 1.00 98.66 H ATOM 382 N SER A 24 3.746 -4.147 -6.591 1.00 98.78 N ATOM 383 H SER A 24 3.900 -4.191 -5.594 1.00 98.78 H ATOM 384 CA SER A 24 4.829 -3.669 -7.454 1.00 98.78 C ATOM 385 HA SER A 24 4.426 -2.882 -8.091 1.00 98.78 H ATOM 386 C SER A 24 5.353 -4.777 -8.367 1.00 98.78 C ATOM 387 CB SER A 24 5.977 -3.071 -6.636 1.00 98.78 C ATOM 388 HB2 SER A 24 6.749 -2.714 -7.318 1.00 98.78 H ATOM 389 HB3 SER A 24 6.405 -3.829 -5.980 1.00 98.78 H ATOM 390 O SER A 24 5.494 -4.563 -9.574 1.00 98.78 O ATOM 391 OG SER A 24 5.517 -1.979 -5.868 1.00 98.78 O ATOM 392 HG SER A 24 5.106 -2.354 -5.086 1.00 98.78 H ATOM 393 N GLU A 25 5.577 -5.974 -7.819 1.00 98.80 N ATOM 394 H GLU A 25 5.443 -6.081 -6.824 1.00 98.80 H ATOM 395 CA GLU A 25 6.009 -7.159 -8.568 1.00 98.80 C ATOM 396 HA GLU A 25 6.913 -6.928 -9.131 1.00 98.80 H ATOM 397 C GLU A 25 4.945 -7.632 -9.568 1.00 98.80 C ATOM 398 CB GLU A 25 6.319 -8.304 -7.592 1.00 98.80 C ATOM 399 HB2 GLU A 25 5.474 -8.424 -6.914 1.00 98.80 H ATOM 400 HB3 GLU A 25 6.424 -9.222 -8.170 1.00 98.80 H ATOM 401 O GLU A 25 5.274 -7.982 -10.703 1.00 98.80 O ATOM 402 CG GLU A 25 7.608 -8.103 -6.774 1.00 98.80 C ATOM 403 HG2 GLU A 25 8.457 -8.105 -7.458 1.00 98.80 H ATOM 404 HG3 GLU A 25 7.579 -7.131 -6.282 1.00 98.80 H ATOM 405 CD GLU A 25 7.798 -9.208 -5.716 1.00 98.80 C ATOM 406 OE1 GLU A 25 8.603 -9.009 -4.776 1.00 98.80 O ATOM 407 OE2 GLU A 25 7.130 -10.256 -5.824 1.00 98.80 O ATOM 408 N ALA A 26 3.664 -7.628 -9.187 1.00 98.77 N ATOM 409 H ALA A 26 3.444 -7.392 -8.230 1.00 98.77 H ATOM 410 CA ALA A 26 2.567 -7.997 -10.080 1.00 98.77 C ATOM 411 HA ALA A 26 2.750 -9.000 -10.465 1.00 98.77 H ATOM 412 C ALA A 26 2.475 -7.051 -11.285 1.00 98.77 C ATOM 413 CB ALA A 26 1.259 -8.021 -9.281 1.00 98.77 C ATOM 414 HB1 ALA A 26 0.436 -8.318 -9.930 1.00 98.77 H ATOM 415 HB2 ALA A 26 1.052 -7.034 -8.868 1.00 98.77 H ATOM 416 HB3 ALA A 26 1.339 -8.735 -8.461 1.00 98.77 H ATOM 417 O ALA A 26 2.378 -7.511 -12.424 1.00 98.77 O ATOM 418 N ILE A 27 2.561 -5.739 -11.054 1.00 98.74 N ATOM 419 H ILE A 27 2.631 -5.433 -10.094 1.00 98.74 H ATOM 420 CA ILE A 27 2.528 -4.725 -12.114 1.00 98.74 C ATOM 421 HA ILE A 27 1.659 -4.903 -12.749 1.00 98.74 H ATOM 422 C ILE A 27 3.761 -4.822 -13.011 1.00 98.74 C ATOM 423 CB ILE A 27 2.395 -3.326 -11.483 1.00 98.74 C ATOM 424 HB ILE A 27 3.127 -3.236 -10.681 1.00 98.74 H ATOM 425 O ILE A 27 3.623 -4.804 -14.233 1.00 98.74 O ATOM 426 CG1 ILE A 27 0.979 -3.161 -10.892 1.00 98.74 C ATOM 427 HG12 ILE A 27 0.744 -4.019 -10.262 1.00 98.74 H ATOM 428 HG13 ILE A 27 0.245 -3.137 -11.697 1.00 98.74 H ATOM 429 CG2 ILE A 27 2.661 -2.207 -12.502 1.00 98.74 C ATOM 430 HG21 ILE A 27 3.694 -2.238 -12.848 1.00 98.74 H ATOM 431 HG22 ILE A 27 2.497 -1.247 -12.013 1.00 98.74 H ATOM 432 HG23 ILE A 27 1.983 -2.313 -13.349 1.00 98.74 H ATOM 433 CD1 ILE A 27 0.817 -1.908 -10.029 1.00 98.74 C ATOM 434 HD11 ILE A 27 1.642 -1.829 -9.321 1.00 98.74 H ATOM 435 HD12 ILE A 27 0.771 -1.012 -10.648 1.00 98.74 H ATOM 436 HD13 ILE A 27 -0.117 -2.001 -9.475 1.00 98.74 H ATOM 437 N SER A 28 4.952 -4.939 -12.416 1.00 98.71 N ATOM 438 H SER A 28 4.991 -4.941 -11.407 1.00 98.71 H ATOM 439 CA SER A 28 6.208 -5.076 -13.159 1.00 98.71 C ATOM 440 HA SER A 28 6.346 -4.191 -13.780 1.00 98.71 H ATOM 441 C SER A 28 6.168 -6.289 -14.090 1.00 98.71 C ATOM 442 CB SER A 28 7.379 -5.155 -12.175 1.00 98.71 C ATOM 443 HB2 SER A 28 7.232 -5.994 -11.494 1.00 98.71 H ATOM 444 HB3 SER A 28 7.413 -4.236 -11.590 1.00 98.71 H ATOM 445 O SER A 28 6.413 -6.134 -15.283 1.00 98.71 O ATOM 446 OG SER A 28 8.612 -5.321 -12.841 1.00 98.71 O ATOM 447 HG SER A 28 8.642 -4.733 -13.599 1.00 98.71 H ATOM 448 N ARG A 29 5.752 -7.461 -13.583 1.00 98.57 N ATOM 449 H ARG A 29 5.559 -7.509 -12.593 1.00 98.57 H ATOM 450 CA ARG A 29 5.621 -8.690 -14.385 1.00 98.57 C ATOM 451 HA ARG A 29 6.549 -8.860 -14.929 1.00 98.57 H ATOM 452 C ARG A 29 4.539 -8.608 -15.459 1.00 98.57 C ATOM 453 CB ARG A 29 5.332 -9.894 -13.476 1.00 98.57 C ATOM 454 HB2 ARG A 29 5.029 -10.731 -14.105 1.00 98.57 H ATOM 455 HB3 ARG A 29 4.503 -9.655 -12.810 1.00 98.57 H ATOM 456 O ARG A 29 4.746 -9.106 -16.556 1.00 98.57 O ATOM 457 CG ARG A 29 6.558 -10.334 -12.664 1.00 98.57 C ATOM 458 HG2 ARG A 29 6.846 -9.559 -11.953 1.00 98.57 H ATOM 459 HG3 ARG A 29 7.392 -10.495 -13.347 1.00 98.57 H ATOM 460 CD ARG A 29 6.287 -11.649 -11.920 1.00 98.57 C ATOM 461 HD2 ARG A 29 6.015 -12.409 -12.652 1.00 98.57 H ATOM 462 HD3 ARG A 29 7.210 -11.957 -11.427 1.00 98.57 H ATOM 463 NE ARG A 29 5.222 -11.515 -10.905 1.00 98.57 N ATOM 464 HE ARG A 29 4.999 -10.572 -10.619 1.00 98.57 H ATOM 465 NH1 ARG A 29 4.879 -13.756 -10.531 1.00 98.57 N ATOM 466 HH11 ARG A 29 5.575 -13.967 -11.232 1.00 98.57 H ATOM 467 HH12 ARG A 29 4.439 -14.489 -9.992 1.00 98.57 H ATOM 468 NH2 ARG A 29 3.756 -12.255 -9.324 1.00 98.57 N ATOM 469 HH21 ARG A 29 3.650 -11.310 -8.983 1.00 98.57 H ATOM 470 HH22 ARG A 29 3.388 -13.000 -8.750 1.00 98.57 H ATOM 471 CZ ARG A 29 4.621 -12.504 -10.265 1.00 98.57 C ATOM 472 N SER A 30 3.385 -8.017 -15.150 1.00 98.62 N ATOM 473 H SER A 30 3.269 -7.646 -14.217 1.00 98.62 H ATOM 474 CA SER A 30 2.235 -8.021 -16.069 1.00 98.62 C ATOM 475 HA SER A 30 2.122 -9.019 -16.493 1.00 98.62 H ATOM 476 C SER A 30 2.393 -7.051 -17.237 1.00 98.62 C ATOM 477 CB SER A 30 0.939 -7.677 -15.332 1.00 98.62 C ATOM 478 HB2 SER A 30 0.989 -6.655 -14.957 1.00 98.62 H ATOM 479 HB3 SER A 30 0.104 -7.754 -16.029 1.00 98.62 H ATOM 480 O SER A 30 1.796 -7.265 -18.287 1.00 98.62 O ATOM 481 OG SER A 30 0.721 -8.563 -14.254 1.00 98.62 O ATOM 482 HG SER A 30 1.305 -8.291 -13.542 1.00 98.62 H ATOM 483 N LEU A 31 3.154 -5.971 -17.045 1.00 98.37 N ATOM 484 H LEU A 31 3.602 -5.851 -16.147 1.00 98.37 H ATOM 485 CA LEU A 31 3.309 -4.895 -18.029 1.00 98.37 C ATOM 486 HA LEU A 31 2.678 -5.101 -18.894 1.00 98.37 H ATOM 487 C LEU A 31 4.729 -4.785 -18.597 1.00 98.37 C ATOM 488 CB LEU A 31 2.850 -3.561 -17.406 1.00 98.37 C ATOM 489 HB2 LEU A 31 3.524 -3.319 -16.585 1.00 98.37 H ATOM 490 HB3 LEU A 31 2.953 -2.780 -18.160 1.00 98.37 H ATOM 491 O LEU A 31 5.003 -3.820 -19.304 1.00 98.37 O ATOM 492 CG LEU A 31 1.403 -3.532 -16.886 1.00 98.37 C ATOM 493 HG LEU A 31 1.292 -4.239 -16.064 1.00 98.37 H ATOM 494 CD1 LEU A 31 1.095 -2.129 -16.356 1.00 98.37 C ATOM 495 HD11 LEU A 31 1.118 -1.411 -17.176 1.00 98.37 H ATOM 496 HD12 LEU A 31 0.106 -2.124 -15.897 1.00 98.37 H ATOM 497 HD13 LEU A 31 1.839 -1.852 -15.610 1.00 98.37 H ATOM 498 CD2 LEU A 31 0.374 -3.861 -17.969 1.00 98.37 C ATOM 499 HD21 LEU A 31 -0.634 -3.753 -17.570 1.00 98.37 H ATOM 500 HD22 LEU A 31 0.503 -3.197 -18.824 1.00 98.37 H ATOM 501 HD23 LEU A 31 0.498 -4.892 -18.300 1.00 98.37 H ATOM 502 N ASP A 32 5.623 -5.717 -18.252 1.00 98.13 N ATOM 503 H ASP A 32 5.312 -6.498 -17.692 1.00 98.13 H ATOM 504 CA ASP A 32 7.054 -5.673 -18.594 1.00 98.13 C ATOM 505 HA ASP A 32 7.544 -6.399 -17.945 1.00 98.13 H ATOM 506 C ASP A 32 7.705 -4.312 -18.263 1.00 98.13 C ATOM 507 CB ASP A 32 7.267 -6.154 -20.039 1.00 98.13 C ATOM 508 HB2 ASP A 32 6.666 -7.048 -20.205 1.00 98.13 H ATOM 509 HB3 ASP A 32 6.926 -5.384 -20.731 1.00 98.13 H ATOM 510 O ASP A 32 8.489 -3.734 -19.015 1.00 98.13 O ATOM 511 CG ASP A 32 8.728 -6.510 -20.335 1.00 98.13 C ATOM 512 OD1 ASP A 32 9.422 -6.964 -19.393 1.00 98.13 O ATOM 513 OD2 ASP A 32 9.119 -6.392 -21.518 1.00 98.13 O ATOM 514 N ALA A 33 7.315 -3.741 -17.119 1.00 98.44 N ATOM 515 H ALA A 33 6.727 -4.297 -16.515 1.00 98.44 H ATOM 516 CA ALA A 33 7.805 -2.447 -16.663 1.00 98.44 C ATOM 517 HA ALA A 33 8.198 -1.907 -17.525 1.00 98.44 H ATOM 518 C ALA A 33 8.925 -2.644 -15.631 1.00 98.44 C ATOM 519 CB ALA A 33 6.638 -1.620 -16.112 1.00 98.44 C ATOM 520 HB1 ALA A 33 5.884 -1.501 -16.890 1.00 98.44 H ATOM 521 HB2 ALA A 33 6.194 -2.130 -15.257 1.00 98.44 H ATOM 522 HB3 ALA A 33 6.999 -0.638 -15.804 1.00 98.44 H ATOM 523 O ALA A 33 8.768 -3.475 -14.731 1.00 98.44 O ATOM 524 N PRO A 34 10.013 -1.845 -15.654 1.00 98.53 N ATOM 525 CA PRO A 34 11.033 -1.901 -14.613 1.00 98.53 C ATOM 526 HA PRO A 34 11.522 -2.875 -14.654 1.00 98.53 H ATOM 527 C PRO A 34 10.407 -1.681 -13.237 1.00 98.53 C ATOM 528 CB PRO A 34 12.047 -0.800 -14.953 1.00 98.53 C ATOM 529 HB2 PRO A 34 11.795 0.128 -14.440 1.00 98.53 H ATOM 530 HB3 PRO A 34 13.065 -1.102 -14.709 1.00 98.53 H ATOM 531 O PRO A 34 9.671 -0.707 -13.049 1.00 98.53 O ATOM 532 CG PRO A 34 11.865 -0.603 -16.458 1.00 98.53 C ATOM 533 HG2 PRO A 34 12.452 -1.348 -16.995 1.00 98.53 H ATOM 534 HG3 PRO A 34 12.141 0.403 -16.774 1.00 98.53 H ATOM 535 CD PRO A 34 10.379 -0.878 -16.678 1.00 98.53 C ATOM 536 HD2 PRO A 34 10.227 -1.280 -17.680 1.00 98.53 H ATOM 537 HD3 PRO A 34 9.801 0.036 -16.541 1.00 98.53 H ATOM 538 N LEU A 35 10.720 -2.539 -12.262 1.00 98.40 N ATOM 539 H LEU A 35 11.238 -3.370 -12.508 1.00 98.40 H ATOM 540 CA LEU A 35 10.173 -2.449 -10.901 1.00 98.40 C ATOM 541 HA LEU A 35 9.097 -2.615 -10.957 1.00 98.40 H ATOM 542 C LEU A 35 10.408 -1.059 -10.279 1.00 98.40 C ATOM 543 CB LEU A 35 10.818 -3.565 -10.058 1.00 98.40 C ATOM 544 HB2 LEU A 35 10.718 -4.511 -10.591 1.00 98.40 H ATOM 545 HB3 LEU A 35 11.882 -3.353 -9.955 1.00 98.40 H ATOM 546 O LEU A 35 9.532 -0.493 -9.633 1.00 98.40 O ATOM 547 CG LEU A 35 10.210 -3.739 -8.654 1.00 98.40 C ATOM 548 HG LEU A 35 10.230 -2.787 -8.122 1.00 98.40 H ATOM 549 CD1 LEU A 35 8.770 -4.248 -8.721 1.00 98.40 C ATOM 550 HD11 LEU A 35 8.414 -4.464 -7.714 1.00 98.40 H ATOM 551 HD12 LEU A 35 8.723 -5.164 -9.310 1.00 98.40 H ATOM 552 HD13 LEU A 35 8.121 -3.494 -9.165 1.00 98.40 H ATOM 553 CD2 LEU A 35 11.036 -4.748 -7.859 1.00 98.40 C ATOM 554 HD21 LEU A 35 11.018 -5.720 -8.352 1.00 98.40 H ATOM 555 HD22 LEU A 35 12.066 -4.405 -7.771 1.00 98.40 H ATOM 556 HD23 LEU A 35 10.620 -4.857 -6.857 1.00 98.40 H ATOM 557 N THR A 36 11.556 -0.451 -10.581 1.00 98.39 N ATOM 558 H THR A 36 12.205 -0.948 -11.174 1.00 98.39 H ATOM 559 CA THR A 36 11.947 0.904 -10.154 1.00 98.39 C ATOM 560 HA THR A 36 11.898 0.955 -9.067 1.00 98.39 H ATOM 561 C THR A 36 11.049 2.021 -10.700 1.00 98.39 C ATOM 562 CB THR A 36 13.389 1.191 -10.594 1.00 98.39 C ATOM 563 HB THR A 36 13.645 2.223 -10.353 1.00 98.39 H ATOM 564 O THR A 36 11.052 3.128 -10.156 1.00 98.39 O ATOM 565 CG2 THR A 36 14.399 0.266 -9.916 1.00 98.39 C ATOM 566 HG21 THR A 36 15.409 0.529 -10.229 1.00 98.39 H ATOM 567 HG22 THR A 36 14.331 0.381 -8.834 1.00 98.39 H ATOM 568 HG23 THR A 36 14.207 -0.776 -10.175 1.00 98.39 H ATOM 569 OG1 THR A 36 13.509 0.992 -11.985 1.00 98.39 O ATOM 570 HG1 THR A 36 14.430 1.124 -12.220 1.00 98.39 H ATOM 571 N SER A 37 10.259 1.757 -11.747 1.00 98.41 N ATOM 572 H SER A 37 10.297 0.822 -12.126 1.00 98.41 H ATOM 573 CA SER A 37 9.276 2.686 -12.329 1.00 98.41 C ATOM 574 HA SER A 37 9.613 3.706 -12.146 1.00 98.41 H ATOM 575 C SER A 37 7.872 2.557 -11.720 1.00 98.41 C ATOM 576 CB SER A 37 9.205 2.494 -13.849 1.00 98.41 C ATOM 577 HB2 SER A 37 8.734 3.371 -14.291 1.00 98.41 H ATOM 578 HB3 SER A 37 10.211 2.399 -14.259 1.00 98.41 H ATOM 579 O SER A 37 6.976 3.346 -12.044 1.00 98.41 O ATOM 580 OG SER A 37 8.435 1.355 -14.190 1.00 98.41 O ATOM 581 HG SER A 37 8.878 0.572 -13.854 1.00 98.41 H ATOM 582 N VAL A 38 7.647 1.557 -10.861 1.00 98.67 N ATOM 583 H VAL A 38 8.408 0.943 -10.605 1.00 98.67 H ATOM 584 CA VAL A 38 6.358 1.335 -10.204 1.00 98.67 C ATOM 585 HA VAL A 38 5.579 1.677 -10.887 1.00 98.67 H ATOM 586 C VAL A 38 6.270 2.191 -8.940 1.00 98.67 C ATOM 587 CB VAL A 38 6.074 -0.160 -9.950 1.00 98.67 C ATOM 588 HB VAL A 38 6.773 -0.555 -9.212 1.00 98.67 H ATOM 589 O VAL A 38 7.240 2.357 -8.199 1.00 98.67 O ATOM 590 CG1 VAL A 38 4.640 -0.337 -9.433 1.00 98.67 C ATOM 591 HG11 VAL A 38 4.347 -1.385 -9.502 1.00 98.67 H ATOM 592 HG12 VAL A 38 4.581 -0.034 -8.387 1.00 98.67 H ATOM 593 HG13 VAL A 38 3.937 0.247 -10.026 1.00 98.67 H ATOM 594 CG2 VAL A 38 6.202 -0.978 -11.246 1.00 98.67 C ATOM 595 HG21 VAL A 38 5.968 -2.023 -11.044 1.00 98.67 H ATOM 596 HG22 VAL A 38 5.522 -0.598 -12.009 1.00 98.67 H ATOM 597 HG23 VAL A 38 7.225 -0.939 -11.618 1.00 98.67 H ATOM 598 N ARG A 39 5.108 2.804 -8.716 1.00 98.71 N ATOM 599 H ARG A 39 4.371 2.677 -9.394 1.00 98.71 H ATOM 600 CA ARG A 39 4.774 3.540 -7.493 1.00 98.71 C ATOM 601 HA ARG A 39 5.537 3.367 -6.735 1.00 98.71 H ATOM 602 C ARG A 39 3.467 2.983 -6.951 1.00 98.71 C ATOM 603 CB ARG A 39 4.658 5.050 -7.777 1.00 98.71 C ATOM 604 HB2 ARG A 39 4.335 5.558 -6.868 1.00 98.71 H ATOM 605 HB3 ARG A 39 3.882 5.199 -8.528 1.00 98.71 H ATOM 606 O ARG A 39 2.489 2.901 -7.692 1.00 98.71 O ATOM 607 CG ARG A 39 5.949 5.713 -8.283 1.00 98.71 C ATOM 608 HG2 ARG A 39 6.317 5.182 -9.160 1.00 98.71 H ATOM 609 HG3 ARG A 39 5.716 6.735 -8.583 1.00 98.71 H ATOM 610 CD ARG A 39 7.043 5.761 -7.206 1.00 98.71 C ATOM 611 HD2 ARG A 39 7.242 4.756 -6.835 1.00 98.71 H ATOM 612 HD3 ARG A 39 6.684 6.357 -6.367 1.00 98.71 H ATOM 613 NE ARG A 39 8.288 6.359 -7.728 1.00 98.71 N ATOM 614 HE ARG A 39 8.420 7.349 -7.575 1.00 98.71 H ATOM 615 NH1 ARG A 39 9.202 4.425 -8.572 1.00 98.71 N ATOM 616 HH11 ARG A 39 9.949 3.954 -9.063 1.00 98.71 H ATOM 617 HH12 ARG A 39 8.437 3.860 -8.232 1.00 98.71 H ATOM 618 NH2 ARG A 39 10.309 6.332 -8.790 1.00 98.71 N ATOM 619 HH21 ARG A 39 10.436 7.320 -8.622 1.00 98.71 H ATOM 620 HH22 ARG A 39 11.026 5.787 -9.248 1.00 98.71 H ATOM 621 CZ ARG A 39 9.252 5.707 -8.354 1.00 98.71 C ATOM 622 N VAL A 40 3.455 2.621 -5.675 1.00 98.69 N ATOM 623 H VAL A 40 4.297 2.721 -5.125 1.00 98.69 H ATOM 624 CA VAL A 40 2.254 2.180 -4.961 1.00 98.69 C ATOM 625 HA VAL A 40 1.402 2.176 -5.641 1.00 98.69 H ATOM 626 C VAL A 40 1.980 3.189 -3.859 1.00 98.69 C ATOM 627 CB VAL A 40 2.398 0.751 -4.406 1.00 98.69 C ATOM 628 HB VAL A 40 3.212 0.725 -3.682 1.00 98.69 H ATOM 629 O VAL A 40 2.859 3.482 -3.053 1.00 98.69 O ATOM 630 CG1 VAL A 40 1.103 0.300 -3.719 1.00 98.69 C ATOM 631 HG11 VAL A 40 1.199 -0.734 -3.387 1.00 98.69 H ATOM 632 HG12 VAL A 40 0.264 0.372 -4.411 1.00 98.69 H ATOM 633 HG13 VAL A 40 0.903 0.917 -2.843 1.00 98.69 H ATOM 634 CG2 VAL A 40 2.710 -0.245 -5.530 1.00 98.69 C ATOM 635 HG21 VAL A 40 2.768 -1.254 -5.121 1.00 98.69 H ATOM 636 HG22 VAL A 40 3.674 -0.013 -5.982 1.00 98.69 H ATOM 637 HG23 VAL A 40 1.935 -0.211 -6.295 1.00 98.69 H ATOM 638 N ILE A 41 0.773 3.743 -3.855 1.00 98.69 N ATOM 639 H ILE A 41 0.113 3.459 -4.564 1.00 98.69 H ATOM 640 CA ILE A 41 0.313 4.705 -2.856 1.00 98.69 C ATOM 641 HA ILE A 41 1.122 4.936 -2.163 1.00 98.69 H ATOM 642 C ILE A 41 -0.813 4.033 -2.080 1.00 98.69 C ATOM 643 CB ILE A 41 -0.134 6.026 -3.522 1.00 98.69 C ATOM 644 HB ILE A 41 -0.972 5.807 -4.184 1.00 98.69 H ATOM 645 O ILE A 41 -1.838 3.678 -2.663 1.00 98.69 O ATOM 646 CG1 ILE A 41 1.006 6.643 -4.369 1.00 98.69 C ATOM 647 HG12 ILE A 41 1.400 5.895 -5.057 1.00 98.69 H ATOM 648 HG13 ILE A 41 1.818 6.955 -3.713 1.00 98.69 H ATOM 649 CG2 ILE A 41 -0.612 7.017 -2.442 1.00 98.69 C ATOM 650 HG21 ILE A 41 -0.974 7.938 -2.899 1.00 98.69 H ATOM 651 HG22 ILE A 41 0.204 7.254 -1.758 1.00 98.69 H ATOM 652 HG23 ILE A 41 -1.440 6.596 -1.872 1.00 98.69 H ATOM 653 CD1 ILE A 41 0.569 7.834 -5.231 1.00 98.69 C ATOM 654 HD11 ILE A 41 0.295 8.683 -4.604 1.00 98.69 H ATOM 655 HD12 ILE A 41 -0.278 7.551 -5.856 1.00 98.69 H ATOM 656 HD13 ILE A 41 1.397 8.134 -5.874 1.00 98.69 H ATOM 657 N ILE A 42 -0.614 3.857 -0.775 1.00 98.56 N ATOM 658 H ILE A 42 0.245 4.193 -0.363 1.00 98.56 H ATOM 659 CA ILE A 42 -1.656 3.388 0.138 1.00 98.56 C ATOM 660 HA ILE A 42 -2.422 2.863 -0.433 1.00 98.56 H ATOM 661 C ILE A 42 -2.304 4.612 0.781 1.00 98.56 C ATOM 662 CB ILE A 42 -1.100 2.384 1.173 1.00 98.56 C ATOM 663 HB ILE A 42 -0.279 2.853 1.715 1.00 98.56 H ATOM 664 O ILE A 42 -1.621 5.450 1.368 1.00 98.56 O ATOM 665 CG1 ILE A 42 -0.571 1.121 0.450 1.00 98.56 C ATOM 666 HG12 ILE A 42 -1.392 0.643 -0.084 1.00 98.56 H ATOM 667 HG13 ILE A 42 0.182 1.411 -0.284 1.00 98.56 H ATOM 668 CG2 ILE A 42 -2.199 2.000 2.184 1.00 98.56 C ATOM 669 HG21 ILE A 42 -3.020 1.496 1.673 1.00 98.56 H ATOM 670 HG22 ILE A 42 -2.583 2.883 2.696 1.00 98.56 H ATOM 671 HG23 ILE A 42 -1.797 1.350 2.961 1.00 98.56 H ATOM 672 CD1 ILE A 42 0.077 0.085 1.376 1.00 98.56 C ATOM 673 HD11 ILE A 42 -0.640 -0.294 2.104 1.00 98.56 H ATOM 674 HD12 ILE A 42 0.927 0.529 1.895 1.00 98.56 H ATOM 675 HD13 ILE A 42 0.417 -0.764 0.782 1.00 98.56 H ATOM 676 N THR A 43 -3.625 4.706 0.675 1.00 98.15 N ATOM 677 H THR A 43 -4.111 3.999 0.142 1.00 98.15 H ATOM 678 CA THR A 43 -4.439 5.686 1.395 1.00 98.15 C ATOM 679 HA THR A 43 -3.792 6.370 1.944 1.00 98.15 H ATOM 680 C THR A 43 -5.296 4.943 2.409 1.00 98.15 C ATOM 681 CB THR A 43 -5.281 6.525 0.426 1.00 98.15 C ATOM 682 HB THR A 43 -5.955 5.876 -0.134 1.00 98.15 H ATOM 683 O THR A 43 -6.170 4.155 2.045 1.00 98.15 O ATOM 684 CG2 THR A 43 -6.094 7.600 1.148 1.00 98.15 C ATOM 685 HG21 THR A 43 -6.622 8.205 0.411 1.00 98.15 H ATOM 686 HG22 THR A 43 -6.830 7.135 1.804 1.00 98.15 H ATOM 687 HG23 THR A 43 -5.438 8.239 1.739 1.00 98.15 H ATOM 688 OG1 THR A 43 -4.424 7.192 -0.478 1.00 98.15 O ATOM 689 HG1 THR A 43 -3.683 7.528 0.031 1.00 98.15 H ATOM 690 N GLU A 44 -5.023 5.179 3.690 1.00 97.73 N ATOM 691 H GLU A 44 -4.289 5.828 3.932 1.00 97.73 H ATOM 692 CA GLU A 44 -5.785 4.595 4.792 1.00 97.73 C ATOM 693 HA GLU A 44 -6.158 3.619 4.482 1.00 97.73 H ATOM 694 C GLU A 44 -6.998 5.477 5.113 1.00 97.73 C ATOM 695 CB GLU A 44 -4.889 4.353 6.022 1.00 97.73 C ATOM 696 HB2 GLU A 44 -4.474 5.300 6.368 1.00 97.73 H ATOM 697 HB3 GLU A 44 -5.505 3.932 6.817 1.00 97.73 H ATOM 698 O GLU A 44 -6.888 6.698 5.238 1.00 97.73 O ATOM 699 CG GLU A 44 -3.741 3.375 5.711 1.00 97.73 C ATOM 700 HG2 GLU A 44 -3.062 3.839 4.995 1.00 97.73 H ATOM 701 HG3 GLU A 44 -4.158 2.488 5.235 1.00 97.73 H ATOM 702 CD GLU A 44 -2.948 2.941 6.957 1.00 97.73 C ATOM 703 OE1 GLU A 44 -3.481 2.107 7.726 1.00 97.73 O ATOM 704 OE2 GLU A 44 -1.772 3.356 7.101 1.00 97.73 O ATOM 705 N MET A 45 -8.169 4.856 5.227 1.00 97.02 N ATOM 706 H MET A 45 -8.195 3.861 5.054 1.00 97.02 H ATOM 707 CA MET A 45 -9.423 5.514 5.575 1.00 97.02 C ATOM 708 HA MET A 45 -9.288 6.596 5.554 1.00 97.02 H ATOM 709 C MET A 45 -9.834 5.109 6.984 1.00 97.02 C ATOM 710 CB MET A 45 -10.522 5.158 4.566 1.00 97.02 C ATOM 711 HB2 MET A 45 -11.463 5.607 4.883 1.00 97.02 H ATOM 712 HB3 MET A 45 -10.643 4.075 4.552 1.00 97.02 H ATOM 713 O MET A 45 -9.978 3.919 7.282 1.00 97.02 O ATOM 714 CG MET A 45 -10.186 5.661 3.157 1.00 97.02 C ATOM 715 HG2 MET A 45 -10.134 6.750 3.181 1.00 97.02 H ATOM 716 HG3 MET A 45 -9.204 5.286 2.869 1.00 97.02 H ATOM 717 SD MET A 45 -11.361 5.171 1.868 1.00 97.02 S ATOM 718 CE MET A 45 -11.158 3.368 1.932 1.00 97.02 C ATOM 719 HE1 MET A 45 -11.645 2.973 2.824 1.00 97.02 H ATOM 720 HE2 MET A 45 -11.614 2.917 1.051 1.00 97.02 H ATOM 721 HE3 MET A 45 -10.098 3.116 1.962 1.00 97.02 H ATOM 722 N ALA A 46 -10.085 6.108 7.828 1.00 96.99 N ATOM 723 H ALA A 46 -9.876 7.058 7.555 1.00 96.99 H ATOM 724 CA ALA A 46 -10.722 5.877 9.112 1.00 96.99 C ATOM 725 HA ALA A 46 -10.093 5.188 9.676 1.00 96.99 H ATOM 726 C ALA A 46 -12.090 5.217 8.910 1.00 96.99 C ATOM 727 CB ALA A 46 -10.821 7.190 9.893 1.00 96.99 C ATOM 728 HB1 ALA A 46 -11.462 7.899 9.368 1.00 96.99 H ATOM 729 HB2 ALA A 46 -11.232 6.994 10.883 1.00 96.99 H ATOM 730 HB3 ALA A 46 -9.825 7.615 10.019 1.00 96.99 H ATOM 731 O ALA A 46 -12.821 5.547 7.971 1.00 96.99 O ATOM 732 N LYS A 47 -12.474 4.304 9.806 1.00 95.22 N ATOM 733 H LYS A 47 -11.826 4.079 10.547 1.00 95.22 H ATOM 734 CA LYS A 47 -13.727 3.536 9.653 1.00 95.22 C ATOM 735 HA LYS A 47 -13.703 3.014 8.697 1.00 95.22 H ATOM 736 C LYS A 47 -14.985 4.416 9.611 1.00 95.22 C ATOM 737 CB LYS A 47 -13.840 2.504 10.774 1.00 95.22 C ATOM 738 HB2 LYS A 47 -14.802 2.003 10.664 1.00 95.22 H ATOM 739 HB3 LYS A 47 -13.815 3.009 11.739 1.00 95.22 H ATOM 740 O LYS A 47 -15.966 4.056 8.971 1.00 95.22 O ATOM 741 CG LYS A 47 -12.755 1.425 10.727 1.00 95.22 C ATOM 742 HG2 LYS A 47 -12.771 0.931 9.756 1.00 95.22 H ATOM 743 HG3 LYS A 47 -11.775 1.873 10.892 1.00 95.22 H ATOM 744 CD LYS A 47 -13.043 0.400 11.827 1.00 95.22 C ATOM 745 HD2 LYS A 47 -14.019 -0.052 11.649 1.00 95.22 H ATOM 746 HD3 LYS A 47 -13.053 0.907 12.792 1.00 95.22 H ATOM 747 CE LYS A 47 -11.970 -0.686 11.831 1.00 95.22 C ATOM 748 HE2 LYS A 47 -11.965 -1.173 10.856 1.00 95.22 H ATOM 749 HE3 LYS A 47 -10.997 -0.216 11.974 1.00 95.22 H ATOM 750 NZ LYS A 47 -12.238 -1.672 12.905 1.00 95.22 N ATOM 751 HZ1 LYS A 47 -13.147 -2.091 12.768 1.00 95.22 H ATOM 752 HZ2 LYS A 47 -12.232 -1.211 13.803 1.00 95.22 H ATOM 753 HZ3 LYS A 47 -11.532 -2.395 12.905 1.00 95.22 H ATOM 754 N GLY A 48 -14.944 5.585 10.254 1.00 96.30 N ATOM 755 H GLY A 48 -14.095 5.812 10.751 1.00 96.30 H ATOM 756 CA GLY A 48 -16.020 6.581 10.214 1.00 96.30 C ATOM 757 HA2 GLY A 48 -15.891 7.272 11.046 1.00 96.30 H ATOM 758 HA3 GLY A 48 -16.979 6.078 10.336 1.00 96.30 H ATOM 759 C GLY A 48 -16.082 7.411 8.924 1.00 96.30 C ATOM 760 O GLY A 48 -17.003 8.205 8.769 1.00 96.30 O ATOM 761 N HIS A 49 -15.119 7.263 8.009 1.00 95.44 N ATOM 762 H HIS A 49 -14.370 6.612 8.195 1.00 95.44 H ATOM 763 CA HIS A 49 -15.050 7.999 6.738 1.00 95.44 C ATOM 764 HA HIS A 49 -15.798 8.791 6.732 1.00 95.44 H ATOM 765 C HIS A 49 -15.350 7.114 5.519 1.00 95.44 C ATOM 766 CB HIS A 49 -13.668 8.653 6.590 1.00 95.44 C ATOM 767 HB2 HIS A 49 -13.636 9.180 5.636 1.00 95.44 H ATOM 768 HB3 HIS A 49 -12.911 7.870 6.556 1.00 95.44 H ATOM 769 O HIS A 49 -15.327 7.599 4.390 1.00 95.44 O ATOM 770 CG HIS A 49 -13.280 9.644 7.660 1.00 95.44 C ATOM 771 CD2 HIS A 49 -14.049 10.137 8.683 1.00 95.44 C ATOM 772 HD2 HIS A 49 -15.086 9.906 8.880 1.00 95.44 H ATOM 773 ND1 HIS A 49 -12.052 10.255 7.757 1.00 95.44 N ATOM 774 HD1 HIS A 49 -11.268 10.121 7.134 1.00 95.44 H ATOM 775 CE1 HIS A 49 -12.072 11.074 8.820 1.00 95.44 C ATOM 776 HE1 HIS A 49 -11.244 11.682 9.155 1.00 95.44 H ATOM 777 NE2 HIS A 49 -13.269 11.030 9.421 1.00 95.44 N ATOM 778 N PHE A 50 -15.619 5.823 5.727 1.00 95.85 N ATOM 779 H PHE A 50 -15.661 5.479 6.675 1.00 95.85 H ATOM 780 CA PHE A 50 -15.877 4.873 4.652 1.00 95.85 C ATOM 781 HA PHE A 50 -15.877 5.400 3.697 1.00 95.85 H ATOM 782 C PHE A 50 -17.249 4.230 4.824 1.00 95.85 C ATOM 783 CB PHE A 50 -14.751 3.838 4.608 1.00 95.85 C ATOM 784 HB2 PHE A 50 -14.834 3.186 5.478 1.00 95.85 H ATOM 785 HB3 PHE A 50 -13.792 4.351 4.668 1.00 95.85 H ATOM 786 O PHE A 50 -17.575 3.758 5.910 1.00 95.85 O ATOM 787 CG PHE A 50 -14.761 3.018 3.336 1.00 95.85 C ATOM 788 CD1 PHE A 50 -15.111 1.656 3.352 1.00 95.85 C ATOM 789 HD1 PHE A 50 -15.380 1.174 4.281 1.00 95.85 H ATOM 790 CD2 PHE A 50 -14.429 3.637 2.117 1.00 95.85 C ATOM 791 HD2 PHE A 50 -14.172 4.686 2.097 1.00 95.85 H ATOM 792 CE1 PHE A 50 -15.105 0.915 2.158 1.00 95.85 C ATOM 793 HE1 PHE A 50 -15.362 -0.134 2.171 1.00 95.85 H ATOM 794 CE2 PHE A 50 -14.424 2.897 0.924 1.00 95.85 C ATOM 795 HE2 PHE A 50 -14.165 3.378 -0.008 1.00 95.85 H ATOM 796 CZ PHE A 50 -14.761 1.533 0.944 1.00 95.85 C ATOM 797 HZ PHE A 50 -14.763 0.963 0.027 1.00 95.85 H ATOM 798 N GLY A 51 -18.052 4.223 3.760 1.00 95.09 N ATOM 799 H GLY A 51 -17.691 4.566 2.882 1.00 95.09 H ATOM 800 CA GLY A 51 -19.385 3.628 3.750 1.00 95.09 C ATOM 801 HA2 GLY A 51 -20.099 4.335 3.328 1.00 95.09 H ATOM 802 HA3 GLY A 51 -19.695 3.410 4.772 1.00 95.09 H ATOM 803 C GLY A 51 -19.427 2.350 2.916 1.00 95.09 C ATOM 804 O GLY A 51 -18.918 2.328 1.797 1.00 95.09 O ATOM 805 N ILE A 52 -20.069 1.304 3.432 1.00 94.56 N ATOM 806 H ILE A 52 -20.472 1.402 4.352 1.00 94.56 H ATOM 807 CA ILE A 52 -20.313 0.040 2.730 1.00 94.56 C ATOM 808 HA ILE A 52 -20.006 0.136 1.689 1.00 94.56 H ATOM 809 C ILE A 52 -21.819 -0.216 2.775 1.00 94.56 C ATOM 810 CB ILE A 52 -19.510 -1.123 3.361 1.00 94.56 C ATOM 811 HB ILE A 52 -19.884 -1.295 4.370 1.00 94.56 H ATOM 812 O ILE A 52 -22.406 -0.292 3.847 1.00 94.56 O ATOM 813 CG1 ILE A 52 -18.002 -0.788 3.451 1.00 94.56 C ATOM 814 HG12 ILE A 52 -17.606 -0.659 2.444 1.00 94.56 H ATOM 815 HG13 ILE A 52 -17.869 0.151 3.990 1.00 94.56 H ATOM 816 CG2 ILE A 52 -19.729 -2.401 2.526 1.00 94.56 C ATOM 817 HG21 ILE A 52 -19.230 -3.247 2.998 1.00 94.56 H ATOM 818 HG22 ILE A 52 -19.338 -2.268 1.517 1.00 94.56 H ATOM 819 HG23 ILE A 52 -20.790 -2.647 2.478 1.00 94.56 H ATOM 820 CD1 ILE A 52 -17.163 -1.834 4.196 1.00 94.56 C ATOM 821 HD11 ILE A 52 -17.597 -2.027 5.177 1.00 94.56 H ATOM 822 HD12 ILE A 52 -16.150 -1.454 4.328 1.00 94.56 H ATOM 823 HD13 ILE A 52 -17.113 -2.762 3.626 1.00 94.56 H ATOM 824 N GLY A 53 -22.474 -0.291 1.613 1.00 94.84 N ATOM 825 H GLY A 53 -21.952 -0.222 0.752 1.00 94.84 H ATOM 826 CA GLY A 53 -23.920 -0.554 1.555 1.00 94.84 C ATOM 827 HA2 GLY A 53 -24.226 -0.628 0.511 1.00 94.84 H ATOM 828 HA3 GLY A 53 -24.125 -1.508 2.040 1.00 94.84 H ATOM 829 C GLY A 53 -24.807 0.506 2.230 1.00 94.84 C ATOM 830 O GLY A 53 -25.941 0.205 2.578 1.00 94.84 O ATOM 831 N GLY A 54 -24.310 1.734 2.419 1.00 96.19 N ATOM 832 H GLY A 54 -23.347 1.895 2.162 1.00 96.19 H ATOM 833 CA GLY A 54 -25.033 2.815 3.104 1.00 96.19 C ATOM 834 HA2 GLY A 54 -26.106 2.678 2.970 1.00 96.19 H ATOM 835 HA3 GLY A 54 -24.755 3.767 2.652 1.00 96.19 H ATOM 836 C GLY A 54 -24.767 2.916 4.610 1.00 96.19 C ATOM 837 O GLY A 54 -25.244 3.859 5.240 1.00 96.19 O ATOM 838 N GLU A 55 -23.967 2.016 5.184 1.00 97.16 N ATOM 839 H GLU A 55 -23.621 1.237 4.641 1.00 97.16 H ATOM 840 CA GLU A 55 -23.559 2.059 6.590 1.00 97.16 C ATOM 841 HA GLU A 55 -24.117 2.845 7.099 1.00 97.16 H ATOM 842 C GLU A 55 -22.075 2.405 6.724 1.00 97.16 C ATOM 843 CB GLU A 55 -23.899 0.743 7.301 1.00 97.16 C ATOM 844 HB2 GLU A 55 -23.368 -0.082 6.826 1.00 97.16 H ATOM 845 HB3 GLU A 55 -23.572 0.827 8.338 1.00 97.16 H ATOM 846 O GLU A 55 -21.264 2.069 5.863 1.00 97.16 O ATOM 847 CG GLU A 55 -25.414 0.479 7.274 1.00 97.16 C ATOM 848 HG2 GLU A 55 -25.719 0.234 6.257 1.00 97.16 H ATOM 849 HG3 GLU A 55 -25.924 1.397 7.566 1.00 97.16 H ATOM 850 CD GLU A 55 -25.857 -0.646 8.217 1.00 97.16 C ATOM 851 OE1 GLU A 55 -27.066 -0.659 8.542 1.00 97.16 O ATOM 852 OE2 GLU A 55 -24.997 -1.439 8.652 1.00 97.16 O ATOM 853 N LEU A 56 -21.708 3.109 7.798 1.00 95.96 N ATOM 854 H LEU A 56 -22.398 3.279 8.516 1.00 95.96 H ATOM 855 CA LEU A 56 -20.301 3.373 8.100 1.00 95.96 C ATOM 856 HA LEU A 56 -19.827 3.853 7.244 1.00 95.96 H ATOM 857 C LEU A 56 -19.574 2.054 8.357 1.00 95.96 C ATOM 858 CB LEU A 56 -20.171 4.264 9.347 1.00 95.96 C ATOM 859 HB2 LEU A 56 -20.750 3.816 10.155 1.00 95.96 H ATOM 860 HB3 LEU A 56 -19.124 4.264 9.651 1.00 95.96 H ATOM 861 O LEU A 56 -20.071 1.235 9.116 1.00 95.96 O ATOM 862 CG LEU A 56 -20.603 5.724 9.163 1.00 95.96 C ATOM 863 HG LEU A 56 -21.638 5.763 8.823 1.00 95.96 H ATOM 864 CD1 LEU A 56 -20.511 6.448 10.508 1.00 95.96 C ATOM 865 HD11 LEU A 56 -19.480 6.437 10.861 1.00 95.96 H ATOM 866 HD12 LEU A 56 -21.147 5.954 11.243 1.00 95.96 H ATOM 867 HD13 LEU A 56 -20.833 7.483 10.390 1.00 95.96 H ATOM 868 CD2 LEU A 56 -19.710 6.437 8.150 1.00 95.96 C ATOM 869 HD21 LEU A 56 -19.896 7.511 8.167 1.00 95.96 H ATOM 870 HD22 LEU A 56 -19.916 6.069 7.145 1.00 95.96 H ATOM 871 HD23 LEU A 56 -18.661 6.252 8.383 1.00 95.96 H ATOM 872 N ALA A 57 -18.352 1.906 7.853 1.00 93.86 N ATOM 873 H ALA A 57 -17.996 2.627 7.241 1.00 93.86 H ATOM 874 CA ALA A 57 -17.493 0.752 8.125 1.00 93.86 C ATOM 875 HA ALA A 57 -18.052 -0.154 7.892 1.00 93.86 H ATOM 876 C ALA A 57 -17.057 0.645 9.601 1.00 93.86 C ATOM 877 CB ALA A 57 -16.283 0.848 7.191 1.00 93.86 C ATOM 878 HB1 ALA A 57 -16.630 0.878 6.158 1.00 93.86 H ATOM 879 HB2 ALA A 57 -15.713 1.751 7.410 1.00 93.86 H ATOM 880 HB3 ALA A 57 -15.648 -0.027 7.330 1.00 93.86 H ATOM 881 O ALA A 57 -16.375 -0.303 9.992 1.00 93.86 O ATOM 882 N SER A 58 -17.383 1.650 10.418 1.00 93.29 N ATOM 883 H SER A 58 -17.866 2.438 10.011 1.00 93.29 H ATOM 884 CA SER A 58 -17.237 1.619 11.874 1.00 93.29 C ATOM 885 HA SER A 58 -16.341 1.057 12.135 1.00 93.29 H ATOM 886 C SER A 58 -18.404 0.945 12.594 1.00 93.29 C ATOM 887 CB SER A 58 -17.088 3.047 12.407 1.00 93.29 C ATOM 888 HB2 SER A 58 -16.217 3.520 11.953 1.00 93.29 H ATOM 889 HB3 SER A 58 -16.940 3.018 13.487 1.00 93.29 H ATOM 890 O SER A 58 -18.277 0.698 13.791 1.00 93.29 O ATOM 891 OG SER A 58 -18.237 3.820 12.113 1.00 93.29 O ATOM 892 HG SER A 58 -18.988 3.388 12.527 1.00 93.29 H ATOM 893 N LYS A 59 -19.539 0.753 11.914 1.00 84.54 N ATOM 894 H LYS A 59 -19.507 0.819 10.907 1.00 84.54 H ATOM 895 CA LYS A 59 -20.705 0.026 12.422 1.00 84.54 C ATOM 896 HA LYS A 59 -20.705 0.007 13.512 1.00 84.54 H ATOM 897 C LYS A 59 -20.613 -1.436 12.003 1.00 84.54 C ATOM 898 CB LYS A 59 -22.004 0.662 11.913 1.00 84.54 C ATOM 899 HB2 LYS A 59 -22.829 0.013 12.208 1.00 84.54 H ATOM 900 HB3 LYS A 59 -21.988 0.699 10.824 1.00 84.54 H ATOM 901 O LYS A 59 -21.027 -2.269 12.833 1.00 84.54 O ATOM 902 CG LYS A 59 -22.236 2.063 12.492 1.00 84.54 C ATOM 903 HG2 LYS A 59 -21.455 2.743 12.153 1.00 84.54 H ATOM 904 HG3 LYS A 59 -22.216 2.007 13.580 1.00 84.54 H ATOM 905 CD LYS A 59 -23.603 2.575 12.035 1.00 84.54 C ATOM 906 HD2 LYS A 59 -23.605 2.660 10.948 1.00 84.54 H ATOM 907 HD3 LYS A 59 -24.362 1.849 12.327 1.00 84.54 H ATOM 908 CE LYS A 59 -23.920 3.930 12.671 1.00 84.54 C ATOM 909 HE2 LYS A 59 -23.832 3.831 13.753 1.00 84.54 H ATOM 910 HE3 LYS A 59 -23.182 4.658 12.332 1.00 84.54 H ATOM 911 NZ LYS A 59 -25.291 4.361 12.303 1.00 84.54 N ATOM 912 HZ1 LYS A 59 -25.958 3.665 12.605 1.00 84.54 H ATOM 913 HZ2 LYS A 59 -25.522 5.250 12.723 1.00 84.54 H ATOM 914 HZ3 LYS A 59 -25.374 4.432 11.299 1.00 84.54 H ATOM 915 OXT LYS A 59 -20.073 -1.663 10.900 1.00 84.54 O TER 916 LYS A 59 END If you find results from this site helpful for your research, 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