 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** fvii_dpe ***elNémo ID: 22081221444696191Job options:ID = 22081221444696191 JOBID = fvii_dpe USERID = unknown PRIVAT = 0 NMODES = 25 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER fvii_dpe REMARK GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V3.7 ON AUG, 10. 2022. JOB REMARK READ PDB, MANIPULATE STRUCTURE IF NEEDED, AND GENERATE TOPOLOGY FILE REMARK DATE: 8/10/22 22: 0:39 CREATED BY USER: apache ATOM 1 N ALA P 1 2.296 33.195 124.528 1.00 0.00 PROA ATOM 2 HT1 ALA P 1 2.059 34.207 124.491 1.00 0.00 PROA ATOM 3 HT2 ALA P 1 2.853 32.939 123.688 1.00 0.00 PROA ATOM 4 HT3 ALA P 1 2.852 33.000 125.385 1.00 0.00 PROA ATOM 5 CA ALA P 1 1.049 32.396 124.556 1.00 0.00 PROA ATOM 6 HA ALA P 1 0.493 32.618 123.657 1.00 0.00 PROA ATOM 7 CB ALA P 1 1.372 30.916 124.630 1.00 0.00 PROA ATOM 8 HB1 ALA P 1 1.955 30.698 125.550 1.00 0.00 PROA ATOM 9 HB2 ALA P 1 1.976 30.616 123.747 1.00 0.00 PROA ATOM 10 HB3 ALA P 1 0.432 30.325 124.658 1.00 0.00 PROA ATOM 11 C ALA P 1 0.240 32.832 125.762 1.00 0.00 PROA ATOM 12 O ALA P 1 0.774 33.375 126.735 1.00 0.00 PROA ATOM 13 N ASN P 2 -1.061 32.592 125.697 1.00 0.00 PROA ATOM 14 HN ASN P 2 -1.465 32.064 124.954 1.00 0.00 PROA ATOM 15 CA ASN P 2 -1.984 33.084 126.705 1.00 0.00 PROA ATOM 16 HA ASN P 2 -1.410 33.598 127.461 1.00 0.00 PROA ATOM 17 CB ASN P 2 -3.010 34.031 126.083 1.00 0.00 PROA ATOM 18 HB1 ASN P 2 -3.806 34.244 126.827 1.00 0.00 PROA ATOM 19 HB2 ASN P 2 -3.463 33.543 125.194 1.00 0.00 PROA ATOM 20 CG ASN P 2 -2.385 35.346 125.650 1.00 0.00 PROA ATOM 21 OD1 ASN P 2 -1.472 35.847 126.303 1.00 0.00 PROA ATOM 22 ND2 ASN P 2 -2.880 35.916 124.558 1.00 0.00 PROA ATOM 23 HD21 ASN P 2 -2.503 36.783 124.232 1.00 0.00 PROA ATOM 24 HD22 ASN P 2 -3.630 35.479 124.062 1.00 0.00 PROA ATOM 25 C ASN P 2 -2.639 31.908 127.407 1.00 0.00 PROA ATOM 26 O ASN P 2 -3.183 31.006 126.763 1.00 0.00 PROA ATOM 27 N ALA P 3 -2.505 31.894 128.721 1.00 0.00 PROA ATOM 28 HN ALA P 3 -1.869 32.510 129.177 1.00 0.00 PROA ATOM 29 CA ALA P 3 -3.240 31.016 129.603 1.00 0.00 PROA ATOM 30 HA ALA P 3 -3.899 30.412 128.998 1.00 0.00 PROA ATOM 31 CB ALA P 3 -2.294 30.127 130.400 1.00 0.00 PROA ATOM 32 HB1 ALA P 3 -1.612 30.751 131.016 1.00 0.00 PROA ATOM 33 HB2 ALA P 3 -1.682 29.509 129.708 1.00 0.00 PROA ATOM 34 HB3 ALA P 3 -2.877 29.465 131.076 1.00 0.00 PROA ATOM 35 C ALA P 3 -4.015 31.908 130.557 1.00 0.00 PROA ATOM 36 O ALA P 3 -3.724 33.100 130.694 1.00 0.00 PROA ATOM 37 N PHE P 4 -5.000 31.319 131.218 1.00 0.00 PROA ATOM 38 HN PHE P 4 -5.150 30.334 131.200 1.00 0.00 PROA ATOM 39 CA PHE P 4 -5.924 32.110 132.017 1.00 0.00 PROA ATOM 40 HA PHE P 4 -6.405 32.826 131.367 1.00 0.00 PROA ATOM 41 CB PHE P 4 -6.963 31.201 132.671 1.00 0.00 PROA ATOM 42 HB1 PHE P 4 -7.894 31.780 132.853 1.00 0.00 PROA ATOM 43 HB2 PHE P 4 -6.560 30.815 133.631 1.00 0.00 PROA ATOM 44 CG PHE P 4 -7.337 30.006 131.832 1.00 0.00 PROA ATOM 45 CD1 PHE P 4 -6.681 28.790 131.994 1.00 0.00 PROA ATOM 46 HD1 PHE P 4 -5.899 28.701 132.733 1.00 0.00 PROA ATOM 47 CE1 PHE P 4 -7.016 27.697 131.223 1.00 0.00 PROA ATOM 48 HE1 PHE P 4 -6.491 26.762 131.352 1.00 0.00 PROA ATOM 49 CZ PHE P 4 -8.027 27.802 130.283 1.00 0.00 PROA ATOM 50 HZ PHE P 4 -8.296 26.947 129.681 1.00 0.00 PROA ATOM 51 CD2 PHE P 4 -8.346 30.096 130.889 1.00 0.00 PROA ATOM 52 HD2 PHE P 4 -8.870 31.031 130.756 1.00 0.00 PROA ATOM 53 CE2 PHE P 4 -8.692 29.004 130.115 1.00 0.00 PROA ATOM 54 HE2 PHE P 4 -9.480 29.089 129.381 1.00 0.00 PROA ATOM 55 C PHE P 4 -5.172 32.934 133.056 1.00 0.00 PROA ATOM 56 O PHE P 4 -4.294 32.430 133.764 1.00 0.00 PROA ATOM 57 N LEU P 5 -5.499 34.220 133.100 1.00 0.00 PROA ATOM 58 HN LEU P 5 -6.165 34.593 132.461 1.00 0.00 PROA ATOM 59 CA LEU P 5 -4.952 35.195 134.040 1.00 0.00 PROA ATOM 60 HA LEU P 5 -5.498 36.117 133.909 1.00 0.00 PROA ATOM 61 CB LEU P 5 -5.062 34.724 135.499 1.00 0.00 PROA ATOM 62 HB1 LEU P 5 -4.551 35.472 136.141 1.00 0.00 PROA ATOM 63 HB2 LEU P 5 -4.534 33.752 135.587 1.00 0.00 PROA ATOM 64 CG LEU P 5 -6.480 34.540 136.025 1.00 0.00 PROA ATOM 65 HG LEU P 5 -6.979 33.715 135.473 1.00 0.00 PROA ATOM 66 CD1 LEU P 5 -6.431 34.205 137.513 1.00 0.00 PROA ATOM 67 HD11 LEU P 5 -5.938 35.028 138.074 1.00 0.00 PROA ATOM 68 HD12 LEU P 5 -5.851 33.271 137.671 1.00 0.00 PROA ATOM 69 HD13 LEU P 5 -7.462 34.076 137.906 1.00 0.00 PROA ATOM 70 CD2 LEU P 5 -7.383 35.751 135.802 1.00 0.00 PROA ATOM 71 HD21 LEU P 5 -7.467 35.970 134.716 1.00 0.00 PROA ATOM 72 HD22 LEU P 5 -6.955 36.641 136.311 1.00 0.00 PROA ATOM 73 HD23 LEU P 5 -8.399 35.544 136.202 1.00 0.00 PROA ATOM 74 C LEU P 5 -3.524 35.651 133.764 1.00 0.00 PROA ATOM 75 O LEU P 5 -3.094 36.646 134.340 1.00 0.00 PROA ATOM 76 N CGU P 6 -2.719 34.991 132.953 1.00 0.00 PROA ATOM 77 HN CGU P 6 -2.975 34.141 132.499 1.00 0.00 PROA ATOM 78 CA CGU P 6 -1.405 35.503 132.698 1.00 0.00 PROA ATOM 79 HA CGU P 6 -0.851 35.489 133.625 1.00 0.00 PROA ATOM 80 CB CGU P 6 -0.692 34.658 131.659 1.00 0.00 PROA ATOM 81 HB1 CGU P 6 -0.981 33.596 131.806 1.00 0.00 PROA ATOM 82 HB2 CGU P 6 0.403 34.757 131.812 1.00 0.00 PROA ATOM 83 CG CGU P 6 -1.025 35.063 130.206 1.00 0.00 PROA ATOM 84 HG CGU P 6 -0.711 36.118 130.067 1.00 0.00 PROA ATOM 85 CD1 CGU P 6 -2.476 34.963 129.780 1.00 0.00 PROA ATOM 86 OE12 CGU P 6 -2.671 34.588 128.649 1.00 0.00 PROA ATOM 87 OE11 CGU P 6 -3.503 35.401 130.415 1.00 0.00 PROA ATOM 88 CD2 CGU P 6 -0.008 34.359 129.379 1.00 0.00 PROA ATOM 89 OE22 CGU P 6 0.813 35.075 128.727 1.00 0.00 PROA ATOM 90 OE21 CGU P 6 0.238 33.121 129.462 1.00 0.00 PROA ATOM 91 C CGU P 6 -1.419 36.931 132.152 1.00 0.00 PROA ATOM 92 O CGU P 6 -0.475 37.670 132.376 1.00 0.00 PROA ATOM 93 N CGU P 7 -2.502 37.328 131.412 1.00 0.00 PROA ATOM 94 HN CGU P 7 -3.306 36.759 131.261 1.00 0.00 PROA ATOM 95 CA CGU P 7 -2.489 38.678 130.797 1.00 0.00 PROA ATOM 96 HA CGU P 7 -1.481 38.902 130.481 1.00 0.00 PROA ATOM 97 CB CGU P 7 -3.434 38.705 129.596 1.00 0.00 PROA ATOM 98 HB1 CGU P 7 -3.573 39.754 129.258 1.00 0.00 PROA ATOM 99 HB2 CGU P 7 -4.421 38.290 129.893 1.00 0.00 PROA ATOM 100 CG CGU P 7 -2.851 37.867 128.442 1.00 0.00 PROA ATOM 101 HG CGU P 7 -2.602 36.846 128.804 1.00 0.00 PROA ATOM 102 CD1 CGU P 7 -1.588 38.546 127.928 1.00 0.00 PROA ATOM 103 OE12 CGU P 7 -1.663 39.710 127.438 1.00 0.00 PROA ATOM 104 OE11 CGU P 7 -0.474 37.948 128.073 1.00 0.00 PROA ATOM 105 CD2 CGU P 7 -3.936 37.643 127.380 1.00 0.00 PROA ATOM 106 OE22 CGU P 7 -4.799 36.746 127.579 1.00 0.00 PROA ATOM 107 OE21 CGU P 7 -3.988 38.373 126.361 1.00 0.00 PROA ATOM 108 C CGU P 7 -2.788 39.805 131.830 1.00 0.00 PROA ATOM 109 O CGU P 7 -2.846 41.010 131.450 1.00 0.00 PROA ATOM 110 N LEU P 8 -2.935 39.446 133.098 1.00 0.00 PROA ATOM 111 HN LEU P 8 -3.038 38.495 133.379 1.00 0.00 PROA ATOM 112 CA LEU P 8 -2.953 40.446 134.160 1.00 0.00 PROA ATOM 113 HA LEU P 8 -3.583 41.262 133.838 1.00 0.00 PROA ATOM 114 CB LEU P 8 -3.483 39.851 135.461 1.00 0.00 PROA ATOM 115 HB1 LEU P 8 -3.078 40.452 136.301 1.00 0.00 PROA ATOM 116 HB2 LEU P 8 -3.100 38.812 135.542 1.00 0.00 PROA ATOM 117 CG LEU P 8 -5.007 39.804 135.607 1.00 0.00 PROA ATOM 118 HG LEU P 8 -5.397 40.843 135.656 1.00 0.00 PROA ATOM 119 CD1 LEU P 8 -5.676 39.078 134.439 1.00 0.00 PROA ATOM 120 HD11 LEU P 8 -5.183 38.098 134.266 1.00 0.00 PROA ATOM 121 HD12 LEU P 8 -5.588 39.688 133.514 1.00 0.00 PROA ATOM 122 HD13 LEU P 8 -6.748 38.900 134.669 1.00 0.00 PROA ATOM 123 CD2 LEU P 8 -5.384 39.148 136.932 1.00 0.00 PROA ATOM 124 HD21 LEU P 8 -4.959 39.727 137.779 1.00 0.00 PROA ATOM 125 HD22 LEU P 8 -4.979 38.114 136.971 1.00 0.00 PROA ATOM 126 HD23 LEU P 8 -6.489 39.121 137.040 1.00 0.00 PROA ATOM 127 C LEU P 8 -1.541 40.971 134.390 1.00 0.00 PROA ATOM 128 O LEU P 8 -1.348 42.035 134.981 1.00 0.00 PROA ATOM 129 N ARG P 9 -0.519 40.169 133.918 1.00 0.00 PROA ATOM 130 HN ARG P 9 -0.694 39.330 133.408 1.00 0.00 PROA ATOM 131 CA ARG P 9 0.876 40.506 134.140 1.00 0.00 PROA ATOM 132 HA ARG P 9 0.957 40.998 135.098 1.00 0.00 PROA ATOM 133 CB ARG P 9 1.726 39.235 134.116 1.00 0.00 PROA ATOM 134 HB1 ARG P 9 2.794 39.521 134.221 1.00 0.00 PROA ATOM 135 HB2 ARG P 9 1.583 38.731 133.137 1.00 0.00 PROA ATOM 136 CG ARG P 9 1.376 38.255 135.221 1.00 0.00 PROA ATOM 137 HG1 ARG P 9 0.407 37.771 134.976 1.00 0.00 PROA ATOM 138 HG2 ARG P 9 1.268 38.815 136.174 1.00 0.00 PROA ATOM 139 CD ARG P 9 2.427 37.177 135.405 1.00 0.00 PROA ATOM 140 HD1 ARG P 9 2.635 36.693 134.427 1.00 0.00 PROA ATOM 141 HD2 ARG P 9 2.060 36.423 136.134 1.00 0.00 PROA ATOM 142 NE ARG P 9 3.691 37.697 135.913 1.00 0.00 PROA ATOM 143 HE ARG P 9 3.768 38.682 136.062 1.00 0.00 PROA ATOM 144 CZ ARG P 9 4.748 36.939 136.190 1.00 0.00 PROA ATOM 145 NH1 ARG P 9 4.865 35.735 135.643 1.00 0.00 PROA ATOM 146 HH11 ARG P 9 4.158 35.397 135.022 1.00 0.00 PROA ATOM 147 HH12 ARG P 9 5.660 35.166 135.852 1.00 0.00 PROA ATOM 148 NH2 ARG P 9 5.692 37.381 137.012 1.00 0.00 PROA ATOM 149 HH21 ARG P 9 5.610 38.288 137.426 1.00 0.00 PROA ATOM 150 HH22 ARG P 9 6.485 36.807 137.217 1.00 0.00 PROA ATOM 151 C ARG P 9 1.380 41.428 133.040 1.00 0.00 PROA ATOM 152 O ARG P 9 0.929 41.346 131.896 1.00 0.00 PROA ATOM 153 N PRO P 10 2.350 42.279 133.369 1.00 0.00 PROA ATOM 154 CD PRO P 10 2.820 42.616 134.725 1.00 0.00 PROA ATOM 155 HD1 PRO P 10 3.435 41.786 135.132 1.00 0.00 PROA ATOM 156 HD2 PRO P 10 1.953 42.808 135.392 1.00 0.00 PROA ATOM 157 CA PRO P 10 3.083 43.001 132.325 1.00 0.00 PROA ATOM 158 HA PRO P 10 2.419 43.652 131.780 1.00 0.00 PROA ATOM 159 CB PRO P 10 4.188 43.721 133.109 1.00 0.00 PROA ATOM 160 HB1 PRO P 10 4.396 44.720 132.671 1.00 0.00 PROA ATOM 161 HB2 PRO P 10 5.126 43.126 133.107 1.00 0.00 PROA ATOM 162 CG PRO P 10 3.635 43.852 134.513 1.00 0.00 PROA ATOM 163 HG1 PRO P 10 4.459 43.913 135.256 1.00 0.00 PROA ATOM 164 HG2 PRO P 10 3.002 44.761 134.603 1.00 0.00 PROA ATOM 165 C PRO P 10 3.678 42.046 131.299 1.00 0.00 PROA ATOM 166 O PRO P 10 4.065 40.919 131.615 1.00 0.00 PROA ATOM 167 N GLY P 11 3.757 42.514 130.056 1.00 0.00 PROA ATOM 168 HN GLY P 11 3.420 43.415 129.792 1.00 0.00 PROA ATOM 169 CA GLY P 11 4.354 41.703 129.014 1.00 0.00 PROA ATOM 170 HA1 GLY P 11 4.255 42.233 128.078 1.00 0.00 PROA ATOM 171 HA2 GLY P 11 3.819 40.766 128.970 1.00 0.00 PROA ATOM 172 C GLY P 11 5.822 41.429 129.281 1.00 0.00 PROA ATOM 173 O GLY P 11 6.513 42.202 129.947 1.00 0.00 PROA ATOM 174 N SER P 12 6.298 40.303 128.752 1.00 0.00 PROA ATOM 175 HN SER P 12 5.724 39.682 128.224 1.00 0.00 PROA ATOM 176 CA SER P 12 7.693 39.907 128.912 1.00 0.00 PROA ATOM 177 HA SER P 12 8.278 40.803 129.056 1.00 0.00 PROA ATOM 178 CB SER P 12 7.867 38.967 130.102 1.00 0.00 PROA ATOM 179 HB1 SER P 12 7.072 38.191 130.085 1.00 0.00 PROA ATOM 180 HB2 SER P 12 7.800 39.545 131.048 1.00 0.00 PROA ATOM 181 OG SER P 12 9.137 38.323 130.048 1.00 0.00 PROA ATOM 182 HG1 SER P 12 9.771 38.960 130.385 1.00 0.00 PROA ATOM 183 C SER P 12 8.134 39.196 127.646 1.00 0.00 PROA ATOM 184 O SER P 12 7.583 38.144 127.306 1.00 0.00 PROA ATOM 185 N LEU P 13 9.132 39.750 126.970 1.00 0.00 PROA ATOM 186 HN LEU P 13 9.554 40.609 127.248 1.00 0.00 PROA ATOM 187 CA LEU P 13 9.669 39.124 125.772 1.00 0.00 PROA ATOM 188 HA LEU P 13 8.871 39.044 125.049 1.00 0.00 PROA ATOM 189 CB LEU P 13 10.817 39.955 125.207 1.00 0.00 PROA ATOM 190 HB1 LEU P 13 11.685 39.846 125.891 1.00 0.00 PROA ATOM 191 HB2 LEU P 13 10.496 41.017 125.198 1.00 0.00 PROA ATOM 192 CG LEU P 13 11.284 39.594 123.795 1.00 0.00 PROA ATOM 193 HG LEU P 13 11.551 38.516 123.764 1.00 0.00 PROA ATOM 194 CD1 LEU P 13 10.191 39.871 122.755 1.00 0.00 PROA ATOM 195 HD11 LEU P 13 9.919 40.948 122.765 1.00 0.00 PROA ATOM 196 HD12 LEU P 13 9.284 39.274 122.991 1.00 0.00 PROA ATOM 197 HD13 LEU P 13 10.559 39.607 121.740 1.00 0.00 PROA ATOM 198 CD2 LEU P 13 12.558 40.365 123.477 1.00 0.00 PROA ATOM 199 HD21 LEU P 13 13.355 40.103 124.206 1.00 0.00 PROA ATOM 200 HD22 LEU P 13 12.365 41.457 123.540 1.00 0.00 PROA ATOM 201 HD23 LEU P 13 12.912 40.106 122.456 1.00 0.00 PROA ATOM 202 C LEU P 13 10.153 37.705 126.088 1.00 0.00 PROA ATOM 203 O LEU P 13 9.860 36.766 125.349 1.00 0.00 PROA ATOM 204 N CGU P 14 10.893 37.549 127.182 1.00 0.00 PROA ATOM 205 HN CGU P 14 11.114 38.304 127.795 1.00 0.00 PROA ATOM 206 CA CGU P 14 11.434 36.216 127.546 1.00 0.00 PROA ATOM 207 HA CGU P 14 11.967 35.831 126.690 1.00 0.00 PROA ATOM 208 CB CGU P 14 12.396 36.277 128.771 1.00 0.00 PROA ATOM 209 HB1 CGU P 14 11.836 36.655 129.653 1.00 0.00 PROA ATOM 210 HB2 CGU P 14 13.226 36.979 128.545 1.00 0.00 PROA ATOM 211 CG CGU P 14 12.986 34.894 129.106 1.00 0.00 PROA ATOM 212 HG CGU P 14 12.159 34.160 129.210 1.00 0.00 PROA ATOM 213 CD1 CGU P 14 13.795 34.916 130.418 1.00 0.00 PROA ATOM 214 OE12 CGU P 14 13.864 35.984 131.086 1.00 0.00 PROA ATOM 215 OE11 CGU P 14 14.391 33.874 130.796 1.00 0.00 PROA ATOM 216 CD2 CGU P 14 13.877 34.321 127.974 1.00 0.00 PROA ATOM 217 OE22 CGU P 14 14.002 33.072 127.845 1.00 0.00 PROA ATOM 218 OE21 CGU P 14 14.472 35.113 127.195 1.00 0.00 PROA ATOM 219 C CGU P 14 10.278 35.232 127.830 1.00 0.00 PROA ATOM 220 O CGU P 14 10.236 34.111 127.246 1.00 0.00 PROA ATOM 221 N ARG P 15 9.352 35.622 128.695 1.00 0.00 PROA ATOM 222 HN ARG P 15 9.329 36.535 129.095 1.00 0.00 PROA ATOM 223 CA ARG P 15 8.308 34.696 129.098 1.00 0.00 PROA ATOM 224 HA ARG P 15 8.780 33.768 129.383 1.00 0.00 PROA ATOM 225 CB ARG P 15 7.494 35.253 130.265 1.00 0.00 PROA ATOM 226 HB1 ARG P 15 6.912 36.128 129.904 1.00 0.00 PROA ATOM 227 HB2 ARG P 15 8.196 35.590 131.056 1.00 0.00 PROA ATOM 228 CG ARG P 15 6.526 34.245 130.873 1.00 0.00 PROA ATOM 229 HG1 ARG P 15 7.084 33.589 131.575 1.00 0.00 PROA ATOM 230 HG2 ARG P 15 6.100 33.620 130.060 1.00 0.00 PROA ATOM 231 CD ARG P 15 5.380 34.922 131.631 1.00 0.00 PROA ATOM 232 HD1 ARG P 15 5.059 34.287 132.484 1.00 0.00 PROA ATOM 233 HD2 ARG P 15 4.524 35.103 130.946 1.00 0.00 PROA ATOM 234 NE ARG P 15 5.816 36.212 132.164 1.00 0.00 PROA ATOM 235 HE ARG P 15 6.727 36.254 132.571 1.00 0.00 PROA ATOM 236 CZ ARG P 15 5.100 37.337 132.153 1.00 0.00 PROA ATOM 237 NH1 ARG P 15 5.415 38.369 132.937 1.00 0.00 PROA ATOM 238 HH11 ARG P 15 4.962 39.251 132.808 1.00 0.00 PROA ATOM 239 HH12 ARG P 15 6.104 38.261 133.654 1.00 0.00 PROA ATOM 240 NH2 ARG P 15 4.049 37.419 131.346 1.00 0.00 PROA ATOM 241 HH21 ARG P 15 3.807 36.645 130.761 1.00 0.00 PROA ATOM 242 HH22 ARG P 15 3.500 38.254 131.324 1.00 0.00 PROA ATOM 243 C ARG P 15 7.387 34.365 127.930 1.00 0.00 PROA ATOM 244 O ARG P 15 6.979 33.215 127.770 1.00 0.00 PROA ATOM 245 N CGU P 16 7.077 35.368 127.111 1.00 0.00 PROA ATOM 246 HN CGU P 16 7.562 36.239 127.120 1.00 0.00 PROA ATOM 247 CA CGU P 16 5.971 35.232 126.126 1.00 0.00 PROA ATOM 248 HA CGU P 16 5.331 34.422 126.443 1.00 0.00 PROA ATOM 249 CB CGU P 16 5.168 36.532 126.046 1.00 0.00 PROA ATOM 250 HB1 CGU P 16 4.414 36.441 125.235 1.00 0.00 PROA ATOM 251 HB2 CGU P 16 5.858 37.368 125.804 1.00 0.00 PROA ATOM 252 CG CGU P 16 4.454 36.843 127.352 1.00 0.00 PROA ATOM 253 HG CGU P 16 5.198 37.088 128.140 1.00 0.00 PROA ATOM 254 CD1 CGU P 16 3.645 35.628 127.781 1.00 0.00 PROA ATOM 255 OE12 CGU P 16 3.931 35.033 128.864 1.00 0.00 PROA ATOM 256 OE11 CGU P 16 2.752 35.191 127.019 1.00 0.00 PROA ATOM 257 CD2 CGU P 16 3.629 38.115 127.189 1.00 0.00 PROA ATOM 258 OE22 CGU P 16 2.368 38.078 127.135 1.00 0.00 PROA ATOM 259 OE21 CGU P 16 4.271 39.192 127.079 1.00 0.00 PROA ATOM 260 C CGU P 16 6.421 34.876 124.718 1.00 0.00 PROA ATOM 261 O CGU P 16 5.619 34.214 123.995 1.00 0.00 PROA ATOM 262 N CYS P 17 7.624 35.282 124.316 1.00 0.00 PROA ATOM 263 HN CYS P 17 8.257 35.761 124.919 1.00 0.00 PROA ATOM 264 CA CYS P 17 8.080 35.042 122.953 1.00 0.00 PROA ATOM 265 HA CYS P 17 7.283 34.547 122.419 1.00 0.00 PROA ATOM 266 CB CYS P 17 8.451 36.357 122.252 1.00 0.00 PROA ATOM 267 HB1 CYS P 17 8.872 36.104 121.257 1.00 0.00 PROA ATOM 268 HB2 CYS P 17 9.242 36.851 122.854 1.00 0.00 PROA ATOM 269 SG CYS P 17 7.092 37.528 122.019 1.00 0.00 PROA ATOM 270 C CYS P 17 9.275 34.099 122.843 1.00 0.00 PROA ATOM 271 O CYS P 17 9.524 33.561 121.768 1.00 0.00 PROA ATOM 272 N LYS P 18 10.026 33.913 123.927 1.00 0.00 PROA ATOM 273 HN LYS P 18 9.822 34.346 124.802 1.00 0.00 PROA ATOM 274 CA LYS P 18 11.208 33.048 123.884 1.00 0.00 PROA ATOM 275 HA LYS P 18 11.442 32.858 122.847 1.00 0.00 PROA ATOM 276 CB LYS P 18 12.406 33.704 124.584 1.00 0.00 PROA ATOM 277 HB1 LYS P 18 13.279 33.024 124.489 1.00 0.00 PROA ATOM 278 HB2 LYS P 18 12.157 33.823 125.659 1.00 0.00 PROA ATOM 279 CG LYS P 18 12.803 35.070 124.032 1.00 0.00 PROA ATOM 280 HG1 LYS P 18 13.725 35.411 124.548 1.00 0.00 PROA ATOM 281 HG2 LYS P 18 11.986 35.793 124.241 1.00 0.00 PROA ATOM 282 CD LYS P 18 13.061 35.039 122.533 1.00 0.00 PROA ATOM 283 HD1 LYS P 18 12.141 34.700 122.011 1.00 0.00 PROA ATOM 284 HD2 LYS P 18 13.881 34.321 122.318 1.00 0.00 PROA ATOM 285 CE LYS P 18 13.451 36.413 122.018 1.00 0.00 PROA ATOM 286 HE1 LYS P 18 14.374 36.759 122.530 1.00 0.00 PROA ATOM 287 HE2 LYS P 18 12.623 37.131 122.197 1.00 0.00 PROA ATOM 288 NZ LYS P 18 13.725 36.387 120.549 1.00 0.00 PROA ATOM 289 HZ1 LYS P 18 12.872 36.075 120.042 1.00 0.00 PROA ATOM 290 HZ2 LYS P 18 14.505 35.728 120.354 1.00 0.00 PROA ATOM 291 HZ3 LYS P 18 13.989 37.341 120.229 1.00 0.00 PROA ATOM 292 C LYS P 18 10.926 31.692 124.528 1.00 0.00 PROA ATOM 293 O LYS P 18 11.283 30.651 123.981 1.00 0.00 PROA ATOM 294 N CGU P 19 10.302 31.716 125.702 1.00 0.00 PROA ATOM 295 HN CGU P 19 10.065 32.571 126.157 1.00 0.00 PROA ATOM 296 CA CGU P 19 9.914 30.462 126.420 1.00 0.00 PROA ATOM 297 HA CGU P 19 10.701 29.737 126.276 1.00 0.00 PROA ATOM 298 CB CGU P 19 9.711 30.710 127.916 1.00 0.00 PROA ATOM 299 HB1 CGU P 19 9.274 29.798 128.376 1.00 0.00 PROA ATOM 300 HB2 CGU P 19 9.001 31.554 128.048 1.00 0.00 PROA ATOM 301 CG CGU P 19 11.017 31.046 128.628 1.00 0.00 PROA ATOM 302 HG CGU P 19 11.523 31.875 128.090 1.00 0.00 PROA ATOM 303 CD1 CGU P 19 11.965 29.840 128.679 1.00 0.00 PROA ATOM 304 OE12 CGU P 19 13.147 30.020 129.065 1.00 0.00 PROA ATOM 305 OE11 CGU P 19 11.554 28.691 128.337 1.00 0.00 PROA ATOM 306 CD2 CGU P 19 10.784 31.595 130.053 1.00 0.00 PROA ATOM 307 OE22 CGU P 19 9.630 31.544 130.556 1.00 0.00 PROA ATOM 308 OE21 CGU P 19 11.745 32.089 130.701 1.00 0.00 PROA ATOM 309 C CGU P 19 8.604 29.930 125.838 1.00 0.00 PROA ATOM 310 O CGU P 19 8.258 28.727 126.001 1.00 0.00 PROA ATOM 311 N CGU P 20 7.857 30.827 125.208 1.00 0.00 PROA ATOM 312 HN CGU P 20 8.122 31.786 125.143 1.00 0.00 PROA ATOM 313 CA CGU P 20 6.610 30.468 124.575 1.00 0.00 PROA ATOM 314 HA CGU P 20 6.547 29.390 124.557 1.00 0.00 PROA ATOM 315 CB CGU P 20 5.384 31.041 125.318 1.00 0.00 PROA ATOM 316 HB1 CGU P 20 4.465 30.712 124.788 1.00 0.00 PROA ATOM 317 HB2 CGU P 20 5.440 32.150 125.287 1.00 0.00 PROA ATOM 318 CG CGU P 20 5.284 30.599 126.787 1.00 0.00 PROA ATOM 319 HG CGU P 20 6.287 30.693 127.255 1.00 0.00 PROA ATOM 320 CD1 CGU P 20 4.809 29.169 126.970 1.00 0.00 PROA ATOM 321 OE12 CGU P 20 4.914 28.624 128.113 1.00 0.00 PROA ATOM 322 OE11 CGU P 20 4.283 28.567 125.993 1.00 0.00 PROA ATOM 323 CD2 CGU P 20 4.284 31.522 127.504 1.00 0.00 PROA ATOM 324 OE22 CGU P 20 4.159 31.525 128.758 1.00 0.00 PROA ATOM 325 OE21 CGU P 20 3.574 32.267 126.784 1.00 0.00 PROA ATOM 326 C CGU P 20 6.595 31.045 123.169 1.00 0.00 PROA ATOM 327 O CGU P 20 7.460 31.900 122.836 1.00 0.00 PROA ATOM 328 N GLN P 21 5.626 30.637 122.366 1.00 0.00 PROA ATOM 329 HN GLN P 21 5.046 29.857 122.589 1.00 0.00 PROA ATOM 330 CA GLN P 21 5.345 31.302 121.105 1.00 0.00 PROA ATOM 331 HA GLN P 21 6.270 31.699 120.714 1.00 0.00 PROA ATOM 332 CB GLN P 21 4.740 30.298 120.138 1.00 0.00 PROA ATOM 333 HB1 GLN P 21 3.806 29.902 120.589 1.00 0.00 PROA ATOM 334 HB2 GLN P 21 5.461 29.463 120.009 1.00 0.00 PROA ATOM 335 CG GLN P 21 4.408 30.845 118.777 1.00 0.00 PROA ATOM 336 HG1 GLN P 21 5.274 31.427 118.395 1.00 0.00 PROA ATOM 337 HG2 GLN P 21 3.525 31.515 118.857 1.00 0.00 PROA ATOM 338 CD GLN P 21 4.092 29.735 117.793 1.00 0.00 PROA ATOM 339 OE1 GLN P 21 4.831 28.753 117.689 1.00 0.00 PROA ATOM 340 NE2 GLN P 21 2.981 29.876 117.079 1.00 0.00 PROA ATOM 341 HE21 GLN P 21 2.722 29.175 116.414 1.00 0.00 PROA ATOM 342 HE22 GLN P 21 2.404 30.683 117.206 1.00 0.00 PROA ATOM 343 C GLN P 21 4.369 32.450 121.369 1.00 0.00 PROA ATOM 344 O GLN P 21 3.327 32.251 122.009 1.00 0.00 PROA ATOM 345 N CYS P 22 4.699 33.648 120.891 1.00 0.00 PROA ATOM 346 HN CYS P 22 5.551 33.806 120.398 1.00 0.00 PROA ATOM 347 CA CYS P 22 3.832 34.804 121.061 1.00 0.00 PROA ATOM 348 HA CYS P 22 3.032 34.518 121.727 1.00 0.00 PROA ATOM 349 CB CYS P 22 4.580 36.006 121.632 1.00 0.00 PROA ATOM 350 HB1 CYS P 22 5.034 35.694 122.595 1.00 0.00 PROA ATOM 351 HB2 CYS P 22 3.834 36.802 121.835 1.00 0.00 PROA ATOM 352 SG CYS P 22 5.861 36.688 120.604 1.00 0.00 PROA ATOM 353 C CYS P 22 3.192 35.196 119.737 1.00 0.00 PROA ATOM 354 O CYS P 22 3.806 35.069 118.668 1.00 0.00 PROA ATOM 355 N SER P 23 1.950 35.659 119.827 1.00 0.00 PROA ATOM 356 HN SER P 23 1.447 35.668 120.688 1.00 0.00 PROA ATOM 357 CA SER P 23 1.250 36.181 118.673 1.00 0.00 PROA ATOM 358 HA SER P 23 1.473 35.545 117.829 1.00 0.00 PROA ATOM 359 CB SER P 23 -0.252 36.211 118.933 1.00 0.00 PROA ATOM 360 HB1 SER P 23 -0.592 35.219 119.301 1.00 0.00 PROA ATOM 361 HB2 SER P 23 -0.793 36.463 117.996 1.00 0.00 PROA ATOM 362 OG SER P 23 -0.544 37.192 119.913 1.00 0.00 PROA ATOM 363 HG1 SER P 23 -0.342 36.788 120.760 1.00 0.00 PROA ATOM 364 C SER P 23 1.716 37.605 118.400 1.00 0.00 PROA ATOM 365 O SER P 23 2.395 38.229 119.219 1.00 0.00 PROA ATOM 366 N PHE P 24 1.334 38.125 117.240 1.00 0.00 PROA ATOM 367 HN PHE P 24 0.821 37.610 116.557 1.00 0.00 PROA ATOM 368 CA PHE P 24 1.661 39.502 116.918 1.00 0.00 PROA ATOM 369 HA PHE P 24 2.737 39.590 116.903 1.00 0.00 PROA ATOM 370 CB PHE P 24 1.080 39.919 115.564 1.00 0.00 PROA ATOM 371 HB1 PHE P 24 -0.029 39.941 115.628 1.00 0.00 PROA ATOM 372 HB2 PHE P 24 1.403 39.197 114.784 1.00 0.00 PROA ATOM 373 CG PHE P 24 1.531 41.274 115.135 1.00 0.00 PROA ATOM 374 CD1 PHE P 24 2.718 41.431 114.439 1.00 0.00 PROA ATOM 375 HD1 PHE P 24 3.308 40.562 114.188 1.00 0.00 PROA ATOM 376 CE1 PHE P 24 3.156 42.680 114.063 1.00 0.00 PROA ATOM 377 HE1 PHE P 24 4.080 42.787 113.514 1.00 0.00 PROA ATOM 378 CZ PHE P 24 2.413 43.793 114.389 1.00 0.00 PROA ATOM 379 HZ PHE P 24 2.751 44.774 114.090 1.00 0.00 PROA ATOM 380 CD2 PHE P 24 0.798 42.401 115.466 1.00 0.00 PROA ATOM 381 HD2 PHE P 24 -0.125 42.296 116.018 1.00 0.00 PROA ATOM 382 CE2 PHE P 24 1.235 43.655 115.098 1.00 0.00 PROA ATOM 383 HE2 PHE P 24 0.658 44.528 115.363 1.00 0.00 PROA ATOM 384 C PHE P 24 1.164 40.439 118.026 1.00 0.00 PROA ATOM 385 O PHE P 24 1.880 41.336 118.479 1.00 0.00 PROA ATOM 386 N CGU P 25 -0.074 40.234 118.452 1.00 0.00 PROA ATOM 387 HN CGU P 25 -0.649 39.500 118.101 1.00 0.00 PROA ATOM 388 CA CGU P 25 -0.659 41.091 119.473 1.00 0.00 PROA ATOM 389 HA CGU P 25 -0.640 42.111 119.118 1.00 0.00 PROA ATOM 390 CB CGU P 25 -2.121 40.648 119.749 1.00 0.00 PROA ATOM 391 HB1 CGU P 25 -2.131 39.575 120.036 1.00 0.00 PROA ATOM 392 HB2 CGU P 25 -2.724 40.779 118.825 1.00 0.00 PROA ATOM 393 CG CGU P 25 -2.734 41.473 120.870 1.00 0.00 PROA ATOM 394 HG CGU P 25 -2.195 41.289 121.824 1.00 0.00 PROA ATOM 395 CD1 CGU P 25 -2.603 42.932 120.476 1.00 0.00 PROA ATOM 396 OE12 CGU P 25 -2.508 43.868 121.343 1.00 0.00 PROA ATOM 397 OE11 CGU P 25 -2.572 43.160 119.226 1.00 0.00 PROA ATOM 398 CD2 CGU P 25 -4.194 41.092 121.179 1.00 0.00 PROA ATOM 399 OE22 CGU P 25 -4.739 41.640 122.189 1.00 0.00 PROA ATOM 400 OE21 CGU P 25 -4.784 40.218 120.464 1.00 0.00 PROA ATOM 401 C CGU P 25 0.171 41.060 120.791 1.00 0.00 PROA ATOM 402 O CGU P 25 0.398 42.119 121.444 1.00 0.00 PROA ATOM 403 N CGU P 26 0.605 39.876 121.185 1.00 0.00 PROA ATOM 404 HN CGU P 26 0.429 39.037 120.676 1.00 0.00 PROA ATOM 405 CA CGU P 26 1.386 39.751 122.426 1.00 0.00 PROA ATOM 406 HA CGU P 26 0.826 40.213 123.226 1.00 0.00 PROA ATOM 407 CB CGU P 26 1.641 38.315 122.749 1.00 0.00 PROA ATOM 408 HB1 CGU P 26 2.357 38.261 123.596 1.00 0.00 PROA ATOM 409 HB2 CGU P 26 2.095 37.824 121.862 1.00 0.00 PROA ATOM 410 CG CGU P 26 0.368 37.560 123.132 1.00 0.00 PROA ATOM 411 HG CGU P 26 -0.320 37.537 122.260 1.00 0.00 PROA ATOM 412 CD1 CGU P 26 -0.342 38.217 124.295 1.00 0.00 PROA ATOM 413 OE12 CGU P 26 0.287 38.433 125.363 1.00 0.00 PROA ATOM 414 OE11 CGU P 26 -1.555 38.554 124.158 1.00 0.00 PROA ATOM 415 CD2 CGU P 26 0.760 36.106 123.417 1.00 0.00 PROA ATOM 416 OE22 CGU P 26 1.032 35.740 124.595 1.00 0.00 PROA ATOM 417 OE21 CGU P 26 0.865 35.310 122.446 1.00 0.00 PROA ATOM 418 C CGU P 26 2.730 40.508 122.280 1.00 0.00 PROA ATOM 419 O CGU P 26 3.194 41.191 123.229 1.00 0.00 PROA ATOM 420 N ALA P 27 3.336 40.429 121.107 1.00 0.00 PROA ATOM 421 HN ALA P 27 2.983 39.882 120.351 1.00 0.00 PROA ATOM 422 CA ALA P 27 4.571 41.156 120.871 1.00 0.00 PROA ATOM 423 HA ALA P 27 5.244 40.954 121.691 1.00 0.00 PROA ATOM 424 CB ALA P 27 5.196 40.710 119.542 1.00 0.00 PROA ATOM 425 HB1 ALA P 27 4.495 40.910 118.704 1.00 0.00 PROA ATOM 426 HB2 ALA P 27 5.411 39.620 119.572 1.00 0.00 PROA ATOM 427 HB3 ALA P 27 6.137 41.272 119.359 1.00 0.00 PROA ATOM 428 C ALA P 27 4.320 42.668 120.878 1.00 0.00 PROA ATOM 429 O ALA P 27 5.129 43.441 121.383 1.00 0.00 PROA ATOM 430 N ARG P 28 3.203 43.076 120.289 1.00 0.00 PROA ATOM 431 HN ARG P 28 2.591 42.427 119.844 1.00 0.00 PROA ATOM 432 CA ARG P 28 2.770 44.469 120.234 1.00 0.00 PROA ATOM 433 HA ARG P 28 3.499 45.049 119.688 1.00 0.00 PROA ATOM 434 CB ARG P 28 1.412 44.451 119.516 1.00 0.00 PROA ATOM 435 HB1 ARG P 28 0.628 44.401 120.299 1.00 0.00 PROA ATOM 436 HB2 ARG P 28 1.376 43.525 118.906 1.00 0.00 PROA ATOM 437 CG ARG P 28 1.060 45.601 118.604 1.00 0.00 PROA ATOM 438 HG1 ARG P 28 1.472 45.412 117.590 1.00 0.00 PROA ATOM 439 HG2 ARG P 28 1.501 46.540 119.001 1.00 0.00 PROA ATOM 440 CD ARG P 28 -0.478 45.746 118.520 1.00 0.00 PROA ATOM 441 HD1 ARG P 28 -0.929 44.800 118.150 1.00 0.00 PROA ATOM 442 HD2 ARG P 28 -0.744 46.586 117.843 1.00 0.00 PROA ATOM 443 NE ARG P 28 -1.044 46.031 119.838 1.00 0.00 PROA ATOM 444 HE ARG P 28 -1.649 45.350 120.250 1.00 0.00 PROA ATOM 445 CZ ARG P 28 -0.797 47.146 120.517 1.00 0.00 PROA ATOM 446 NH1 ARG P 28 -0.008 48.075 119.997 1.00 0.00 PROA ATOM 447 HH11 ARG P 28 0.400 47.936 119.095 1.00 0.00 PROA ATOM 448 HH12 ARG P 28 0.179 48.915 120.507 1.00 0.00 PROA ATOM 449 NH2 ARG P 28 -1.330 47.335 121.713 1.00 0.00 PROA ATOM 450 HH21 ARG P 28 -1.798 46.582 122.176 1.00 0.00 PROA ATOM 451 HH22 ARG P 28 -1.265 48.230 122.154 1.00 0.00 PROA ATOM 452 C ARG P 28 2.651 45.037 121.667 1.00 0.00 PROA ATOM 453 O ARG P 28 3.026 46.182 121.954 1.00 0.00 PROA ATOM 454 N CGU P 29 2.153 44.214 122.577 1.00 0.00 PROA ATOM 455 HN CGU P 29 1.886 43.279 122.359 1.00 0.00 PROA ATOM 456 CA CGU P 29 1.960 44.643 124.000 1.00 0.00 PROA ATOM 457 HA CGU P 29 1.434 45.586 124.012 1.00 0.00 PROA ATOM 458 CB CGU P 29 1.152 43.577 124.718 1.00 0.00 PROA ATOM 459 HB1 CGU P 29 1.293 43.683 125.815 1.00 0.00 PROA ATOM 460 HB2 CGU P 29 1.507 42.572 124.406 1.00 0.00 PROA ATOM 461 CG CGU P 29 -0.310 43.716 124.386 1.00 0.00 PROA ATOM 462 HG CGU P 29 -0.428 43.837 123.288 1.00 0.00 PROA ATOM 463 CD1 CGU P 29 -0.940 44.959 125.104 1.00 0.00 PROA ATOM 464 OE12 CGU P 29 -0.382 45.487 126.116 1.00 0.00 PROA ATOM 465 OE11 CGU P 29 -2.002 45.431 124.651 1.00 0.00 PROA ATOM 466 CD2 CGU P 29 -1.135 42.437 124.670 1.00 0.00 PROA ATOM 467 OE22 CGU P 29 -0.602 41.463 125.272 1.00 0.00 PROA ATOM 468 OE21 CGU P 29 -2.348 42.394 124.308 1.00 0.00 PROA ATOM 469 C CGU P 29 3.289 44.847 124.726 1.00 0.00 PROA ATOM 470 O CGU P 29 3.366 45.583 125.753 1.00 0.00 PROA ATOM 471 N ILE P 30 4.323 44.197 124.219 1.00 0.00 PROA ATOM 472 HN ILE P 30 4.227 43.581 123.441 1.00 0.00 PROA ATOM 473 CA ILE P 30 5.662 44.333 124.755 1.00 0.00 PROA ATOM 474 HA ILE P 30 5.584 44.483 125.822 1.00 0.00 PROA ATOM 475 CB ILE P 30 6.489 43.067 124.448 1.00 0.00 PROA ATOM 476 HB ILE P 30 6.322 42.769 123.391 1.00 0.00 PROA ATOM 477 CG2 ILE P 30 7.985 43.318 124.672 1.00 0.00 PROA ATOM 478 HG21 ILE P 30 8.150 43.779 125.669 1.00 0.00 PROA ATOM 479 HG22 ILE P 30 8.373 44.009 123.893 1.00 0.00 PROA ATOM 480 HG23 ILE P 30 8.540 42.357 124.630 1.00 0.00 PROA ATOM 481 CG1 ILE P 30 5.982 41.887 125.285 1.00 0.00 PROA ATOM 482 HG11 ILE P 30 4.874 41.942 125.340 1.00 0.00 PROA ATOM 483 HG12 ILE P 30 6.398 41.976 126.311 1.00 0.00 PROA ATOM 484 CD ILE P 30 6.372 40.533 124.720 1.00 0.00 PROA ATOM 485 HD1 ILE P 30 7.461 40.510 124.500 1.00 0.00 PROA ATOM 486 HD2 ILE P 30 5.815 40.342 123.778 1.00 0.00 PROA ATOM 487 HD3 ILE P 30 6.143 39.735 125.458 1.00 0.00 PROA ATOM 488 C ILE P 30 6.358 45.578 124.216 1.00 0.00 PROA ATOM 489 O ILE P 30 6.898 46.355 124.996 1.00 0.00 PROA ATOM 490 N PHE P 31 6.367 45.755 122.888 1.00 0.00 PROA ATOM 491 HN PHE P 31 5.865 45.157 122.268 1.00 0.00 PROA ATOM 492 CA PHE P 31 7.119 46.842 122.268 1.00 0.00 PROA ATOM 493 HA PHE P 31 7.956 47.077 122.909 1.00 0.00 PROA ATOM 494 CB PHE P 31 7.612 46.434 120.879 1.00 0.00 PROA ATOM 495 HB1 PHE P 31 8.060 47.317 120.375 1.00 0.00 PROA ATOM 496 HB2 PHE P 31 6.756 46.049 120.285 1.00 0.00 PROA ATOM 497 CG PHE P 31 8.652 45.363 120.904 1.00 0.00 PROA ATOM 498 CD1 PHE P 31 9.966 45.653 121.251 1.00 0.00 PROA ATOM 499 HD1 PHE P 31 10.240 46.666 121.505 1.00 0.00 PROA ATOM 500 CE1 PHE P 31 10.927 44.659 121.275 1.00 0.00 PROA ATOM 501 HE1 PHE P 31 11.948 44.895 121.538 1.00 0.00 PROA ATOM 502 CZ PHE P 31 10.570 43.358 120.959 1.00 0.00 PROA ATOM 503 HZ PHE P 31 11.313 42.575 120.976 1.00 0.00 PROA ATOM 504 CD2 PHE P 31 8.314 44.061 120.595 1.00 0.00 PROA ATOM 505 HD2 PHE P 31 7.295 43.823 120.329 1.00 0.00 PROA ATOM 506 CE2 PHE P 31 9.261 43.063 120.622 1.00 0.00 PROA ATOM 507 HE2 PHE P 31 8.982 42.048 120.380 1.00 0.00 PROA ATOM 508 C PHE P 31 6.323 48.130 122.131 1.00 0.00 PROA ATOM 509 O PHE P 31 6.925 49.206 122.045 1.00 0.00 PROA ATOM 510 N LYS P 32 4.991 48.037 122.077 1.00 0.00 PROA ATOM 511 HN LYS P 32 4.536 47.151 122.051 1.00 0.00 PROA ATOM 512 CA LYS P 32 4.102 49.194 122.052 1.00 0.00 PROA ATOM 513 HA LYS P 32 3.093 48.842 122.205 1.00 0.00 PROA ATOM 514 CB LYS P 32 4.486 50.201 123.144 1.00 0.00 PROA ATOM 515 HB1 LYS P 32 3.732 51.016 123.149 1.00 0.00 PROA ATOM 516 HB2 LYS P 32 5.478 50.630 122.891 1.00 0.00 PROA ATOM 517 CG LYS P 32 4.563 49.608 124.547 1.00 0.00 PROA ATOM 518 HG1 LYS P 32 4.806 50.414 125.272 1.00 0.00 PROA ATOM 519 HG2 LYS P 32 5.367 48.843 124.577 1.00 0.00 PROA ATOM 520 CD LYS P 32 3.242 48.963 124.938 1.00 0.00 PROA ATOM 521 HD1 LYS P 32 3.112 48.026 124.356 1.00 0.00 PROA ATOM 522 HD2 LYS P 32 2.413 49.659 124.689 1.00 0.00 PROA ATOM 523 CE LYS P 32 3.182 48.635 126.421 1.00 0.00 PROA ATOM 524 HE1 LYS P 32 3.245 49.569 127.019 1.00 0.00 PROA ATOM 525 HE2 LYS P 32 4.014 47.951 126.693 1.00 0.00 PROA ATOM 526 NZ LYS P 32 1.896 47.956 126.758 1.00 0.00 PROA ATOM 527 HZ1 LYS P 32 1.891 46.999 126.350 1.00 0.00 PROA ATOM 528 HZ2 LYS P 32 1.102 48.503 126.368 1.00 0.00 PROA ATOM 529 HZ3 LYS P 32 1.798 47.893 127.791 1.00 0.00 PROA ATOM 530 C LYS P 32 4.109 49.875 120.689 1.00 0.00 PROA ATOM 531 O LYS P 32 3.076 49.953 120.015 1.00 0.00 PROA ATOM 532 N ASP P 33 5.272 50.369 120.281 1.00 0.00 PROA ATOM 533 HN ASP P 33 6.111 50.266 120.809 1.00 0.00 PROA ATOM 534 CA ASP P 33 5.382 51.094 119.027 1.00 0.00 PROA ATOM 535 HA ASP P 33 4.607 51.846 118.998 1.00 0.00 PROA ATOM 536 CB ASP P 33 6.763 51.740 118.940 1.00 0.00 PROA ATOM 537 HB1 ASP P 33 7.538 50.953 119.057 1.00 0.00 PROA ATOM 538 HB2 ASP P 33 6.868 52.481 119.761 1.00 0.00 PROA ATOM 539 CG ASP P 33 6.989 52.444 117.628 1.00 0.00 PROA ATOM 540 OD1 ASP P 33 6.476 53.571 117.466 1.00 0.00 PROA ATOM 541 OD2 ASP P 33 7.670 51.862 116.754 1.00 0.00 PROA ATOM 542 C ASP P 33 5.182 50.148 117.852 1.00 0.00 PROA ATOM 543 O ASP P 33 5.724 49.041 117.824 1.00 0.00 PROA ATOM 544 N ALA P 34 4.405 50.596 116.871 1.00 0.00 PROA ATOM 545 HN ALA P 34 3.995 51.505 116.890 1.00 0.00 PROA ATOM 546 CA ALA P 34 4.105 49.779 115.702 1.00 0.00 PROA ATOM 547 HA ALA P 34 3.668 48.852 116.042 1.00 0.00 PROA ATOM 548 CB ALA P 34 3.144 50.513 114.786 1.00 0.00 PROA ATOM 549 HB1 ALA P 34 3.595 51.471 114.448 1.00 0.00 PROA ATOM 550 HB2 ALA P 34 2.201 50.737 115.329 1.00 0.00 PROA ATOM 551 HB3 ALA P 34 2.923 49.891 113.893 1.00 0.00 PROA ATOM 552 C ALA P 34 5.366 49.392 114.935 1.00 0.00 PROA ATOM 553 O ALA P 34 5.544 48.230 114.570 1.00 0.00 PROA ATOM 554 N CGU P 35 6.244 50.363 114.700 1.00 0.00 PROA ATOM 555 HN CGU P 35 6.128 51.287 115.057 1.00 0.00 PROA ATOM 556 CA CGU P 35 7.463 50.116 113.880 1.00 0.00 PROA ATOM 557 HA CGU P 35 7.155 49.602 112.982 1.00 0.00 PROA ATOM 558 CB CGU P 35 8.198 51.406 113.499 1.00 0.00 PROA ATOM 559 HB1 CGU P 35 9.288 51.236 113.626 1.00 0.00 PROA ATOM 560 HB2 CGU P 35 7.875 52.209 114.194 1.00 0.00 PROA ATOM 561 CG CGU P 35 7.946 51.894 112.036 1.00 0.00 PROA ATOM 562 HG CGU P 35 8.913 52.086 111.524 1.00 0.00 PROA ATOM 563 CD1 CGU P 35 7.137 53.183 112.109 1.00 0.00 PROA ATOM 564 OE12 CGU P 35 6.055 53.174 112.765 1.00 0.00 PROA ATOM 565 OE11 CGU P 35 7.550 54.222 111.534 1.00 0.00 PROA ATOM 566 CD2 CGU P 35 7.293 50.919 111.012 1.00 0.00 PROA ATOM 567 OE22 CGU P 35 6.087 51.061 110.697 1.00 0.00 PROA ATOM 568 OE21 CGU P 35 7.982 49.996 110.492 1.00 0.00 PROA ATOM 569 C CGU P 35 8.440 49.200 114.642 1.00 0.00 PROA ATOM 570 O CGU P 35 9.056 48.299 114.016 1.00 0.00 PROA ATOM 571 N ARG P 36 8.599 49.402 115.946 1.00 0.00 PROA ATOM 572 HN ARG P 36 8.139 50.133 116.445 1.00 0.00 PROA ATOM 573 CA ARG P 36 9.484 48.527 116.711 1.00 0.00 PROA ATOM 574 HA ARG P 36 10.445 48.514 116.219 1.00 0.00 PROA ATOM 575 CB ARG P 36 9.632 49.019 118.144 1.00 0.00 PROA ATOM 576 HB1 ARG P 36 10.153 48.240 118.739 1.00 0.00 PROA ATOM 577 HB2 ARG P 36 8.621 49.183 118.574 1.00 0.00 PROA ATOM 578 CG ARG P 36 10.414 50.305 118.233 1.00 0.00 PROA ATOM 579 HG1 ARG P 36 9.961 51.049 117.544 1.00 0.00 PROA ATOM 580 HG2 ARG P 36 11.460 50.111 117.915 1.00 0.00 PROA ATOM 581 CD ARG P 36 10.427 50.883 119.643 1.00 0.00 PROA ATOM 582 HD1 ARG P 36 10.886 50.160 120.350 1.00 0.00 PROA ATOM 583 HD2 ARG P 36 9.393 51.130 119.966 1.00 0.00 PROA ATOM 584 NE ARG P 36 11.218 52.109 119.665 1.00 0.00 PROA ATOM 585 HE ARG P 36 11.676 52.373 118.818 1.00 0.00 PROA ATOM 586 CZ ARG P 36 11.380 52.904 120.719 1.00 0.00 PROA ATOM 587 NH1 ARG P 36 10.803 52.628 121.886 1.00 0.00 PROA ATOM 588 HH11 ARG P 36 10.235 51.810 121.982 1.00 0.00 PROA ATOM 589 HH12 ARG P 36 10.937 53.238 122.667 1.00 0.00 PROA ATOM 590 NH2 ARG P 36 12.127 53.994 120.592 1.00 0.00 PROA ATOM 591 HH21 ARG P 36 12.557 54.206 119.714 1.00 0.00 PROA ATOM 592 HH22 ARG P 36 12.260 54.603 121.374 1.00 0.00 PROA ATOM 593 C ARG P 36 8.931 47.109 116.676 1.00 0.00 PROA ATOM 594 O ARG P 36 9.674 46.136 116.511 1.00 0.00 PROA ATOM 595 N THR P 37 7.612 46.993 116.826 1.00 0.00 PROA ATOM 596 HN THR P 37 7.005 47.773 116.953 1.00 0.00 PROA ATOM 597 CA THR P 37 7.004 45.670 116.807 1.00 0.00 PROA ATOM 598 HA THR P 37 7.500 45.063 117.550 1.00 0.00 PROA ATOM 599 CB THR P 37 5.508 45.759 117.108 1.00 0.00 PROA ATOM 600 HB THR P 37 5.001 46.364 116.327 1.00 0.00 PROA ATOM 601 OG1 THR P 37 5.308 46.382 118.382 1.00 0.00 PROA ATOM 602 HG1 THR P 37 5.552 47.303 118.267 1.00 0.00 PROA ATOM 603 CG2 THR P 37 4.891 44.361 117.118 1.00 0.00 PROA ATOM 604 HG21 THR P 37 5.377 43.735 117.896 1.00 0.00 PROA ATOM 605 HG22 THR P 37 5.038 43.876 116.129 1.00 0.00 PROA ATOM 606 HG23 THR P 37 3.805 44.428 117.344 1.00 0.00 PROA ATOM 607 C THR P 37 7.234 44.994 115.464 1.00 0.00 PROA ATOM 608 O THR P 37 7.562 43.805 115.406 1.00 0.00 PROA ATOM 609 N LYS P 38 7.049 45.737 114.368 1.00 0.00 PROA ATOM 610 HN LYS P 38 6.768 46.693 114.407 1.00 0.00 PROA ATOM 611 CA LYS P 38 7.255 45.170 113.039 1.00 0.00 PROA ATOM 612 HA LYS P 38 6.621 44.301 112.939 1.00 0.00 PROA ATOM 613 CB LYS P 38 6.909 46.211 111.974 1.00 0.00 PROA ATOM 614 HB1 LYS P 38 7.179 45.801 110.978 1.00 0.00 PROA ATOM 615 HB2 LYS P 38 7.513 47.124 112.163 1.00 0.00 PROA ATOM 616 CG LYS P 38 5.444 46.597 111.956 1.00 0.00 PROA ATOM 617 HG1 LYS P 38 5.080 46.689 113.001 1.00 0.00 PROA ATOM 618 HG2 LYS P 38 4.865 45.800 111.443 1.00 0.00 PROA ATOM 619 CD LYS P 38 5.219 47.917 111.234 1.00 0.00 PROA ATOM 620 HD1 LYS P 38 5.474 47.794 110.160 1.00 0.00 PROA ATOM 621 HD2 LYS P 38 5.883 48.692 111.674 1.00 0.00 PROA ATOM 622 CE LYS P 38 3.770 48.371 111.356 1.00 0.00 PROA ATOM 623 HE1 LYS P 38 3.487 48.425 112.429 1.00 0.00 PROA ATOM 624 HE2 LYS P 38 3.110 47.654 110.822 1.00 0.00 PROA ATOM 625 NZ LYS P 38 3.542 49.721 110.762 1.00 0.00 PROA ATOM 626 HZ1 LYS P 38 3.286 49.620 109.759 1.00 0.00 PROA ATOM 627 HZ2 LYS P 38 4.411 50.287 110.843 1.00 0.00 PROA ATOM 628 HZ3 LYS P 38 2.770 50.198 111.270 1.00 0.00 PROA ATOM 629 C LYS P 38 8.690 44.698 112.848 1.00 0.00 PROA ATOM 630 O LYS P 38 8.931 43.651 112.238 1.00 0.00 PROA ATOM 631 N LEU P 39 9.658 45.472 113.340 1.00 0.00 PROA ATOM 632 HN LEU P 39 9.476 46.319 113.834 1.00 0.00 PROA ATOM 633 CA LEU P 39 11.056 45.095 113.167 1.00 0.00 PROA ATOM 634 HA LEU P 39 11.227 44.903 112.118 1.00 0.00 PROA ATOM 635 CB LEU P 39 11.962 46.221 113.659 1.00 0.00 PROA ATOM 636 HB1 LEU P 39 11.749 46.386 114.736 1.00 0.00 PROA ATOM 637 HB2 LEU P 39 11.703 47.141 113.095 1.00 0.00 PROA ATOM 638 CG LEU P 39 13.464 45.981 113.506 1.00 0.00 PROA ATOM 639 HG LEU P 39 13.739 45.049 114.044 1.00 0.00 PROA ATOM 640 CD1 LEU P 39 13.868 45.847 112.039 1.00 0.00 PROA ATOM 641 HD11 LEU P 39 13.610 46.775 111.486 1.00 0.00 PROA ATOM 642 HD12 LEU P 39 13.327 44.995 111.574 1.00 0.00 PROA ATOM 643 HD13 LEU P 39 14.964 45.681 111.962 1.00 0.00 PROA ATOM 644 CD2 LEU P 39 14.227 47.112 114.182 1.00 0.00 PROA ATOM 645 HD21 LEU P 39 13.971 47.153 115.262 1.00 0.00 PROA ATOM 646 HD22 LEU P 39 13.955 48.083 113.716 1.00 0.00 PROA ATOM 647 HD23 LEU P 39 15.320 46.943 114.082 1.00 0.00 PROA ATOM 648 C LEU P 39 11.351 43.798 113.901 1.00 0.00 PROA ATOM 649 O LEU P 39 12.082 42.941 113.395 1.00 0.00 PROA ATOM 650 N PHE P 40 10.786 43.627 115.095 1.00 0.00 PROA ATOM 651 HN PHE P 40 10.266 44.342 115.556 1.00 0.00 PROA ATOM 652 CA PHE P 40 10.912 42.352 115.789 1.00 0.00 PROA ATOM 653 HA PHE P 40 11.961 42.105 115.858 1.00 0.00 PROA ATOM 654 CB PHE P 40 10.295 42.464 117.180 1.00 0.00 PROA ATOM 655 HB1 PHE P 40 9.311 42.973 117.102 1.00 0.00 PROA ATOM 656 HB2 PHE P 40 10.976 43.048 117.835 1.00 0.00 PROA ATOM 657 CG PHE P 40 10.056 41.138 117.858 1.00 0.00 PROA ATOM 658 CD1 PHE P 40 11.099 40.459 118.451 1.00 0.00 PROA ATOM 659 HD1 PHE P 40 12.092 40.882 118.425 1.00 0.00 PROA ATOM 660 CE1 PHE P 40 10.893 39.245 119.078 1.00 0.00 PROA ATOM 661 HE1 PHE P 40 11.726 38.717 119.518 1.00 0.00 PROA ATOM 662 CZ PHE P 40 9.625 38.706 119.143 1.00 0.00 PROA ATOM 663 HZ PHE P 40 9.459 37.769 119.654 1.00 0.00 PROA ATOM 664 CD2 PHE P 40 8.793 40.579 117.917 1.00 0.00 PROA ATOM 665 HD2 PHE P 40 7.961 41.093 117.459 1.00 0.00 PROA ATOM 666 CE2 PHE P 40 8.581 39.364 118.558 1.00 0.00 PROA ATOM 667 HE2 PHE P 40 7.589 38.939 118.594 1.00 0.00 PROA ATOM 668 C PHE P 40 10.214 41.249 115.011 1.00 0.00 PROA ATOM 669 O PHE P 40 10.777 40.168 114.800 1.00 0.00 PROA ATOM 670 N TRP P 41 8.986 41.523 114.555 1.00 0.00 PROA ATOM 671 HN TRP P 41 8.612 42.447 114.572 1.00 0.00 PROA ATOM 672 CA TRP P 41 8.113 40.492 114.004 1.00 0.00 PROA ATOM 673 HA TRP P 41 8.107 39.652 114.682 1.00 0.00 PROA ATOM 674 CB TRP P 41 6.702 41.063 113.838 1.00 0.00 PROA ATOM 675 HB1 TRP P 41 6.702 41.790 112.999 1.00 0.00 PROA ATOM 676 HB2 TRP P 41 6.411 41.586 114.774 1.00 0.00 PROA ATOM 677 CG TRP P 41 5.700 40.017 113.553 1.00 0.00 PROA ATOM 678 CD1 TRP P 41 5.089 39.775 112.365 1.00 0.00 PROA ATOM 679 HD1 TRP P 41 5.260 40.333 111.456 1.00 0.00 PROA ATOM 680 NE1 TRP P 41 4.221 38.716 112.488 1.00 0.00 PROA ATOM 681 HE1 TRP P 41 3.661 38.356 111.775 1.00 0.00 PROA ATOM 682 CE2 TRP P 41 4.270 38.248 113.776 1.00 0.00 PROA ATOM 683 CD2 TRP P 41 5.198 39.042 114.475 1.00 0.00 PROA ATOM 684 CE3 TRP P 41 5.430 38.777 115.830 1.00 0.00 PROA ATOM 685 HE3 TRP P 41 6.121 39.368 116.413 1.00 0.00 PROA ATOM 686 CZ3 TRP P 41 4.757 37.737 116.423 1.00 0.00 PROA ATOM 687 HZ3 TRP P 41 4.933 37.517 117.465 1.00 0.00 PROA ATOM 688 CZ2 TRP P 41 3.586 37.196 114.378 1.00 0.00 PROA ATOM 689 HZ2 TRP P 41 2.877 36.584 113.840 1.00 0.00 PROA ATOM 690 CH2 TRP P 41 3.844 36.955 115.698 1.00 0.00 PROA ATOM 691 HH2 TRP P 41 3.333 36.144 116.195 1.00 0.00 PROA ATOM 692 C TRP P 41 8.624 39.936 112.680 1.00 0.00 PROA ATOM 693 O TRP P 41 8.444 38.746 112.396 1.00 0.00 PROA ATOM 694 N ILE P 42 9.249 40.762 111.844 1.00 0.00 PROA ATOM 695 HN ILE P 42 9.462 41.711 112.063 1.00 0.00 PROA ATOM 696 CA ILE P 42 9.651 40.265 110.530 1.00 0.00 PROA ATOM 697 HA ILE P 42 8.786 39.816 110.064 1.00 0.00 PROA ATOM 698 CB ILE P 42 10.195 41.410 109.654 1.00 0.00 PROA ATOM 699 HB ILE P 42 9.413 42.192 109.546 1.00 0.00 PROA ATOM 700 CG2 ILE P 42 11.422 42.019 110.267 1.00 0.00 PROA ATOM 701 HG21 ILE P 42 12.272 41.306 110.209 1.00 0.00 PROA ATOM 702 HG22 ILE P 42 11.232 42.258 111.335 1.00 0.00 PROA ATOM 703 HG23 ILE P 42 11.698 42.946 109.720 1.00 0.00 PROA ATOM 704 CG1 ILE P 42 10.515 40.916 108.243 1.00 0.00 PROA ATOM 705 HG11 ILE P 42 9.630 40.376 107.846 1.00 0.00 PROA ATOM 706 HG12 ILE P 42 11.371 40.211 108.299 1.00 0.00 PROA ATOM 707 CD ILE P 42 10.872 42.041 107.279 1.00 0.00 PROA ATOM 708 HD1 ILE P 42 11.861 42.472 107.545 1.00 0.00 PROA ATOM 709 HD2 ILE P 42 10.108 42.845 107.337 1.00 0.00 PROA ATOM 710 HD3 ILE P 42 10.924 41.648 106.241 1.00 0.00 PROA ATOM 711 C ILE P 42 10.611 39.082 110.670 1.00 0.00 PROA ATOM 712 O ILE P 42 10.549 38.119 109.893 1.00 0.00 PROA ATOM 713 N SER P 43 11.483 39.112 111.680 1.00 0.00 PROA ATOM 714 HN SER P 43 11.575 39.890 112.297 1.00 0.00 PROA ATOM 715 CA SER P 43 12.357 37.969 111.919 1.00 0.00 PROA ATOM 716 HA SER P 43 12.585 37.514 110.966 1.00 0.00 PROA ATOM 717 CB SER P 43 13.638 38.423 112.613 1.00 0.00 PROA ATOM 718 HB1 SER P 43 14.209 37.534 112.956 1.00 0.00 PROA ATOM 719 HB2 SER P 43 13.381 39.057 113.488 1.00 0.00 PROA ATOM 720 OG SER P 43 14.456 39.173 111.739 1.00 0.00 PROA ATOM 721 HG1 SER P 43 14.663 38.590 111.005 1.00 0.00 PROA ATOM 722 C SER P 43 11.675 36.900 112.761 1.00 0.00 PROA ATOM 723 O SER P 43 11.804 35.702 112.478 1.00 0.00 PROA ATOM 724 N TYR P 44 10.961 37.307 113.809 1.00 0.00 PROA ATOM 725 HN TYR P 44 10.762 38.266 113.996 1.00 0.00 PROA ATOM 726 CA TYR P 44 10.434 36.323 114.741 1.00 0.00 PROA ATOM 727 HA TYR P 44 11.254 35.715 115.093 1.00 0.00 PROA ATOM 728 CB TYR P 44 9.758 37.035 115.905 1.00 0.00 PROA ATOM 729 HB1 TYR P 44 8.920 37.654 115.520 1.00 0.00 PROA ATOM 730 HB2 TYR P 44 10.501 37.678 116.423 1.00 0.00 PROA ATOM 731 CG TYR P 44 9.184 36.097 116.934 1.00 0.00 PROA ATOM 732 CD1 TYR P 44 10.000 35.519 117.890 1.00 0.00 PROA ATOM 733 HD1 TYR P 44 11.056 35.745 117.890 1.00 0.00 PROA ATOM 734 CE1 TYR P 44 9.495 34.664 118.839 1.00 0.00 PROA ATOM 735 HE1 TYR P 44 10.150 34.217 119.572 1.00 0.00 PROA ATOM 736 CZ TYR P 44 8.150 34.381 118.850 1.00 0.00 PROA ATOM 737 OH TYR P 44 7.656 33.533 119.819 1.00 0.00 PROA ATOM 738 HH TYR P 44 8.352 33.381 120.463 1.00 0.00 PROA ATOM 739 CD2 TYR P 44 7.828 35.805 116.962 1.00 0.00 PROA ATOM 740 HD2 TYR P 44 7.170 36.254 116.233 1.00 0.00 PROA ATOM 741 CE2 TYR P 44 7.311 34.949 117.909 1.00 0.00 PROA ATOM 742 HE2 TYR P 44 6.255 34.722 117.917 1.00 0.00 PROA ATOM 743 C TYR P 44 9.449 35.397 114.051 1.00 0.00 PROA ATOM 744 O TYR P 44 9.411 34.197 114.333 1.00 0.00 PROA ATOM 745 N SER P 45 8.640 35.940 113.150 1.00 0.00 PROA ATOM 746 HN SER P 45 8.713 36.899 112.887 1.00 0.00 PROA ATOM 747 CA SER P 45 7.597 35.179 112.488 1.00 0.00 PROA ATOM 748 HA SER P 45 7.264 34.404 113.162 1.00 0.00 PROA ATOM 749 CB SER P 45 6.437 36.103 112.118 1.00 0.00 PROA ATOM 750 HB1 SER P 45 6.156 36.720 112.998 1.00 0.00 PROA ATOM 751 HB2 SER P 45 5.563 35.496 111.798 1.00 0.00 PROA ATOM 752 OG SER P 45 6.806 36.967 111.054 1.00 0.00 PROA ATOM 753 HG1 SER P 45 7.445 37.582 111.422 1.00 0.00 PROA ATOM 754 C SER P 45 8.065 34.507 111.207 1.00 0.00 PROA ATOM 755 O SER P 45 7.255 33.855 110.543 1.00 0.00 PROA ATOM 756 N ASP P 46 9.332 34.666 110.828 1.00 0.00 PROA ATOM 757 HN ASP P 46 10.021 35.099 111.405 1.00 0.00 PROA ATOM 758 CA ASP P 46 9.766 34.198 109.517 1.00 0.00 PROA ATOM 759 HA ASP P 46 9.061 34.554 108.780 1.00 0.00 PROA ATOM 760 CB ASP P 46 11.169 34.726 109.215 1.00 0.00 PROA ATOM 761 HB1 ASP P 46 11.895 34.237 109.899 1.00 0.00 PROA ATOM 762 HB2 ASP P 46 11.188 35.823 109.386 1.00 0.00 PROA ATOM 763 CG ASP P 46 11.595 34.452 107.780 1.00 0.00 PROA ATOM 764 OD1 ASP P 46 11.000 35.085 106.884 1.00 0.00 PROA ATOM 765 OD2 ASP P 46 12.500 33.612 107.545 1.00 0.00 PROA ATOM 766 C ASP P 46 9.740 32.677 109.429 1.00 0.00 PROA ATOM 767 O ASP P 46 9.437 32.114 108.369 1.00 0.00 PROA ATOM 768 N GLY P 47 10.074 31.999 110.519 1.00 0.00 PROA ATOM 769 HN GLY P 47 10.229 32.448 111.395 1.00 0.00 PROA ATOM 770 CA GLY P 47 10.234 30.561 110.504 1.00 0.00 PROA ATOM 771 HA1 GLY P 47 9.519 30.152 109.806 1.00 0.00 PROA ATOM 772 HA2 GLY P 47 10.036 30.192 111.499 1.00 0.00 PROA ATOM 773 C GLY P 47 11.635 30.143 110.086 1.00 0.00 PROA ATOM 774 O GLY P 47 12.385 30.890 109.458 1.00 0.00 PROA ATOM 775 N ASP P 48 11.990 28.915 110.455 1.00 0.00 PROA ATOM 776 HN ASP P 48 11.373 28.323 110.967 1.00 0.00 PROA ATOM 777 CA ASP P 48 13.301 28.346 110.140 1.00 0.00 PROA ATOM 778 HA ASP P 48 13.985 29.159 109.945 1.00 0.00 PROA ATOM 779 CB ASP P 48 13.791 27.503 111.312 1.00 0.00 PROA ATOM 780 HB1 ASP P 48 13.083 26.662 111.470 1.00 0.00 PROA ATOM 781 HB2 ASP P 48 13.815 28.136 112.224 1.00 0.00 PROA ATOM 782 CG ASP P 48 15.178 26.927 111.092 1.00 0.00 PROA ATOM 783 OD1 ASP P 48 15.757 27.124 109.998 1.00 0.00 PROA ATOM 784 OD2 ASP P 48 15.689 26.279 112.033 1.00 0.00 PROA ATOM 785 C ASP P 48 13.140 27.494 108.888 1.00 0.00 PROA ATOM 786 O ASP P 48 12.612 26.383 108.951 1.00 0.00 PROA ATOM 787 N GLN P 49 13.610 28.011 107.746 1.00 0.00 PROA ATOM 788 HN GLN P 49 14.051 28.904 107.700 1.00 0.00 PROA ATOM 789 CA GLN P 49 13.494 27.271 106.491 1.00 0.00 PROA ATOM 790 HA GLN P 49 12.518 26.811 106.462 1.00 0.00 PROA ATOM 791 CB GLN P 49 13.675 28.210 105.297 1.00 0.00 PROA ATOM 792 HB1 GLN P 49 13.894 27.598 104.397 1.00 0.00 PROA ATOM 793 HB2 GLN P 49 14.541 28.875 105.499 1.00 0.00 PROA ATOM 794 CG GLN P 49 12.446 29.084 105.006 1.00 0.00 PROA ATOM 795 HG1 GLN P 49 11.540 28.442 105.022 1.00 0.00 PROA ATOM 796 HG2 GLN P 49 12.558 29.533 103.996 1.00 0.00 PROA ATOM 797 CD GLN P 49 12.252 30.210 106.010 1.00 0.00 PROA ATOM 798 OE1 GLN P 49 13.203 30.889 106.389 1.00 0.00 PROA ATOM 799 NE2 GLN P 49 11.008 30.428 106.424 1.00 0.00 PROA ATOM 800 HE21 GLN P 49 10.821 31.156 107.084 1.00 0.00 PROA ATOM 801 HE22 GLN P 49 10.259 29.864 106.075 1.00 0.00 PROA ATOM 802 C GLN P 49 14.442 26.079 106.427 1.00 0.00 PROA ATOM 803 O GLN P 49 14.330 25.270 105.501 1.00 0.00 PROA ATOM 804 N CYS P 50 15.349 25.942 107.397 1.00 0.00 PROA ATOM 805 HN CYS P 50 15.501 26.655 108.077 1.00 0.00 PROA ATOM 806 CA CYS P 50 16.177 24.752 107.533 1.00 0.00 PROA ATOM 807 HA CYS P 50 16.427 24.397 106.544 1.00 0.00 PROA ATOM 808 CB CYS P 50 17.444 25.100 108.317 1.00 0.00 PROA ATOM 809 HB1 CYS P 50 17.968 24.156 108.575 1.00 0.00 PROA ATOM 810 HB2 CYS P 50 17.146 25.603 109.261 1.00 0.00 PROA ATOM 811 SG CYS P 50 18.559 26.168 107.398 1.00 0.00 PROA ATOM 812 HG1 CYS P 50 17.891 27.283 107.657 1.00 0.00 PROA ATOM 813 C CYS P 50 15.457 23.613 108.238 1.00 0.00 PROA ATOM 814 O CYS P 50 15.999 22.504 108.311 1.00 0.00 PROA ATOM 815 N ALA P 51 14.250 23.851 108.749 1.00 0.00 PROA ATOM 816 HN ALA P 51 13.771 24.717 108.631 1.00 0.00 PROA ATOM 817 CA ALA P 51 13.571 22.819 109.521 1.00 0.00 PROA ATOM 818 HA ALA P 51 14.244 22.477 110.294 1.00 0.00 PROA ATOM 819 CB ALA P 51 12.294 23.386 110.136 1.00 0.00 PROA ATOM 820 HB1 ALA P 51 11.612 23.745 109.336 1.00 0.00 PROA ATOM 821 HB2 ALA P 51 12.542 24.241 110.801 1.00 0.00 PROA ATOM 822 HB3 ALA P 51 11.772 22.597 110.719 1.00 0.00 PROA ATOM 823 C ALA P 51 13.254 21.602 108.666 1.00 0.00 PROA ATOM 824 O ALA P 51 13.133 20.489 109.191 1.00 0.00 PROA ATOM 825 N SER P 52 13.108 21.793 107.359 1.00 0.00 PROA ATOM 826 HN SER P 52 13.178 22.699 106.950 1.00 0.00 PROA ATOM 827 CA SER P 52 12.838 20.702 106.435 1.00 0.00 PROA ATOM 828 HA SER P 52 12.232 19.968 106.944 1.00 0.00 PROA ATOM 829 CB SER P 52 12.108 21.243 105.205 1.00 0.00 PROA ATOM 830 HB1 SER P 52 11.132 21.675 105.512 1.00 0.00 PROA ATOM 831 HB2 SER P 52 11.936 20.417 104.482 1.00 0.00 PROA ATOM 832 OG SER P 52 12.869 22.254 104.565 1.00 0.00 PROA ATOM 833 HG1 SER P 52 13.622 21.808 104.170 1.00 0.00 PROA ATOM 834 C SER P 52 14.103 19.958 106.022 1.00 0.00 PROA ATOM 835 O SER P 52 14.031 19.081 105.153 1.00 0.00 PROA ATOM 836 NT SER P 52 15.252 20.318 106.654 1.00 0.00 PROA ATOM 837 HT1 SER P 52 15.236 21.037 107.349 1.00 0.00 PROA ATOM 838 HT2 SER P 52 16.113 19.864 106.424 1.00 0.00 PROA ATOM 839 CAL CAL H 202 -2.794 40.182 125.455 1.00 0.00 HETA ATOM 840 CAL CAL H 203 0.724 40.059 127.045 1.00 0.00 HETB ATOM 841 CAL CAL H 204 0.727 36.372 126.860 1.00 0.00 HETC ATOM 842 CAL CAL H 205 2.263 33.296 128.533 1.00 0.00 HETD ATOM 843 CAL CAL H 206 14.106 31.742 130.145 1.00 0.00 HETE ATOM 844 CAL CAL H 207 5.203 29.879 130.254 1.00 0.00 HETF ATOM 845 CAL CAL H 208 -3.674 44.408 123.717 1.00 0.00 HETG ATOM 846 C1 DPE H 452 1.280 38.968 130.508 1.00 0.00 HETH ATOM 847 H1 DPE H 452 2.096 39.102 131.224 1.00 0.00 HETH ATOM 848 H2 DPE H 452 0.316 39.045 131.019 1.00 0.00 HETH ATOM 849 N DPE H 452 1.361 37.529 130.208 1.00 0.00 HETH ATOM 850 H3 DPE H 452 1.226 36.984 131.083 1.00 0.00 HETH ATOM 851 H4 DPE H 452 2.294 37.311 129.805 1.00 0.00 HETH ATOM 852 H5 DPE H 452 0.620 37.275 129.524 1.00 0.00 HETH ATOM 853 C2 DPE H 452 1.351 40.162 129.561 1.00 0.00 HETH ATOM 854 H6 DPE H 452 1.728 39.817 128.575 1.00 0.00 HETH ATOM 855 H7 DPE H 452 2.056 40.911 129.979 1.00 0.00 HETH ATOM 856 O1 DPE H 452 0.053 40.811 129.359 1.00 0.00 HETH ATOM 857 P DPE H 452 -0.088 42.350 128.794 1.00 0.00 HETH ATOM 858 O2 DPE H 452 -0.270 43.315 129.894 1.00 0.00 HETH ATOM 859 O3 DPE H 452 1.081 42.460 127.918 1.00 0.00 HETH ATOM 860 O4 DPE H 452 -1.411 42.407 127.864 1.00 0.00 HETH ATOM 861 C3 DPE H 452 -2.692 42.320 128.452 1.00 0.00 HETH ATOM 862 H8 DPE H 452 -2.754 43.103 129.237 1.00 0.00 HETH ATOM 863 H9 DPE H 452 -2.776 41.319 128.925 1.00 0.00 HETH ATOM 864 C4 DPE H 452 -3.888 42.500 127.504 1.00 0.00 HETH ATOM 865 H10 DPE H 452 -3.818 41.722 126.716 1.00 0.00 HETH ATOM 866 O5 DPE H 452 -4.011 43.786 126.835 1.00 0.00 HETH ATOM 867 C5 DPE H 452 -5.190 42.156 128.241 1.00 0.00 HETH ATOM 868 H11 DPE H 452 -5.138 41.104 128.595 1.00 0.00 HETH ATOM 869 H12 DPE H 452 -6.043 42.262 127.537 1.00 0.00 HETH ATOM 870 O6 DPE H 452 -5.427 43.015 129.384 1.00 0.00 HETH ATOM 871 C6 DPE H 452 -6.077 42.668 130.510 1.00 0.00 HETH ATOM 872 O7 DPE H 452 -6.212 43.516 131.387 1.00 0.00 HETH ATOM 873 C7 DPE H 452 -6.658 41.270 130.706 1.00 0.00 HETH ATOM 874 H13 DPE H 452 -5.831 40.538 130.828 1.00 0.00 HETH ATOM 875 H14 DPE H 452 -7.262 40.986 129.817 1.00 0.00 HETH ATOM 876 H15 DPE H 452 -7.293 41.252 131.618 1.00 0.00 HETH ATOM 877 C8 DPE H 452 -3.892 45.068 127.234 1.00 0.00 HETH ATOM 878 C9 DPE H 452 -3.249 45.483 128.554 1.00 0.00 HETH ATOM 879 H16 DPE H 452 -2.195 45.133 128.579 1.00 0.00 HETH ATOM 880 H17 DPE H 452 -3.801 45.023 129.401 1.00 0.00 HETH ATOM 881 H18 DPE H 452 -3.264 46.590 128.647 1.00 0.00 HETH ATOM 882 O8 DPE H 452 -4.347 45.928 126.482 1.00 0.00 HETH TER 883 DPE 452 END If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |