USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 MET CE :methyl -148:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 ASN : amide:sc= 0 K(o=0,f=-4.1) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 22:sc= 0.14 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 100:sc= 1.65 USER MOD Single : A 13 ASN : amide:sc= -2.5 K(o=-2.5,f=-6.4!) USER MOD Single : A 15 LYS NZ :NH3+ -139:sc= -0.182 (180deg=-1.21) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 172:sc= 0.0434 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 28 MET CE :methyl 155:sc= -0.0515 (180deg=-0.473) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -130:sc= -0.111 (180deg=-2.77!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.0999 USER MOD Single : A 56 SER OG : rot 27:sc= 1.08 USER MOD Single : A 61 GLN : amide:sc= -0.871 K(o=-0.87,f=-4.3!) USER MOD Single : A 65 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.9) USER MOD Single : A 70 THR OG1 : rot 26:sc= -0.384! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 159:sc= -0.214 (180deg=-0.73) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00478 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 174:sc= -2.07! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 5.884 13.463 30.190 1.00 0.00 N ATOM 34 CA LYS A 3 6.993 12.993 31.015 1.00 0.00 C ATOM 35 C LYS A 3 8.054 14.079 31.146 1.00 0.00 C ATOM 36 O LYS A 3 9.208 13.882 30.765 1.00 0.00 O ATOM 37 CB LYS A 3 7.606 11.738 30.399 1.00 0.00 C ATOM 38 CG LYS A 3 6.526 10.774 29.913 1.00 0.00 C ATOM 39 CD LYS A 3 6.356 10.852 28.398 1.00 0.00 C ATOM 40 CE LYS A 3 6.145 9.467 27.793 1.00 0.00 C ATOM 41 NZ LYS A 3 4.810 9.359 27.138 1.00 0.00 N ATOM 0 HA LYS A 3 6.613 12.754 32.008 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.250 12.017 29.565 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.237 11.240 31.135 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.788 9.756 30.200 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.580 11.009 30.400 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.506 11.490 28.157 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.237 11.315 27.954 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.928 9.264 27.063 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.232 8.710 28.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.696 8.406 26.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.063 9.529 27.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.738 10.066 26.378 1.00 0.00 H new ATOM 55 N VAL A 4 7.657 15.226 31.687 1.00 0.00 N ATOM 56 CA VAL A 4 8.572 16.349 31.870 1.00 0.00 C ATOM 57 C VAL A 4 9.562 16.053 32.990 1.00 0.00 C ATOM 58 O VAL A 4 9.394 15.095 33.744 1.00 0.00 O ATOM 59 CB VAL A 4 7.784 17.614 32.196 1.00 0.00 C ATOM 60 CG1 VAL A 4 6.983 18.075 30.981 1.00 0.00 C ATOM 61 CG2 VAL A 4 6.862 17.377 33.388 1.00 0.00 C ATOM 0 H VAL A 4 6.705 15.403 32.008 1.00 0.00 H new ATOM 0 HA VAL A 4 9.127 16.500 30.944 1.00 0.00 H new ATOM 0 HB VAL A 4 8.491 18.401 32.459 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.428 18.978 31.233 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.663 18.285 30.155 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.286 17.291 30.686 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.308 18.290 33.606 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.162 16.575 33.153 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.456 17.097 34.258 1.00 0.00 H new ATOM 71 N THR A 5 10.593 16.886 33.095 1.00 0.00 N ATOM 72 CA THR A 5 11.613 16.720 34.126 1.00 0.00 C ATOM 73 C THR A 5 12.261 18.060 34.450 1.00 0.00 C ATOM 74 O THR A 5 12.687 18.788 33.553 1.00 0.00 O ATOM 75 CB THR A 5 12.675 15.729 33.656 1.00 0.00 C ATOM 76 OG1 THR A 5 13.296 16.208 32.473 1.00 0.00 O ATOM 77 CG2 THR A 5 12.061 14.355 33.405 1.00 0.00 C ATOM 0 H THR A 5 10.745 17.684 32.478 1.00 0.00 H new ATOM 0 HA THR A 5 11.138 16.333 35.027 1.00 0.00 H new ATOM 0 HB THR A 5 13.426 15.631 34.440 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.184 17.180 32.415 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.836 13.666 33.071 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.616 13.981 34.327 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.291 14.435 32.637 1.00 0.00 H new ATOM 85 N PHE A 6 12.331 18.381 35.738 1.00 0.00 N ATOM 86 CA PHE A 6 12.925 19.637 36.185 1.00 0.00 C ATOM 87 C PHE A 6 14.399 19.439 36.518 1.00 0.00 C ATOM 88 O PHE A 6 14.869 18.309 36.652 1.00 0.00 O ATOM 89 CB PHE A 6 12.178 20.155 37.411 1.00 0.00 C ATOM 90 CG PHE A 6 10.718 20.416 37.137 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.843 19.354 36.973 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.251 21.717 37.047 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.503 19.594 36.719 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.910 21.956 36.793 1.00 0.00 C ATOM 95 CZ PHE A 6 8.036 20.894 36.629 1.00 0.00 C ATOM 0 H PHE A 6 11.983 17.788 36.492 1.00 0.00 H new ATOM 0 HA PHE A 6 12.846 20.369 35.381 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.267 19.429 38.219 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.649 21.076 37.756 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.206 18.339 37.043 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.932 22.545 37.175 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.822 18.766 36.591 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.546 22.970 36.723 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.991 21.080 36.431 1.00 0.00 H new ATOM 105 N THR A 7 15.126 20.545 36.647 1.00 0.00 N ATOM 106 CA THR A 7 16.550 20.494 36.962 1.00 0.00 C ATOM 107 C THR A 7 16.987 21.770 37.669 1.00 0.00 C ATOM 108 O THR A 7 17.064 22.835 37.056 1.00 0.00 O ATOM 109 CB THR A 7 17.361 20.308 35.683 1.00 0.00 C ATOM 110 OG1 THR A 7 16.505 19.923 34.618 1.00 0.00 O ATOM 111 CG2 THR A 7 18.454 19.263 35.881 1.00 0.00 C ATOM 0 H THR A 7 14.752 21.488 36.538 1.00 0.00 H new ATOM 0 HA THR A 7 16.727 19.648 37.626 1.00 0.00 H new ATOM 0 HB THR A 7 17.836 21.257 35.435 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.032 19.807 33.800 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.019 19.148 34.956 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.125 19.584 36.678 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.001 18.309 36.151 1.00 0.00 H new ATOM 119 N VAL A 8 17.278 21.656 38.961 1.00 0.00 N ATOM 120 CA VAL A 8 17.714 22.801 39.753 1.00 0.00 C ATOM 121 C VAL A 8 18.967 23.415 39.141 1.00 0.00 C ATOM 122 O VAL A 8 20.025 22.786 39.108 1.00 0.00 O ATOM 123 CB VAL A 8 17.993 22.362 41.188 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.498 23.537 42.021 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.740 21.759 41.816 1.00 0.00 C ATOM 0 H VAL A 8 17.220 20.781 39.482 1.00 0.00 H new ATOM 0 HA VAL A 8 16.923 23.551 39.758 1.00 0.00 H new ATOM 0 HB VAL A 8 18.770 21.598 41.168 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.691 23.204 43.041 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.419 23.923 41.585 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.745 24.325 42.033 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.958 21.452 42.839 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.942 22.502 41.822 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.424 20.892 41.236 1.00 0.00 H new ATOM 135 N GLU A 9 18.842 24.645 38.652 1.00 0.00 N ATOM 136 CA GLU A 9 19.965 25.343 38.035 1.00 0.00 C ATOM 137 C GLU A 9 20.819 26.027 39.095 1.00 0.00 C ATOM 138 O GLU A 9 20.358 26.283 40.207 1.00 0.00 O ATOM 139 CB GLU A 9 19.449 26.372 37.033 1.00 0.00 C ATOM 140 CG GLU A 9 19.164 25.726 35.681 1.00 0.00 C ATOM 141 CD GLU A 9 19.841 26.515 34.568 1.00 0.00 C ATOM 142 OE1 GLU A 9 19.674 27.752 34.529 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.539 25.896 33.738 1.00 0.00 O ATOM 0 H GLU A 9 17.973 25.179 38.671 1.00 0.00 H new ATOM 0 HA GLU A 9 20.584 24.614 37.512 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.540 26.835 37.417 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.185 27.167 36.912 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.524 24.697 35.678 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.089 25.688 35.507 1.00 0.00 H new ATOM 150 N LYS A 10 22.066 26.320 38.742 1.00 0.00 N ATOM 151 CA LYS A 10 22.992 26.974 39.661 1.00 0.00 C ATOM 152 C LYS A 10 22.421 28.305 40.136 1.00 0.00 C ATOM 153 O LYS A 10 22.763 28.787 41.215 1.00 0.00 O ATOM 154 CB LYS A 10 24.335 27.201 38.973 1.00 0.00 C ATOM 155 CG LYS A 10 25.486 26.646 39.807 1.00 0.00 C ATOM 156 CD LYS A 10 26.432 25.805 38.955 1.00 0.00 C ATOM 157 CE LYS A 10 27.270 26.682 38.030 1.00 0.00 C ATOM 158 NZ LYS A 10 28.666 26.822 38.532 1.00 0.00 N ATOM 0 H LYS A 10 22.460 26.115 37.824 1.00 0.00 H new ATOM 0 HA LYS A 10 23.137 26.328 40.527 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.330 26.723 37.993 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.485 28.268 38.807 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.037 27.468 40.263 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.089 26.039 40.621 1.00 0.00 H new ATOM 0 HD2 LYS A 10 27.089 25.224 39.602 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.857 25.093 38.363 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.283 26.250 37.029 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.811 27.667 37.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 29.210 27.424 37.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.653 27.257 39.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 29.110 25.883 38.589 1.00 0.00 H new ATOM 172 N GLY A 11 21.550 28.896 39.322 1.00 0.00 N ATOM 173 CA GLY A 11 20.932 30.175 39.659 1.00 0.00 C ATOM 174 C GLY A 11 20.357 30.143 41.069 1.00 0.00 C ATOM 175 O GLY A 11 20.237 31.179 41.725 1.00 0.00 O ATOM 0 H GLY A 11 21.256 28.510 38.425 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.671 30.973 39.581 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.141 30.402 38.944 1.00 0.00 H new ATOM 179 N SER A 12 20.003 28.949 41.532 1.00 0.00 N ATOM 180 CA SER A 12 19.440 28.779 42.867 1.00 0.00 C ATOM 181 C SER A 12 20.420 29.278 43.921 1.00 0.00 C ATOM 182 O SER A 12 21.431 28.631 44.198 1.00 0.00 O ATOM 183 CB SER A 12 19.116 27.308 43.112 1.00 0.00 C ATOM 184 OG SER A 12 18.545 26.724 41.951 1.00 0.00 O ATOM 0 H SER A 12 20.096 28.083 41.001 1.00 0.00 H new ATOM 0 HA SER A 12 18.522 29.363 42.937 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.024 26.771 43.388 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.425 27.217 43.950 1.00 0.00 H new ATOM 0 HG SER A 12 19.232 26.221 41.466 1.00 0.00 H new ATOM 190 N ASN A 13 20.117 30.431 44.508 1.00 0.00 N ATOM 191 CA ASN A 13 20.973 31.018 45.533 1.00 0.00 C ATOM 192 C ASN A 13 20.178 31.281 46.805 1.00 0.00 C ATOM 193 O ASN A 13 19.052 31.774 46.753 1.00 0.00 O ATOM 194 CB ASN A 13 21.578 32.322 45.024 1.00 0.00 C ATOM 195 CG ASN A 13 20.489 33.221 44.455 1.00 0.00 C ATOM 196 OD1 ASN A 13 19.728 32.813 43.578 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.412 34.448 44.957 1.00 0.00 N ATOM 0 H ASN A 13 19.284 30.978 44.291 1.00 0.00 H new ATOM 0 HA ASN A 13 21.774 30.314 45.759 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.094 32.833 45.837 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.323 32.111 44.257 1.00 0.00 H new ATOM 0 HD21 ASN A 13 19.701 35.095 44.616 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.064 34.744 45.683 1.00 0.00 H new ATOM 204 N GLU A 14 20.777 30.950 47.944 1.00 0.00 N ATOM 205 CA GLU A 14 20.137 31.147 49.241 1.00 0.00 C ATOM 206 C GLU A 14 18.758 30.493 49.266 1.00 0.00 C ATOM 207 O GLU A 14 18.620 29.341 49.678 1.00 0.00 O ATOM 208 CB GLU A 14 20.026 32.639 49.542 1.00 0.00 C ATOM 209 CG GLU A 14 21.304 33.167 50.191 1.00 0.00 C ATOM 210 CD GLU A 14 20.970 34.233 51.226 1.00 0.00 C ATOM 211 OE1 GLU A 14 20.836 35.415 50.843 1.00 0.00 O ATOM 212 OE2 GLU A 14 20.843 33.886 52.419 1.00 0.00 O ATOM 0 H GLU A 14 21.710 30.542 47.996 1.00 0.00 H new ATOM 0 HA GLU A 14 20.749 30.675 50.010 1.00 0.00 H new ATOM 0 HB2 GLU A 14 19.831 33.185 48.619 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.178 32.817 50.204 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.845 32.348 50.665 1.00 0.00 H new ATOM 0 HG3 GLU A 14 21.962 33.584 49.428 1.00 0.00 H new ATOM 219 N LYS A 15 17.737 31.226 48.825 1.00 0.00 N ATOM 220 CA LYS A 15 16.374 30.703 48.804 1.00 0.00 C ATOM 221 C LYS A 15 15.873 30.560 47.370 1.00 0.00 C ATOM 222 O LYS A 15 15.020 29.720 47.084 1.00 0.00 O ATOM 223 CB LYS A 15 15.449 31.627 49.588 1.00 0.00 C ATOM 224 CG LYS A 15 15.544 33.063 49.082 1.00 0.00 C ATOM 225 CD LYS A 15 14.638 33.992 49.885 1.00 0.00 C ATOM 226 CE LYS A 15 14.532 35.364 49.226 1.00 0.00 C ATOM 227 NZ LYS A 15 13.378 36.137 49.766 1.00 0.00 N ATOM 0 H LYS A 15 17.828 32.181 48.479 1.00 0.00 H new ATOM 0 HA LYS A 15 16.376 29.717 49.270 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.421 31.275 49.501 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.709 31.594 50.646 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.576 33.408 49.151 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.265 33.100 48.029 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.645 33.550 49.973 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.029 34.101 50.897 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.454 35.921 49.391 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.420 35.244 48.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.898 36.633 48.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.710 35.487 50.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.720 36.831 50.461 1.00 0.00 H new ATOM 241 N HIS A 16 16.406 31.383 46.471 1.00 0.00 N ATOM 242 CA HIS A 16 16.011 31.345 45.064 1.00 0.00 C ATOM 243 C HIS A 16 16.054 29.916 44.535 1.00 0.00 C ATOM 244 O HIS A 16 17.015 29.185 44.775 1.00 0.00 O ATOM 245 CB HIS A 16 16.938 32.234 44.240 1.00 0.00 C ATOM 246 CG HIS A 16 16.428 33.635 44.103 1.00 0.00 C ATOM 247 ND1 HIS A 16 16.355 34.516 45.151 1.00 0.00 N ATOM 248 CD2 HIS A 16 15.958 34.326 43.032 1.00 0.00 C ATOM 249 CE1 HIS A 16 15.873 35.673 44.760 1.00 0.00 C ATOM 250 NE2 HIS A 16 15.618 35.595 43.465 1.00 0.00 N ATOM 0 H HIS A 16 17.113 32.085 46.691 1.00 0.00 H new ATOM 0 HA HIS A 16 14.990 31.716 44.979 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.923 32.255 44.706 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.064 31.799 43.248 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.866 33.952 42.023 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.713 36.538 45.387 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.236 36.342 42.885 1.00 0.00 H new ATOM 258 N LEU A 17 15.007 29.523 43.817 1.00 0.00 N ATOM 259 CA LEU A 17 14.925 28.178 43.256 1.00 0.00 C ATOM 260 C LEU A 17 14.855 28.240 41.735 1.00 0.00 C ATOM 261 O LEU A 17 13.796 28.492 41.161 1.00 0.00 O ATOM 262 CB LEU A 17 13.694 27.461 43.809 1.00 0.00 C ATOM 263 CG LEU A 17 13.964 25.976 44.051 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.169 25.244 42.728 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.175 25.786 44.961 1.00 0.00 C ATOM 0 H LEU A 17 14.203 30.116 43.610 1.00 0.00 H new ATOM 0 HA LEU A 17 15.820 27.623 43.539 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.388 27.932 44.743 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.865 27.571 43.110 1.00 0.00 H new ATOM 0 HG LEU A 17 13.093 25.550 44.549 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.360 24.189 42.922 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.274 25.344 42.114 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.020 25.676 42.201 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.348 24.721 45.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.054 26.231 44.495 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.989 26.270 45.920 1.00 0.00 H new ATOM 277 N ALA A 18 15.993 28.006 41.089 1.00 0.00 N ATOM 278 CA ALA A 18 16.070 28.032 39.632 1.00 0.00 C ATOM 279 C ALA A 18 16.006 26.616 39.075 1.00 0.00 C ATOM 280 O ALA A 18 16.731 25.729 39.525 1.00 0.00 O ATOM 281 CB ALA A 18 17.366 28.706 39.190 1.00 0.00 C ATOM 0 H ALA A 18 16.877 27.796 41.553 1.00 0.00 H new ATOM 0 HA ALA A 18 15.223 28.600 39.247 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.415 28.721 38.101 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.392 29.728 39.569 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.217 28.151 39.584 1.00 0.00 H new ATOM 287 N VAL A 19 15.134 26.411 38.095 1.00 0.00 N ATOM 288 CA VAL A 19 14.973 25.100 37.476 1.00 0.00 C ATOM 289 C VAL A 19 15.132 25.207 35.965 1.00 0.00 C ATOM 290 O VAL A 19 14.768 26.217 35.362 1.00 0.00 O ATOM 291 CB VAL A 19 13.601 24.526 37.819 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.451 24.370 39.330 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.492 25.414 37.262 1.00 0.00 C ATOM 0 H VAL A 19 14.527 27.136 37.712 1.00 0.00 H new ATOM 0 HA VAL A 19 15.743 24.432 37.862 1.00 0.00 H new ATOM 0 HB VAL A 19 13.516 23.542 37.359 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.467 23.960 39.558 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.221 23.695 39.704 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.558 25.343 39.809 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.522 24.988 37.517 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.574 26.412 37.692 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.587 25.477 36.178 1.00 0.00 H new ATOM 303 N LEU A 20 15.681 24.161 35.357 1.00 0.00 N ATOM 304 CA LEU A 20 15.890 24.138 33.913 1.00 0.00 C ATOM 305 C LEU A 20 14.744 23.405 33.224 1.00 0.00 C ATOM 306 O LEU A 20 14.916 22.295 32.720 1.00 0.00 O ATOM 307 CB LEU A 20 17.218 23.456 33.591 1.00 0.00 C ATOM 308 CG LEU A 20 17.988 24.219 32.517 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.322 23.536 32.228 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.159 24.335 31.241 1.00 0.00 C ATOM 0 H LEU A 20 15.989 23.318 35.841 1.00 0.00 H new ATOM 0 HA LEU A 20 15.918 25.164 33.545 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.823 23.388 34.495 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.033 22.436 33.253 1.00 0.00 H new ATOM 0 HG LEU A 20 18.188 25.224 32.888 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.857 24.094 31.460 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.920 23.506 33.139 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.142 22.519 31.879 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.726 24.882 30.488 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.926 23.338 30.867 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.233 24.868 31.456 1.00 0.00 H new ATOM 322 N VAL A 21 13.572 24.032 33.207 1.00 0.00 N ATOM 323 CA VAL A 21 12.394 23.439 32.582 1.00 0.00 C ATOM 324 C VAL A 21 12.497 23.524 31.064 1.00 0.00 C ATOM 325 O VAL A 21 12.189 24.556 30.468 1.00 0.00 O ATOM 326 CB VAL A 21 11.134 24.155 33.058 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.887 23.435 32.553 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.117 24.251 34.581 1.00 0.00 C ATOM 0 H VAL A 21 13.412 24.951 33.619 1.00 0.00 H new ATOM 0 HA VAL A 21 12.339 22.389 32.870 1.00 0.00 H new ATOM 0 HB VAL A 21 11.137 25.166 32.650 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.998 23.960 32.902 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.893 23.417 31.463 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.878 22.413 32.933 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.211 24.765 34.903 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.138 23.249 35.009 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.990 24.808 34.920 1.00 0.00 H new ATOM 338 N LYS A 22 12.932 22.432 30.444 1.00 0.00 N ATOM 339 CA LYS A 22 13.076 22.381 28.993 1.00 0.00 C ATOM 340 C LYS A 22 13.203 20.937 28.522 1.00 0.00 C ATOM 341 O LYS A 22 13.770 20.095 29.218 1.00 0.00 O ATOM 342 CB LYS A 22 14.307 23.176 28.565 1.00 0.00 C ATOM 343 CG LYS A 22 14.001 24.064 27.363 1.00 0.00 C ATOM 344 CD LYS A 22 15.187 24.124 26.404 1.00 0.00 C ATOM 345 CE LYS A 22 14.736 23.956 24.956 1.00 0.00 C ATOM 346 NZ LYS A 22 14.685 22.517 24.570 1.00 0.00 N ATOM 0 H LYS A 22 13.191 21.570 30.924 1.00 0.00 H new ATOM 0 HA LYS A 22 12.188 22.821 28.538 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.653 23.791 29.396 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.117 22.491 28.317 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.125 23.682 26.839 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.755 25.070 27.704 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.703 25.077 26.519 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.903 23.342 26.658 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.752 24.405 24.825 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.420 24.488 24.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.375 22.434 23.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.630 22.096 24.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.014 22.016 25.186 1.00 0.00 H new ATOM 360 N TYR A 23 12.670 20.656 27.337 1.00 0.00 N ATOM 361 CA TYR A 23 12.723 19.312 26.771 1.00 0.00 C ATOM 362 C TYR A 23 12.190 19.314 25.343 1.00 0.00 C ATOM 363 O TYR A 23 11.207 19.990 25.039 1.00 0.00 O ATOM 364 CB TYR A 23 11.903 18.353 27.629 1.00 0.00 C ATOM 365 CG TYR A 23 10.501 18.844 27.883 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.549 18.773 26.881 1.00 0.00 C ATOM 367 CD2 TYR A 23 10.163 19.368 29.120 1.00 0.00 C ATOM 368 CE1 TYR A 23 8.261 19.224 27.115 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.874 19.818 29.352 1.00 0.00 C ATOM 370 CZ TYR A 23 7.930 19.744 28.349 1.00 0.00 C ATOM 371 OH TYR A 23 6.649 20.193 28.580 1.00 0.00 O ATOM 0 H TYR A 23 12.196 21.342 26.749 1.00 0.00 H new ATOM 0 HA TYR A 23 13.762 18.982 26.756 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.858 17.381 27.137 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.409 18.204 28.583 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.811 18.365 25.916 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.904 19.426 29.903 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.518 19.169 26.334 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.608 20.226 30.316 1.00 0.00 H new ATOM 0 HH TYR A 23 6.542 20.403 29.531 1.00 0.00 H new ATOM 381 N GLU A 24 12.845 18.555 24.471 1.00 0.00 N ATOM 382 CA GLU A 24 12.437 18.469 23.072 1.00 0.00 C ATOM 383 C GLU A 24 10.956 18.128 22.972 1.00 0.00 C ATOM 384 O GLU A 24 10.464 17.242 23.670 1.00 0.00 O ATOM 385 CB GLU A 24 13.265 17.409 22.351 1.00 0.00 C ATOM 386 CG GLU A 24 13.661 17.875 20.953 1.00 0.00 C ATOM 387 CD GLU A 24 14.914 17.144 20.489 1.00 0.00 C ATOM 388 OE1 GLU A 24 15.907 17.124 21.246 1.00 0.00 O ATOM 389 OE2 GLU A 24 14.900 16.593 19.368 1.00 0.00 O ATOM 0 H GLU A 24 13.661 17.990 24.708 1.00 0.00 H new ATOM 0 HA GLU A 24 12.606 19.436 22.599 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.161 17.187 22.931 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.694 16.483 22.280 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.844 17.690 20.255 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.839 18.950 20.957 1.00 0.00 H new ATOM 396 N GLY A 25 10.249 18.837 22.098 1.00 0.00 N ATOM 397 CA GLY A 25 8.821 18.612 21.903 1.00 0.00 C ATOM 398 C GLY A 25 8.046 19.914 22.053 1.00 0.00 C ATOM 399 O GLY A 25 8.147 20.808 21.213 1.00 0.00 O ATOM 0 H GLY A 25 10.643 19.574 21.512 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.646 18.191 20.913 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.460 17.883 22.628 1.00 0.00 H new ATOM 403 N ASP A 26 7.273 20.017 23.129 1.00 0.00 N ATOM 404 CA ASP A 26 6.480 21.213 23.390 1.00 0.00 C ATOM 405 C ASP A 26 7.392 22.396 23.687 1.00 0.00 C ATOM 406 O ASP A 26 8.458 22.236 24.282 1.00 0.00 O ATOM 407 CB ASP A 26 5.542 20.971 24.569 1.00 0.00 C ATOM 408 CG ASP A 26 4.240 20.344 24.088 1.00 0.00 C ATOM 409 OD1 ASP A 26 3.822 20.639 22.948 1.00 0.00 O ATOM 410 OD2 ASP A 26 3.639 19.558 24.851 1.00 0.00 O ATOM 0 H ASP A 26 7.179 19.287 23.835 1.00 0.00 H new ATOM 0 HA ASP A 26 5.887 21.440 22.504 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.022 20.316 25.296 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.334 21.913 25.077 1.00 0.00 H new ATOM 415 N THR A 27 6.970 23.583 23.268 1.00 0.00 N ATOM 416 CA THR A 27 7.751 24.796 23.487 1.00 0.00 C ATOM 417 C THR A 27 7.538 25.317 24.903 1.00 0.00 C ATOM 418 O THR A 27 6.926 24.648 25.736 1.00 0.00 O ATOM 419 CB THR A 27 7.353 25.862 22.470 1.00 0.00 C ATOM 420 OG1 THR A 27 6.607 25.272 21.416 1.00 0.00 O ATOM 421 CG2 THR A 27 8.587 26.561 21.910 1.00 0.00 C ATOM 0 H THR A 27 6.090 23.732 22.774 1.00 0.00 H new ATOM 0 HA THR A 27 8.807 24.560 23.360 1.00 0.00 H new ATOM 0 HB THR A 27 6.735 26.606 22.973 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.354 25.962 20.768 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.280 27.317 21.187 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.135 27.037 22.723 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.229 25.829 21.419 1.00 0.00 H new ATOM 429 N MET A 28 8.051 26.513 25.171 1.00 0.00 N ATOM 430 CA MET A 28 7.924 27.126 26.490 1.00 0.00 C ATOM 431 C MET A 28 7.138 28.425 26.402 1.00 0.00 C ATOM 432 O MET A 28 7.488 29.324 25.638 1.00 0.00 O ATOM 433 CB MET A 28 9.306 27.402 27.062 1.00 0.00 C ATOM 434 CG MET A 28 10.110 26.114 27.214 1.00 0.00 C ATOM 435 SD MET A 28 11.692 26.186 26.359 1.00 0.00 S ATOM 436 CE MET A 28 12.444 27.614 27.155 1.00 0.00 C ATOM 0 H MET A 28 8.560 27.079 24.492 1.00 0.00 H new ATOM 0 HA MET A 28 7.389 26.438 27.144 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.841 28.092 26.410 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.210 27.890 28.032 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.281 25.919 28.273 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.528 25.278 26.826 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.529 27.539 27.087 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.112 28.525 26.657 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.147 27.644 28.203 1.00 0.00 H new ATOM 446 N ALA A 29 6.070 28.517 27.186 1.00 0.00 N ATOM 447 CA ALA A 29 5.225 29.706 27.197 1.00 0.00 C ATOM 448 C ALA A 29 5.303 30.401 28.549 1.00 0.00 C ATOM 449 O ALA A 29 5.713 31.558 28.642 1.00 0.00 O ATOM 450 CB ALA A 29 3.783 29.311 26.899 1.00 0.00 C ATOM 0 H ALA A 29 5.768 27.781 27.824 1.00 0.00 H new ATOM 0 HA ALA A 29 5.578 30.397 26.431 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.153 30.200 26.908 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.730 28.839 25.918 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.433 28.611 27.658 1.00 0.00 H new ATOM 456 N GLU A 30 4.907 29.686 29.595 1.00 0.00 N ATOM 457 CA GLU A 30 4.929 30.227 30.949 1.00 0.00 C ATOM 458 C GLU A 30 4.964 29.096 31.967 1.00 0.00 C ATOM 459 O GLU A 30 4.459 28.004 31.711 1.00 0.00 O ATOM 460 CB GLU A 30 3.699 31.098 31.183 1.00 0.00 C ATOM 461 CG GLU A 30 3.990 32.204 32.193 1.00 0.00 C ATOM 462 CD GLU A 30 2.935 32.208 33.291 1.00 0.00 C ATOM 463 OE1 GLU A 30 1.748 32.437 32.976 1.00 0.00 O ATOM 464 OE2 GLU A 30 3.297 31.982 34.465 1.00 0.00 O ATOM 0 H GLU A 30 4.566 28.727 29.531 1.00 0.00 H new ATOM 0 HA GLU A 30 5.825 30.836 31.068 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.378 31.539 30.239 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.876 30.481 31.543 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.978 32.057 32.629 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.005 33.171 31.690 1.00 0.00 H new ATOM 471 N VAL A 31 5.563 29.362 33.121 1.00 0.00 N ATOM 472 CA VAL A 31 5.666 28.364 34.179 1.00 0.00 C ATOM 473 C VAL A 31 4.964 28.859 35.438 1.00 0.00 C ATOM 474 O VAL A 31 4.624 30.037 35.546 1.00 0.00 O ATOM 475 CB VAL A 31 7.134 28.063 34.474 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.263 26.796 35.314 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.923 27.922 33.174 1.00 0.00 C ATOM 0 H VAL A 31 5.986 30.262 33.349 1.00 0.00 H new ATOM 0 HA VAL A 31 5.180 27.446 33.847 1.00 0.00 H new ATOM 0 HB VAL A 31 7.548 28.897 35.041 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.316 26.598 35.514 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.733 26.929 36.257 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.832 25.954 34.772 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.967 27.708 33.403 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.507 27.107 32.582 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.859 28.851 32.607 1.00 0.00 H new ATOM 487 N GLU A 32 4.739 27.952 36.384 1.00 0.00 N ATOM 488 CA GLU A 32 4.064 28.298 37.630 1.00 0.00 C ATOM 489 C GLU A 32 4.508 27.348 38.745 1.00 0.00 C ATOM 490 O GLU A 32 4.687 26.150 38.524 1.00 0.00 O ATOM 491 CB GLU A 32 2.540 28.273 37.387 1.00 0.00 C ATOM 492 CG GLU A 32 1.718 27.795 38.589 1.00 0.00 C ATOM 493 CD GLU A 32 1.698 28.864 39.669 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.952 29.853 39.514 1.00 0.00 O ATOM 495 OE2 GLU A 32 2.423 28.708 40.671 1.00 0.00 O ATOM 0 H GLU A 32 5.014 26.973 36.311 1.00 0.00 H new ATOM 0 HA GLU A 32 4.334 29.303 37.955 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.211 29.275 37.112 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.330 27.624 36.537 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.700 27.566 38.275 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.144 26.874 38.987 1.00 0.00 H new ATOM 502 N LEU A 33 4.703 27.904 39.939 1.00 0.00 N ATOM 503 CA LEU A 33 5.147 27.133 41.089 1.00 0.00 C ATOM 504 C LEU A 33 4.310 27.491 42.320 1.00 0.00 C ATOM 505 O LEU A 33 3.960 28.652 42.530 1.00 0.00 O ATOM 506 CB LEU A 33 6.638 27.433 41.312 1.00 0.00 C ATOM 507 CG LEU A 33 7.074 27.296 42.771 1.00 0.00 C ATOM 508 CD1 LEU A 33 6.865 25.868 43.268 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.532 27.713 42.938 1.00 0.00 C ATOM 0 H LEU A 33 4.558 28.895 40.132 1.00 0.00 H new ATOM 0 HA LEU A 33 5.016 26.065 40.913 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.233 26.757 40.698 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.852 28.446 40.970 1.00 0.00 H new ATOM 0 HG LEU A 33 6.455 27.961 43.374 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.182 25.795 44.308 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.810 25.607 43.191 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.454 25.181 42.660 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.823 27.608 43.983 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.165 27.077 42.320 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.651 28.752 42.631 1.00 0.00 H new ATOM 521 N ARG A 34 4.017 26.488 43.141 1.00 0.00 N ATOM 522 CA ARG A 34 3.245 26.696 44.360 1.00 0.00 C ATOM 523 C ARG A 34 3.992 26.102 45.558 1.00 0.00 C ATOM 524 O ARG A 34 4.874 26.755 46.117 1.00 0.00 O ATOM 525 CB ARG A 34 1.853 26.081 44.213 1.00 0.00 C ATOM 526 CG ARG A 34 1.055 26.186 45.512 1.00 0.00 C ATOM 527 CD ARG A 34 1.049 27.616 46.047 1.00 0.00 C ATOM 528 NE ARG A 34 2.064 27.775 47.082 1.00 0.00 N ATOM 529 CZ ARG A 34 2.552 28.969 47.405 1.00 0.00 C ATOM 530 NH1 ARG A 34 1.804 30.054 47.261 1.00 0.00 N ATOM 531 NH2 ARG A 34 3.789 29.079 47.871 1.00 0.00 N ATOM 0 H ARG A 34 4.303 25.522 42.984 1.00 0.00 H new ATOM 0 HA ARG A 34 3.123 27.765 44.532 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.314 26.586 43.412 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.945 25.034 43.925 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.031 25.856 45.339 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.483 25.518 46.259 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.237 28.316 45.233 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.066 27.855 46.453 1.00 0.00 H new ATOM 0 HE ARG A 34 2.409 26.949 47.571 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.853 29.974 46.902 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.180 30.969 47.509 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.368 28.247 47.982 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.161 29.996 48.118 1.00 0.00 H new ATOM 545 N GLU A 35 3.654 24.863 45.945 1.00 0.00 N ATOM 546 CA GLU A 35 4.309 24.185 47.071 1.00 0.00 C ATOM 547 C GLU A 35 3.441 23.039 47.576 1.00 0.00 C ATOM 548 O GLU A 35 3.641 21.884 47.199 1.00 0.00 O ATOM 549 CB GLU A 35 4.586 25.159 48.219 1.00 0.00 C ATOM 550 CG GLU A 35 6.080 25.445 48.342 1.00 0.00 C ATOM 551 CD GLU A 35 6.624 24.859 49.638 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.895 24.876 50.652 1.00 0.00 O ATOM 553 OE2 GLU A 35 7.779 24.383 49.637 1.00 0.00 O ATOM 0 H GLU A 35 2.927 24.309 45.492 1.00 0.00 H new ATOM 0 HA GLU A 35 5.260 23.791 46.713 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.046 26.091 48.049 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.214 24.741 49.154 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.610 25.018 47.491 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.255 26.521 48.320 1.00 0.00 H new ATOM 560 N HIS A 36 2.477 23.363 48.434 1.00 0.00 N ATOM 561 CA HIS A 36 1.579 22.359 48.994 1.00 0.00 C ATOM 562 C HIS A 36 0.614 23.004 49.981 1.00 0.00 C ATOM 563 O HIS A 36 -0.603 22.882 49.843 1.00 0.00 O ATOM 564 CB HIS A 36 2.387 21.270 49.694 1.00 0.00 C ATOM 565 CG HIS A 36 1.785 19.909 49.538 1.00 0.00 C ATOM 566 ND1 HIS A 36 1.938 19.144 48.411 1.00 0.00 N ATOM 567 CD2 HIS A 36 1.020 19.156 50.370 1.00 0.00 C ATOM 568 CE1 HIS A 36 1.313 17.996 48.533 1.00 0.00 C ATOM 569 NE2 HIS A 36 0.737 17.967 49.723 1.00 0.00 N ATOM 0 H HIS A 36 2.298 24.314 48.756 1.00 0.00 H new ATOM 0 HA HIS A 36 1.004 21.912 48.183 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.401 21.262 49.293 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.466 21.508 50.755 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.691 19.436 51.360 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.276 17.212 47.791 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.180 17.200 50.099 1.00 0.00 H new ATOM 577 N GLY A 37 1.165 23.692 50.975 1.00 0.00 N ATOM 578 CA GLY A 37 0.353 24.359 51.987 1.00 0.00 C ATOM 579 C GLY A 37 -0.574 25.382 51.343 1.00 0.00 C ATOM 580 O GLY A 37 -1.785 25.174 51.263 1.00 0.00 O ATOM 0 H GLY A 37 2.171 23.803 51.102 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.235 23.621 52.534 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.000 24.852 52.713 1.00 0.00 H new ATOM 584 N SER A 38 0.002 26.487 50.880 1.00 0.00 N ATOM 585 CA SER A 38 -0.772 27.544 50.238 1.00 0.00 C ATOM 586 C SER A 38 -1.522 26.989 49.035 1.00 0.00 C ATOM 587 O SER A 38 -0.918 26.442 48.113 1.00 0.00 O ATOM 588 CB SER A 38 0.153 28.677 49.800 1.00 0.00 C ATOM 589 OG SER A 38 -0.420 29.937 50.113 1.00 0.00 O ATOM 0 H SER A 38 1.003 26.674 50.937 1.00 0.00 H new ATOM 0 HA SER A 38 -1.495 27.934 50.954 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.119 28.577 50.295 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.336 28.611 48.728 1.00 0.00 H new ATOM 0 HG SER A 38 0.186 30.652 49.827 1.00 0.00 H new ATOM 595 N ASP A 39 -2.844 27.130 49.051 1.00 0.00 N ATOM 596 CA ASP A 39 -3.680 26.638 47.960 1.00 0.00 C ATOM 597 C ASP A 39 -3.737 27.641 46.808 1.00 0.00 C ATOM 598 O ASP A 39 -4.493 27.451 45.855 1.00 0.00 O ATOM 599 CB ASP A 39 -5.090 26.362 48.474 1.00 0.00 C ATOM 600 CG ASP A 39 -5.068 25.241 49.506 1.00 0.00 C ATOM 601 OD1 ASP A 39 -3.965 24.768 49.850 1.00 0.00 O ATOM 602 OD2 ASP A 39 -6.156 24.838 49.969 1.00 0.00 O ATOM 0 H ASP A 39 -3.360 27.581 49.807 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.238 25.715 47.584 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.506 27.266 48.919 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.740 26.088 47.643 1.00 0.00 H new ATOM 607 N GLU A 40 -2.942 28.708 46.890 1.00 0.00 N ATOM 608 CA GLU A 40 -2.922 29.724 45.844 1.00 0.00 C ATOM 609 C GLU A 40 -1.631 29.638 45.040 1.00 0.00 C ATOM 610 O GLU A 40 -0.587 30.129 45.469 1.00 0.00 O ATOM 611 CB GLU A 40 -3.057 31.112 46.461 1.00 0.00 C ATOM 612 CG GLU A 40 -4.212 31.882 45.830 1.00 0.00 C ATOM 613 CD GLU A 40 -4.053 33.375 46.083 1.00 0.00 C ATOM 614 OE1 GLU A 40 -2.930 33.806 46.419 1.00 0.00 O ATOM 615 OE2 GLU A 40 -5.052 34.112 45.946 1.00 0.00 O ATOM 0 H GLU A 40 -2.307 28.889 47.667 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.763 29.547 45.174 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.219 31.022 47.535 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.128 31.666 46.324 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.243 31.689 44.758 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.159 31.535 46.244 1.00 0.00 H new ATOM 622 N TRP A 41 -1.712 29.016 43.869 1.00 0.00 N ATOM 623 CA TRP A 41 -0.554 28.867 42.995 1.00 0.00 C ATOM 624 C TRP A 41 -0.003 30.238 42.618 1.00 0.00 C ATOM 625 O TRP A 41 -0.731 31.231 42.635 1.00 0.00 O ATOM 626 CB TRP A 41 -0.957 28.106 41.737 1.00 0.00 C ATOM 627 CG TRP A 41 -1.344 26.687 42.014 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.527 26.247 42.544 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.545 25.511 41.773 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.487 24.884 42.636 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.300 24.403 42.178 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.734 25.290 41.255 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.818 23.108 42.079 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.222 23.995 41.154 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.452 22.913 41.562 1.00 0.00 C ATOM 0 H TRP A 41 -2.571 28.606 43.502 1.00 0.00 H new ATOM 0 HA TRP A 41 0.221 28.309 43.521 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.792 28.619 41.260 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.128 28.120 41.029 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.355 26.874 42.840 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.245 24.306 42.999 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.340 26.124 40.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.419 22.269 42.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.211 23.826 40.754 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.847 21.912 41.475 1.00 0.00 H new ATOM 646 N VAL A 42 1.283 30.293 42.275 1.00 0.00 N ATOM 647 CA VAL A 42 1.913 31.553 41.896 1.00 0.00 C ATOM 648 C VAL A 42 2.834 31.345 40.701 1.00 0.00 C ATOM 649 O VAL A 42 3.876 30.699 40.815 1.00 0.00 O ATOM 650 CB VAL A 42 2.703 32.117 43.074 1.00 0.00 C ATOM 651 CG1 VAL A 42 1.758 32.659 44.142 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.620 31.050 43.664 1.00 0.00 C ATOM 0 H VAL A 42 1.904 29.484 42.252 1.00 0.00 H new ATOM 0 HA VAL A 42 1.135 32.264 41.618 1.00 0.00 H new ATOM 0 HB VAL A 42 3.320 32.939 42.711 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.339 33.057 44.974 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.144 33.452 43.716 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.115 31.855 44.500 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.175 31.470 44.503 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.022 30.207 44.011 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.319 30.709 42.901 1.00 0.00 H new ATOM 662 N ALA A 43 2.442 31.892 39.551 1.00 0.00 N ATOM 663 CA ALA A 43 3.229 31.766 38.324 1.00 0.00 C ATOM 664 C ALA A 43 4.704 32.040 38.604 1.00 0.00 C ATOM 665 O ALA A 43 5.039 32.813 39.501 1.00 0.00 O ATOM 666 CB ALA A 43 2.712 32.745 37.274 1.00 0.00 C ATOM 0 H ALA A 43 1.581 32.428 39.443 1.00 0.00 H new ATOM 0 HA ALA A 43 3.128 30.747 37.949 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.302 32.646 36.363 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.667 32.526 37.055 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.797 33.763 37.653 1.00 0.00 H new ATOM 672 N MET A 44 5.580 31.401 37.837 1.00 0.00 N ATOM 673 CA MET A 44 7.018 31.576 38.012 1.00 0.00 C ATOM 674 C MET A 44 7.452 32.951 37.524 1.00 0.00 C ATOM 675 O MET A 44 6.620 33.807 37.223 1.00 0.00 O ATOM 676 CB MET A 44 7.767 30.492 37.248 1.00 0.00 C ATOM 677 CG MET A 44 8.290 29.415 38.191 1.00 0.00 C ATOM 678 SD MET A 44 10.083 29.446 38.345 1.00 0.00 S ATOM 679 CE MET A 44 10.312 28.503 39.861 1.00 0.00 C ATOM 0 H MET A 44 5.321 30.758 37.089 1.00 0.00 H new ATOM 0 HA MET A 44 7.253 31.495 39.073 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.105 30.041 36.508 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.599 30.937 36.702 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.842 29.549 39.175 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.976 28.436 37.829 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.965 29.055 40.538 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.346 28.343 40.339 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.765 27.540 39.625 1.00 0.00 H new ATOM 689 N THR A 45 8.762 33.157 37.450 1.00 0.00 N ATOM 690 CA THR A 45 9.314 34.431 36.999 1.00 0.00 C ATOM 691 C THR A 45 10.509 34.198 36.085 1.00 0.00 C ATOM 692 O THR A 45 11.454 33.498 36.447 1.00 0.00 O ATOM 693 CB THR A 45 9.733 35.271 38.202 1.00 0.00 C ATOM 694 OG1 THR A 45 8.627 35.458 39.072 1.00 0.00 O ATOM 695 CG2 THR A 45 10.280 36.622 37.753 1.00 0.00 C ATOM 0 H THR A 45 9.463 32.458 37.697 1.00 0.00 H new ATOM 0 HA THR A 45 8.547 34.966 36.439 1.00 0.00 H new ATOM 0 HB THR A 45 10.522 34.741 38.735 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.904 35.997 39.842 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.573 37.205 38.627 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.148 36.468 37.112 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.511 37.160 37.199 1.00 0.00 H new ATOM 703 N LYS A 46 10.459 34.786 34.894 1.00 0.00 N ATOM 704 CA LYS A 46 11.535 34.642 33.920 1.00 0.00 C ATOM 705 C LYS A 46 12.516 35.804 34.030 1.00 0.00 C ATOM 706 O LYS A 46 12.342 36.839 33.387 1.00 0.00 O ATOM 707 CB LYS A 46 10.951 34.586 32.513 1.00 0.00 C ATOM 708 CG LYS A 46 9.982 35.740 32.270 1.00 0.00 C ATOM 709 CD LYS A 46 10.066 36.239 30.831 1.00 0.00 C ATOM 710 CE LYS A 46 9.480 35.220 29.858 1.00 0.00 C ATOM 711 NZ LYS A 46 8.772 35.893 28.732 1.00 0.00 N ATOM 0 H LYS A 46 9.683 35.368 34.580 1.00 0.00 H new ATOM 0 HA LYS A 46 12.072 33.716 34.126 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.757 34.624 31.780 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.434 33.637 32.369 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.964 35.415 32.486 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.207 36.558 32.955 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.530 37.184 30.739 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.106 36.436 30.572 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.277 34.589 29.464 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.787 34.565 30.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.384 35.175 28.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.997 36.475 29.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.440 36.499 28.214 1.00 0.00 H new ATOM 725 N GLY A 47 13.548 35.626 34.849 1.00 0.00 N ATOM 726 CA GLY A 47 14.557 36.662 35.041 1.00 0.00 C ATOM 727 C GLY A 47 15.929 36.044 35.277 1.00 0.00 C ATOM 728 O GLY A 47 16.789 36.648 35.919 1.00 0.00 O ATOM 0 H GLY A 47 13.707 34.776 35.389 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.591 37.310 34.165 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.284 37.288 35.890 1.00 0.00 H new ATOM 732 N GLU A 48 16.129 34.838 34.756 1.00 0.00 N ATOM 733 CA GLU A 48 17.401 34.140 34.911 1.00 0.00 C ATOM 734 C GLU A 48 18.176 34.148 33.601 1.00 0.00 C ATOM 735 O GLU A 48 17.672 34.600 32.572 1.00 0.00 O ATOM 736 CB GLU A 48 17.157 32.702 35.358 1.00 0.00 C ATOM 737 CG GLU A 48 17.913 32.391 36.647 1.00 0.00 C ATOM 738 CD GLU A 48 17.475 33.335 37.759 1.00 0.00 C ATOM 739 OE1 GLU A 48 16.653 34.236 37.488 1.00 0.00 O ATOM 740 OE2 GLU A 48 17.953 33.171 38.901 1.00 0.00 O ATOM 0 H GLU A 48 15.428 34.324 34.223 1.00 0.00 H new ATOM 0 HA GLU A 48 17.989 34.657 35.669 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.090 32.542 35.511 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.473 32.015 34.573 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.729 31.359 36.944 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.986 32.488 36.480 1.00 0.00 H new ATOM 747 N GLY A 49 19.403 33.640 33.645 1.00 0.00 N ATOM 748 CA GLY A 49 20.250 33.583 32.460 1.00 0.00 C ATOM 749 C GLY A 49 19.548 32.829 31.339 1.00 0.00 C ATOM 750 O GLY A 49 19.778 33.093 30.160 1.00 0.00 O ATOM 0 H GLY A 49 19.833 33.262 34.489 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.493 34.593 32.130 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.192 33.092 32.702 1.00 0.00 H new ATOM 754 N GLY A 50 18.689 31.888 31.717 1.00 0.00 N ATOM 755 CA GLY A 50 17.948 31.091 30.746 1.00 0.00 C ATOM 756 C GLY A 50 17.078 30.054 31.446 1.00 0.00 C ATOM 757 O GLY A 50 16.929 28.932 30.964 1.00 0.00 O ATOM 0 H GLY A 50 18.489 31.658 32.690 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.324 31.743 30.135 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.644 30.592 30.072 1.00 0.00 H new ATOM 761 N VAL A 51 16.503 30.435 32.583 1.00 0.00 N ATOM 762 CA VAL A 51 15.645 29.533 33.344 1.00 0.00 C ATOM 763 C VAL A 51 14.661 30.326 34.191 1.00 0.00 C ATOM 764 O VAL A 51 14.681 31.556 34.195 1.00 0.00 O ATOM 765 CB VAL A 51 16.492 28.628 34.233 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.238 27.603 33.385 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.470 29.454 35.062 1.00 0.00 C ATOM 0 H VAL A 51 16.615 31.360 32.997 1.00 0.00 H new ATOM 0 HA VAL A 51 15.083 28.915 32.644 1.00 0.00 H new ATOM 0 HB VAL A 51 15.831 28.096 34.917 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.839 26.964 34.032 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.520 26.993 32.837 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.889 28.119 32.679 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.065 28.791 35.690 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.129 30.013 34.397 1.00 0.00 H new ATOM 0 HG23 VAL A 51 16.916 30.149 35.692 1.00 0.00 H new ATOM 777 N TRP A 52 13.792 29.615 34.900 1.00 0.00 N ATOM 778 CA TRP A 52 12.788 30.255 35.745 1.00 0.00 C ATOM 779 C TRP A 52 13.190 30.160 37.211 1.00 0.00 C ATOM 780 O TRP A 52 13.781 29.169 37.640 1.00 0.00 O ATOM 781 CB TRP A 52 11.428 29.592 35.532 1.00 0.00 C ATOM 782 CG TRP A 52 11.214 29.143 34.118 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.792 27.911 33.708 1.00 0.00 C ATOM 784 CD2 TRP A 52 11.428 29.919 32.920 1.00 0.00 C ATOM 785 NE1 TRP A 52 10.727 27.899 32.342 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.107 29.101 31.830 1.00 0.00 C ATOM 787 CE3 TRP A 52 11.855 31.224 32.668 1.00 0.00 C ATOM 788 CZ2 TRP A 52 11.201 29.548 30.522 1.00 0.00 C ATOM 789 CZ3 TRP A 52 11.952 31.677 31.359 1.00 0.00 C ATOM 790 CH2 TRP A 52 11.627 30.844 30.296 1.00 0.00 C ATOM 0 H TRP A 52 13.761 28.595 34.907 1.00 0.00 H new ATOM 0 HA TRP A 52 12.719 31.307 35.470 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.339 28.734 36.198 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.640 30.293 35.809 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.549 27.082 34.356 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.434 27.098 31.783 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.109 31.879 33.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.947 28.899 29.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.283 32.687 31.166 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.708 31.212 29.284 1.00 0.00 H new ATOM 801 N THR A 53 12.868 31.198 37.976 1.00 0.00 N ATOM 802 CA THR A 53 13.196 31.234 39.398 1.00 0.00 C ATOM 803 C THR A 53 12.020 31.775 40.200 1.00 0.00 C ATOM 804 O THR A 53 11.158 32.471 39.664 1.00 0.00 O ATOM 805 CB THR A 53 14.427 32.107 39.626 1.00 0.00 C ATOM 806 OG1 THR A 53 14.504 33.109 38.624 1.00 0.00 O ATOM 807 CG2 THR A 53 15.698 31.263 39.621 1.00 0.00 C ATOM 0 H THR A 53 12.380 32.026 37.635 1.00 0.00 H new ATOM 0 HA THR A 53 13.410 30.219 39.733 1.00 0.00 H new ATOM 0 HB THR A 53 14.335 32.583 40.602 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.941 33.906 38.991 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.563 31.906 39.785 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.643 30.518 40.415 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.797 30.760 38.659 1.00 0.00 H new ATOM 815 N PHE A 54 11.988 31.451 41.489 1.00 0.00 N ATOM 816 CA PHE A 54 10.915 31.904 42.368 1.00 0.00 C ATOM 817 C PHE A 54 11.432 32.089 43.789 1.00 0.00 C ATOM 818 O PHE A 54 12.422 31.473 44.184 1.00 0.00 O ATOM 819 CB PHE A 54 9.771 30.893 42.356 1.00 0.00 C ATOM 820 CG PHE A 54 8.611 31.312 43.223 1.00 0.00 C ATOM 821 CD1 PHE A 54 7.813 32.379 42.844 1.00 0.00 C ATOM 822 CD2 PHE A 54 8.342 30.631 44.399 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.748 32.765 43.640 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.277 31.017 45.195 1.00 0.00 C ATOM 825 CZ PHE A 54 6.479 32.084 44.815 1.00 0.00 C ATOM 0 H PHE A 54 12.694 30.876 41.949 1.00 0.00 H new ATOM 0 HA PHE A 54 10.548 32.864 42.004 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.423 30.758 41.332 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.143 29.927 42.697 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.022 32.910 41.927 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.963 29.799 44.695 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.127 33.598 43.344 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.068 30.486 46.112 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.647 32.384 45.435 1.00 0.00 H new ATOM 835 N ASP A 55 10.758 32.942 44.553 1.00 0.00 N ATOM 836 CA ASP A 55 11.150 33.212 45.933 1.00 0.00 C ATOM 837 C ASP A 55 10.457 32.244 46.884 1.00 0.00 C ATOM 838 O ASP A 55 9.231 32.139 46.894 1.00 0.00 O ATOM 839 CB ASP A 55 10.794 34.649 46.303 1.00 0.00 C ATOM 840 CG ASP A 55 11.644 35.119 47.476 1.00 0.00 C ATOM 841 OD1 ASP A 55 11.969 34.286 48.347 1.00 0.00 O ATOM 842 OD2 ASP A 55 11.984 36.321 47.521 1.00 0.00 O ATOM 0 H ASP A 55 9.936 33.459 44.240 1.00 0.00 H new ATOM 0 HA ASP A 55 12.228 33.075 46.022 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.953 35.303 45.445 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.737 34.714 46.562 1.00 0.00 H new ATOM 847 N SER A 56 11.251 31.540 47.684 1.00 0.00 N ATOM 848 CA SER A 56 10.717 30.578 48.644 1.00 0.00 C ATOM 849 C SER A 56 11.129 30.961 50.060 1.00 0.00 C ATOM 850 O SER A 56 12.274 30.751 50.461 1.00 0.00 O ATOM 851 CB SER A 56 11.225 29.177 48.315 1.00 0.00 C ATOM 852 OG SER A 56 12.626 29.093 48.523 1.00 0.00 O ATOM 0 H SER A 56 12.268 31.617 47.687 1.00 0.00 H new ATOM 0 HA SER A 56 9.629 30.587 48.581 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.715 28.443 48.939 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.990 28.933 47.279 1.00 0.00 H new ATOM 0 HG SER A 56 12.896 29.749 49.199 1.00 0.00 H new ATOM 858 N GLU A 57 10.191 31.526 50.813 1.00 0.00 N ATOM 859 CA GLU A 57 10.458 31.941 52.186 1.00 0.00 C ATOM 860 C GLU A 57 9.713 31.045 53.168 1.00 0.00 C ATOM 861 O GLU A 57 10.148 30.858 54.304 1.00 0.00 O ATOM 862 CB GLU A 57 10.033 33.394 52.383 1.00 0.00 C ATOM 863 CG GLU A 57 10.951 34.348 51.622 1.00 0.00 C ATOM 864 CD GLU A 57 10.478 35.785 51.793 1.00 0.00 C ATOM 865 OE1 GLU A 57 9.353 35.986 52.296 1.00 0.00 O ATOM 866 OE2 GLU A 57 11.233 36.709 51.423 1.00 0.00 O ATOM 0 H GLU A 57 9.239 31.707 50.496 1.00 0.00 H new ATOM 0 HA GLU A 57 11.528 31.852 52.375 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.006 33.524 52.042 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.050 33.639 53.445 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.973 34.249 51.987 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.963 34.085 50.564 1.00 0.00 H new ATOM 873 N GLU A 58 8.588 30.495 52.723 1.00 0.00 N ATOM 874 CA GLU A 58 7.779 29.618 53.564 1.00 0.00 C ATOM 875 C GLU A 58 8.594 28.405 54.010 1.00 0.00 C ATOM 876 O GLU A 58 9.155 27.691 53.179 1.00 0.00 O ATOM 877 CB GLU A 58 6.545 29.157 52.795 1.00 0.00 C ATOM 878 CG GLU A 58 6.932 28.495 51.475 1.00 0.00 C ATOM 879 CD GLU A 58 5.971 28.917 50.372 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.861 30.134 50.112 1.00 0.00 O ATOM 881 OE2 GLU A 58 5.330 28.031 49.769 1.00 0.00 O ATOM 0 H GLU A 58 8.215 30.641 51.785 1.00 0.00 H new ATOM 0 HA GLU A 58 7.467 30.174 54.448 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.975 28.455 53.404 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.895 30.010 52.600 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.951 28.773 51.205 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.916 27.411 51.585 1.00 0.00 H new ATOM 888 N PRO A 59 8.671 28.153 55.330 1.00 0.00 N ATOM 889 CA PRO A 59 9.426 27.014 55.875 1.00 0.00 C ATOM 890 C PRO A 59 8.741 25.675 55.605 1.00 0.00 C ATOM 891 O PRO A 59 9.337 24.616 55.803 1.00 0.00 O ATOM 892 CB PRO A 59 9.479 27.294 57.371 1.00 0.00 C ATOM 893 CG PRO A 59 8.297 28.155 57.651 1.00 0.00 C ATOM 894 CD PRO A 59 8.038 28.947 56.397 1.00 0.00 C ATOM 0 HA PRO A 59 10.409 26.927 55.413 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.437 26.369 57.946 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.406 27.798 57.644 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.429 27.549 57.913 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.491 28.817 58.495 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.970 29.073 56.219 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.471 29.945 56.460 1.00 0.00 H new ATOM 902 N LEU A 60 7.487 25.725 55.155 1.00 0.00 N ATOM 903 CA LEU A 60 6.723 24.512 54.865 1.00 0.00 C ATOM 904 C LEU A 60 7.550 23.539 54.031 1.00 0.00 C ATOM 905 O LEU A 60 7.783 23.764 52.844 1.00 0.00 O ATOM 906 CB LEU A 60 5.441 24.873 54.120 1.00 0.00 C ATOM 907 CG LEU A 60 4.206 24.569 54.963 1.00 0.00 C ATOM 908 CD1 LEU A 60 4.043 23.063 55.150 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.295 25.269 56.316 1.00 0.00 C ATOM 0 H LEU A 60 6.979 26.593 54.983 1.00 0.00 H new ATOM 0 HA LEU A 60 6.470 24.029 55.809 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.455 25.931 53.860 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.392 24.315 53.185 1.00 0.00 H new ATOM 0 HG LEU A 60 3.330 24.948 54.437 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.157 22.865 55.754 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.933 22.585 54.176 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.922 22.662 55.654 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.406 25.040 56.903 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.180 24.921 56.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.363 26.346 56.165 1.00 0.00 H new ATOM 921 N GLN A 61 7.991 22.456 54.663 1.00 0.00 N ATOM 922 CA GLN A 61 8.792 21.444 53.982 1.00 0.00 C ATOM 923 C GLN A 61 7.909 20.582 53.090 1.00 0.00 C ATOM 924 O GLN A 61 6.995 19.911 53.568 1.00 0.00 O ATOM 925 CB GLN A 61 9.507 20.570 55.008 1.00 0.00 C ATOM 926 CG GLN A 61 10.624 19.757 54.359 1.00 0.00 C ATOM 927 CD GLN A 61 10.104 18.389 53.938 1.00 0.00 C ATOM 928 OE1 GLN A 61 9.526 18.238 52.861 1.00 0.00 O ATOM 929 NE2 GLN A 61 10.309 17.389 54.787 1.00 0.00 N ATOM 0 H GLN A 61 7.807 22.256 55.646 1.00 0.00 H new ATOM 0 HA GLN A 61 9.534 21.945 53.360 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.922 21.197 55.797 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.790 19.897 55.479 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.013 20.289 53.491 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.452 19.640 55.058 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.793 17.560 55.669 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.983 16.450 54.558 1.00 0.00 H new ATOM 938 N GLY A 62 8.188 20.604 51.791 1.00 0.00 N ATOM 939 CA GLY A 62 7.418 19.824 50.827 1.00 0.00 C ATOM 940 C GLY A 62 7.956 20.028 49.415 1.00 0.00 C ATOM 941 O GLY A 62 8.803 20.892 49.185 1.00 0.00 O ATOM 0 H GLY A 62 8.943 21.154 51.380 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.462 18.767 51.089 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.369 20.119 50.868 1.00 0.00 H new ATOM 945 N PRO A 63 7.470 19.231 48.448 1.00 0.00 N ATOM 946 CA PRO A 63 7.908 19.326 47.051 1.00 0.00 C ATOM 947 C PRO A 63 7.240 20.484 46.318 1.00 0.00 C ATOM 948 O PRO A 63 6.122 20.878 46.648 1.00 0.00 O ATOM 949 CB PRO A 63 7.492 17.994 46.445 1.00 0.00 C ATOM 950 CG PRO A 63 6.352 17.506 47.283 1.00 0.00 C ATOM 951 CD PRO A 63 6.462 18.173 48.636 1.00 0.00 C ATOM 0 HA PRO A 63 8.978 19.518 46.974 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.190 18.115 45.405 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.319 17.284 46.456 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.399 17.749 46.812 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.389 16.422 47.386 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.505 18.589 48.952 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.770 17.464 49.404 1.00 0.00 H new ATOM 959 N PHE A 64 7.932 21.021 45.319 1.00 0.00 N ATOM 960 CA PHE A 64 7.409 22.133 44.533 1.00 0.00 C ATOM 961 C PHE A 64 6.518 21.614 43.412 1.00 0.00 C ATOM 962 O PHE A 64 6.953 20.817 42.584 1.00 0.00 O ATOM 963 CB PHE A 64 8.559 22.936 43.934 1.00 0.00 C ATOM 964 CG PHE A 64 9.418 23.615 44.970 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.836 24.386 45.964 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.795 23.470 44.925 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.632 25.011 46.910 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.590 24.094 45.870 1.00 0.00 C ATOM 969 CZ PHE A 64 11.009 24.865 46.863 1.00 0.00 C ATOM 0 H PHE A 64 8.858 20.703 45.034 1.00 0.00 H new ATOM 0 HA PHE A 64 6.822 22.775 45.190 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.182 22.272 43.334 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.153 23.689 43.259 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.763 24.499 46.001 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.249 22.869 44.151 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.179 25.612 47.684 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.663 23.980 45.833 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.629 25.352 47.601 1.00 0.00 H new ATOM 979 N ASN A 65 5.275 22.075 43.382 1.00 0.00 N ATOM 980 CA ASN A 65 4.333 21.657 42.348 1.00 0.00 C ATOM 981 C ASN A 65 4.331 22.672 41.214 1.00 0.00 C ATOM 982 O ASN A 65 4.296 23.880 41.452 1.00 0.00 O ATOM 983 CB ASN A 65 2.927 21.521 42.930 1.00 0.00 C ATOM 984 CG ASN A 65 2.975 20.846 44.296 1.00 0.00 C ATOM 985 OD1 ASN A 65 3.784 19.948 44.528 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.105 21.280 45.200 1.00 0.00 N ATOM 0 H ASN A 65 4.895 22.737 44.059 1.00 0.00 H new ATOM 0 HA ASN A 65 4.643 20.686 41.961 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.468 22.506 43.021 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.302 20.939 42.253 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.089 20.866 46.132 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.453 22.027 44.962 1.00 0.00 H new ATOM 993 N PHE A 66 4.378 22.182 39.980 1.00 0.00 N ATOM 994 CA PHE A 66 4.393 23.059 38.814 1.00 0.00 C ATOM 995 C PHE A 66 3.212 22.769 37.896 1.00 0.00 C ATOM 996 O PHE A 66 2.523 21.760 38.045 1.00 0.00 O ATOM 997 CB PHE A 66 5.700 22.881 38.050 1.00 0.00 C ATOM 998 CG PHE A 66 6.861 23.590 38.699 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.545 22.992 39.746 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.244 24.843 38.250 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.611 23.647 40.341 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.310 25.498 38.845 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.993 24.900 39.890 1.00 0.00 C ATOM 0 H PHE A 66 4.406 21.186 39.761 1.00 0.00 H new ATOM 0 HA PHE A 66 4.311 24.090 39.160 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.928 21.818 37.973 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.575 23.255 37.034 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.247 22.015 40.098 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.711 25.310 37.435 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.144 23.181 41.156 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.608 26.475 38.494 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.824 25.410 40.354 1.00 0.00 H new ATOM 1013 N ARG A 67 2.991 23.669 36.943 1.00 0.00 N ATOM 1014 CA ARG A 67 1.898 23.536 35.982 1.00 0.00 C ATOM 1015 C ARG A 67 2.001 24.635 34.931 1.00 0.00 C ATOM 1016 O ARG A 67 1.108 25.473 34.803 1.00 0.00 O ATOM 1017 CB ARG A 67 0.544 23.614 36.691 1.00 0.00 C ATOM 1018 CG ARG A 67 0.584 24.560 37.889 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.663 25.438 37.946 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.785 26.224 36.724 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.949 26.737 36.340 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.049 25.999 36.393 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.014 27.988 35.904 1.00 0.00 N ATOM 0 H ARG A 67 3.559 24.506 36.814 1.00 0.00 H new ATOM 0 HA ARG A 67 1.976 22.563 35.496 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.216 23.952 35.987 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.250 22.618 37.024 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.666 23.981 38.809 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.472 25.189 37.828 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.548 24.816 38.076 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.610 26.101 38.809 1.00 0.00 H new ATOM 0 HE ARG A 67 0.043 26.384 36.150 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.002 25.037 36.729 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.942 26.393 36.098 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.169 28.558 35.863 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.909 28.380 35.610 1.00 0.00 H new ATOM 1037 N PHE A 68 3.104 24.628 34.189 1.00 0.00 N ATOM 1038 CA PHE A 68 3.346 25.626 33.151 1.00 0.00 C ATOM 1039 C PHE A 68 2.216 25.639 32.134 1.00 0.00 C ATOM 1040 O PHE A 68 1.315 24.800 32.174 1.00 0.00 O ATOM 1041 CB PHE A 68 4.665 25.333 32.440 1.00 0.00 C ATOM 1042 CG PHE A 68 4.883 23.862 32.188 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.045 23.176 31.324 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.919 23.196 32.820 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.244 21.825 31.092 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.118 21.844 32.589 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.280 21.159 31.725 1.00 0.00 C ATOM 0 H PHE A 68 3.849 23.938 34.288 1.00 0.00 H new ATOM 0 HA PHE A 68 3.397 26.604 33.629 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.686 25.866 31.489 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.489 25.719 33.040 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.236 23.695 30.831 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.573 23.730 33.494 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.591 21.291 30.417 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.926 21.325 33.083 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.434 20.105 31.545 1.00 0.00 H new ATOM 1057 N LEU A 69 2.280 26.595 31.216 1.00 0.00 N ATOM 1058 CA LEU A 69 1.275 26.731 30.167 1.00 0.00 C ATOM 1059 C LEU A 69 1.953 26.634 28.808 1.00 0.00 C ATOM 1060 O LEU A 69 2.093 27.634 28.107 1.00 0.00 O ATOM 1061 CB LEU A 69 0.543 28.073 30.284 1.00 0.00 C ATOM 1062 CG LEU A 69 0.442 28.550 31.734 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.207 29.929 31.801 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -0.342 27.547 32.575 1.00 0.00 C ATOM 0 H LEU A 69 3.023 27.293 31.176 1.00 0.00 H new ATOM 0 HA LEU A 69 0.543 25.931 30.276 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.066 28.824 29.692 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.458 27.977 29.864 1.00 0.00 H new ATOM 0 HG LEU A 69 1.450 28.625 32.141 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.270 30.251 32.840 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.394 30.642 31.236 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.209 29.881 31.375 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.403 27.904 33.603 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.347 27.438 32.168 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.164 26.582 32.555 1.00 0.00 H new ATOM 1076 N THR A 70 2.384 25.421 28.452 1.00 0.00 N ATOM 1077 CA THR A 70 3.073 25.162 27.180 1.00 0.00 C ATOM 1078 C THR A 70 2.515 26.021 26.048 1.00 0.00 C ATOM 1079 O THR A 70 1.302 26.172 25.908 1.00 0.00 O ATOM 1080 CB THR A 70 2.943 23.686 26.817 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.573 23.320 26.756 1.00 0.00 O ATOM 1082 CG2 THR A 70 3.673 22.812 27.834 1.00 0.00 C ATOM 0 H THR A 70 2.267 24.591 29.034 1.00 0.00 H new ATOM 0 HA THR A 70 4.123 25.423 27.310 1.00 0.00 H new ATOM 0 HB THR A 70 3.399 23.530 25.839 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.032 24.111 26.551 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.567 21.764 27.555 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.730 23.078 27.850 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.244 22.970 28.824 1.00 0.00 H new ATOM 1090 N GLU A 71 3.414 26.585 25.243 1.00 0.00 N ATOM 1091 CA GLU A 71 3.018 27.433 24.123 1.00 0.00 C ATOM 1092 C GLU A 71 1.957 26.740 23.279 1.00 0.00 C ATOM 1093 O GLU A 71 0.901 27.308 23.001 1.00 0.00 O ATOM 1094 CB GLU A 71 4.230 27.763 23.252 1.00 0.00 C ATOM 1095 CG GLU A 71 5.399 28.292 24.079 1.00 0.00 C ATOM 1096 CD GLU A 71 6.348 29.091 23.196 1.00 0.00 C ATOM 1097 OE1 GLU A 71 5.885 30.044 22.534 1.00 0.00 O ATOM 1098 OE2 GLU A 71 7.553 28.764 23.168 1.00 0.00 O ATOM 0 H GLU A 71 4.422 26.469 25.347 1.00 0.00 H new ATOM 0 HA GLU A 71 2.604 28.358 24.525 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.543 26.869 22.712 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.949 28.505 22.505 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.027 28.921 24.888 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.933 27.461 24.541 1.00 0.00 H new ATOM 1105 N LYS A 72 2.246 25.508 22.871 1.00 0.00 N ATOM 1106 CA LYS A 72 1.318 24.734 22.054 1.00 0.00 C ATOM 1107 C LYS A 72 1.100 23.352 22.657 1.00 0.00 C ATOM 1108 O LYS A 72 1.571 22.350 22.119 1.00 0.00 O ATOM 1109 CB LYS A 72 1.865 24.600 20.637 1.00 0.00 C ATOM 1110 CG LYS A 72 0.893 23.837 19.742 1.00 0.00 C ATOM 1111 CD LYS A 72 -0.467 24.527 19.690 1.00 0.00 C ATOM 1112 CE LYS A 72 -1.010 24.570 18.265 1.00 0.00 C ATOM 1113 NZ LYS A 72 -1.835 23.366 17.964 1.00 0.00 N ATOM 0 H LYS A 72 3.116 25.024 23.093 1.00 0.00 H new ATOM 0 HA LYS A 72 0.361 25.256 22.024 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.048 25.590 20.219 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.824 24.083 20.662 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.304 23.762 18.735 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.774 22.820 20.115 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.170 23.999 20.334 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.378 25.541 20.079 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.611 25.469 18.130 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.181 24.632 17.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.190 23.424 16.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.253 22.511 18.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.638 23.322 18.623 1.00 0.00 H new ATOM 1127 N GLY A 73 0.383 23.303 23.775 1.00 0.00 N ATOM 1128 CA GLY A 73 0.103 22.039 24.447 1.00 0.00 C ATOM 1129 C GLY A 73 -1.052 22.192 25.427 1.00 0.00 C ATOM 1130 O GLY A 73 -2.215 22.249 25.028 1.00 0.00 O ATOM 0 H GLY A 73 -0.014 24.123 24.234 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.140 21.275 23.708 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.993 21.699 24.977 1.00 0.00 H new ATOM 1134 N MET A 74 -0.724 22.258 26.712 1.00 0.00 N ATOM 1135 CA MET A 74 -1.732 22.405 27.756 1.00 0.00 C ATOM 1136 C MET A 74 -1.069 22.472 29.124 1.00 0.00 C ATOM 1137 O MET A 74 0.157 22.491 29.231 1.00 0.00 O ATOM 1138 CB MET A 74 -2.711 21.234 27.707 1.00 0.00 C ATOM 1139 CG MET A 74 -1.999 19.904 27.933 1.00 0.00 C ATOM 1140 SD MET A 74 -3.056 18.491 27.575 1.00 0.00 S ATOM 1141 CE MET A 74 -2.073 17.147 28.258 1.00 0.00 C ATOM 0 H MET A 74 0.235 22.212 27.057 1.00 0.00 H new ATOM 0 HA MET A 74 -2.279 23.332 27.586 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.481 21.370 28.466 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.215 21.219 26.741 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.111 19.859 27.303 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.660 19.848 28.967 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.240 16.241 27.675 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.017 17.413 28.221 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.366 16.971 29.293 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.888 22.516 30.168 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.381 22.589 31.538 1.00 0.00 C ATOM 1153 C LYS A 75 -1.360 21.200 32.165 1.00 0.00 C ATOM 1154 O LYS A 75 -2.198 20.354 31.852 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.237 23.529 32.404 1.00 0.00 C ATOM 1156 CG LYS A 75 -3.158 24.433 31.576 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.375 25.221 30.529 1.00 0.00 C ATOM 1158 CE LYS A 75 -2.942 26.629 30.361 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.438 26.852 28.973 1.00 0.00 N ATOM 0 H LYS A 75 -2.905 22.503 30.095 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.368 22.988 31.495 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.841 22.934 33.089 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.581 24.149 33.015 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.918 23.826 31.083 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.681 25.124 32.237 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.327 25.281 30.823 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.409 24.696 29.574 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.756 26.782 31.069 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.172 27.364 30.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.817 27.817 28.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.654 26.729 28.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.189 26.166 28.758 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.398 20.973 33.054 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.265 19.687 33.732 1.00 0.00 C ATOM 1175 C ASN A 76 0.398 19.875 35.091 1.00 0.00 C ATOM 1176 O ASN A 76 1.504 20.408 35.184 1.00 0.00 O ATOM 1177 CB ASN A 76 0.560 18.726 32.880 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.357 17.778 32.117 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.784 18.076 31.002 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -0.660 16.634 32.719 1.00 0.00 N ATOM 0 H ASN A 76 0.303 21.664 33.322 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.259 19.266 33.879 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.178 19.288 32.180 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.237 18.155 33.515 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.270 15.960 32.256 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.283 16.429 33.644 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.284 19.436 36.143 1.00 0.00 N ATOM 1188 CA VAL A 77 0.237 19.559 37.500 1.00 0.00 C ATOM 1189 C VAL A 77 1.219 18.434 37.799 1.00 0.00 C ATOM 1190 O VAL A 77 1.037 17.301 37.352 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.914 19.530 38.502 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.386 19.618 39.932 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.890 20.669 38.223 1.00 0.00 C ATOM 0 H VAL A 77 -1.200 18.991 36.082 1.00 0.00 H new ATOM 0 HA VAL A 77 0.763 20.509 37.587 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.443 18.584 38.390 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.222 19.596 40.631 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.274 18.773 40.129 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.168 20.548 40.059 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.705 20.635 38.946 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.370 21.623 38.308 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.293 20.564 37.216 1.00 0.00 H new ATOM 1203 N PHE A 78 2.261 18.755 38.559 1.00 0.00 N ATOM 1204 CA PHE A 78 3.277 17.774 38.922 1.00 0.00 C ATOM 1205 C PHE A 78 3.487 17.766 40.430 1.00 0.00 C ATOM 1206 O PHE A 78 3.809 18.793 41.028 1.00 0.00 O ATOM 1207 CB PHE A 78 4.587 18.101 38.213 1.00 0.00 C ATOM 1208 CG PHE A 78 4.413 18.287 36.726 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.313 17.181 35.898 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.350 19.562 36.189 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.149 17.350 34.533 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.186 19.731 34.824 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.086 18.625 33.996 1.00 0.00 C ATOM 0 H PHE A 78 2.424 19.689 38.936 1.00 0.00 H new ATOM 0 HA PHE A 78 2.940 16.785 38.612 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.011 19.009 38.642 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.303 17.299 38.394 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.363 16.187 36.317 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.429 20.424 36.834 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.070 16.488 33.888 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.136 20.725 34.405 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.959 18.757 32.932 1.00 0.00 H new ATOM 1223 N ASP A 79 3.295 16.602 41.042 1.00 0.00 N ATOM 1224 CA ASP A 79 3.457 16.459 42.486 1.00 0.00 C ATOM 1225 C ASP A 79 4.755 15.729 42.809 1.00 0.00 C ATOM 1226 O ASP A 79 5.208 14.877 42.044 1.00 0.00 O ATOM 1227 CB ASP A 79 2.272 15.694 43.067 1.00 0.00 C ATOM 1228 CG ASP A 79 1.143 16.655 43.413 1.00 0.00 C ATOM 1229 OD1 ASP A 79 1.071 17.737 42.792 1.00 0.00 O ATOM 1230 OD2 ASP A 79 0.332 16.326 44.303 1.00 0.00 O ATOM 0 H ASP A 79 3.027 15.743 40.561 1.00 0.00 H new ATOM 0 HA ASP A 79 3.497 17.453 42.932 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.921 14.953 42.349 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.583 15.151 43.959 1.00 0.00 H new ATOM 1235 N ASP A 80 5.347 16.068 43.949 1.00 0.00 N ATOM 1236 CA ASP A 80 6.594 15.446 44.381 1.00 0.00 C ATOM 1237 C ASP A 80 7.686 15.667 43.344 1.00 0.00 C ATOM 1238 O ASP A 80 8.412 14.740 42.986 1.00 0.00 O ATOM 1239 CB ASP A 80 6.382 13.951 44.600 1.00 0.00 C ATOM 1240 CG ASP A 80 5.659 13.709 45.917 1.00 0.00 C ATOM 1241 OD1 ASP A 80 4.503 14.161 46.054 1.00 0.00 O ATOM 1242 OD2 ASP A 80 6.249 13.067 46.812 1.00 0.00 O ATOM 0 H ASP A 80 4.983 16.771 44.592 1.00 0.00 H new ATOM 0 HA ASP A 80 6.905 15.905 45.319 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.802 13.534 43.777 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.343 13.437 44.605 1.00 0.00 H new ATOM 1247 N VAL A 81 7.802 16.902 42.865 1.00 0.00 N ATOM 1248 CA VAL A 81 8.812 17.241 41.869 1.00 0.00 C ATOM 1249 C VAL A 81 10.179 17.369 42.529 1.00 0.00 C ATOM 1250 O VAL A 81 11.020 16.482 42.401 1.00 0.00 O ATOM 1251 CB VAL A 81 8.440 18.544 41.165 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.516 18.936 40.157 1.00 0.00 C ATOM 1253 CG2 VAL A 81 7.086 18.411 40.475 1.00 0.00 C ATOM 0 H VAL A 81 7.210 17.683 43.150 1.00 0.00 H new ATOM 0 HA VAL A 81 8.856 16.443 41.128 1.00 0.00 H new ATOM 0 HB VAL A 81 8.369 19.331 41.916 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.233 19.867 39.666 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.466 19.073 40.674 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.619 18.149 39.410 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.837 19.349 39.979 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.131 17.610 39.737 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.321 18.179 41.216 1.00 0.00 H new ATOM 1263 N VAL A 82 10.395 18.473 43.240 1.00 0.00 N ATOM 1264 CA VAL A 82 11.664 18.706 43.922 1.00 0.00 C ATOM 1265 C VAL A 82 11.624 18.117 45.328 1.00 0.00 C ATOM 1266 O VAL A 82 10.624 18.248 46.034 1.00 0.00 O ATOM 1267 CB VAL A 82 11.953 20.203 44.003 1.00 0.00 C ATOM 1268 CG1 VAL A 82 13.337 20.446 44.599 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.840 20.850 42.626 1.00 0.00 C ATOM 0 H VAL A 82 9.709 19.218 43.358 1.00 0.00 H new ATOM 0 HA VAL A 82 12.456 18.219 43.353 1.00 0.00 H new ATOM 0 HB VAL A 82 11.210 20.662 44.656 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.528 21.518 44.650 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.381 20.021 45.602 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.092 19.972 43.971 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.050 21.917 42.707 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.558 20.389 41.948 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.831 20.707 42.238 1.00 0.00 H new ATOM 1279 N PRO A 83 12.715 17.460 45.758 1.00 0.00 N ATOM 1280 CA PRO A 83 12.796 16.853 47.095 1.00 0.00 C ATOM 1281 C PRO A 83 12.949 17.903 48.189 1.00 0.00 C ATOM 1282 O PRO A 83 12.912 19.103 47.920 1.00 0.00 O ATOM 1283 CB PRO A 83 14.033 15.970 47.024 1.00 0.00 C ATOM 1284 CG PRO A 83 14.886 16.573 45.956 1.00 0.00 C ATOM 1285 CD PRO A 83 13.955 17.258 44.987 1.00 0.00 C ATOM 0 HA PRO A 83 11.890 16.302 47.346 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.556 15.948 47.980 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.768 14.941 46.782 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.592 17.285 46.382 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.473 15.806 45.451 1.00 0.00 H new ATOM 0 HD2 PRO A 83 14.367 18.206 44.641 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.779 16.645 44.103 1.00 0.00 H new ATOM 1293 N GLU A 84 13.125 17.443 49.423 1.00 0.00 N ATOM 1294 CA GLU A 84 13.290 18.342 50.559 1.00 0.00 C ATOM 1295 C GLU A 84 14.738 18.801 50.658 1.00 0.00 C ATOM 1296 O GLU A 84 15.020 19.913 51.104 1.00 0.00 O ATOM 1297 CB GLU A 84 12.879 17.634 51.847 1.00 0.00 C ATOM 1298 CG GLU A 84 13.599 16.297 51.998 1.00 0.00 C ATOM 1299 CD GLU A 84 13.466 15.784 53.426 1.00 0.00 C ATOM 1300 OE1 GLU A 84 13.904 16.492 54.356 1.00 0.00 O ATOM 1301 OE2 GLU A 84 12.923 14.674 53.611 1.00 0.00 O ATOM 0 H GLU A 84 13.157 16.452 49.662 1.00 0.00 H new ATOM 0 HA GLU A 84 12.653 19.214 50.414 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.105 18.270 52.703 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.801 17.471 51.847 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.180 15.570 51.303 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.652 16.412 51.742 1.00 0.00 H new ATOM 1308 N LYS A 85 15.653 17.935 50.236 1.00 0.00 N ATOM 1309 CA LYS A 85 17.078 18.244 50.270 1.00 0.00 C ATOM 1310 C LYS A 85 17.650 18.251 48.858 1.00 0.00 C ATOM 1311 O LYS A 85 18.653 17.594 48.580 1.00 0.00 O ATOM 1312 CB LYS A 85 17.812 17.214 51.124 1.00 0.00 C ATOM 1313 CG LYS A 85 19.235 17.666 51.436 1.00 0.00 C ATOM 1314 CD LYS A 85 19.516 17.610 52.935 1.00 0.00 C ATOM 1315 CE LYS A 85 20.916 18.125 53.255 1.00 0.00 C ATOM 1316 NZ LYS A 85 21.237 19.348 52.465 1.00 0.00 N ATOM 0 H LYS A 85 15.432 17.011 49.865 1.00 0.00 H new ATOM 0 HA LYS A 85 17.213 19.233 50.708 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.267 17.055 52.054 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.838 16.258 50.602 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.945 17.031 50.906 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.384 18.683 51.073 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.776 18.206 53.469 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.414 16.584 53.288 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.989 18.347 54.320 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.650 17.348 53.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.004 19.872 52.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.538 19.074 51.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.393 19.952 52.402 1.00 0.00 H new ATOM 1330 N TYR A 86 17.004 18.998 47.970 1.00 0.00 N ATOM 1331 CA TYR A 86 17.442 19.094 46.581 1.00 0.00 C ATOM 1332 C TYR A 86 18.915 19.475 46.510 1.00 0.00 C ATOM 1333 O TYR A 86 19.475 20.015 47.464 1.00 0.00 O ATOM 1334 CB TYR A 86 16.603 20.132 45.843 1.00 0.00 C ATOM 1335 CG TYR A 86 16.835 21.536 46.343 1.00 0.00 C ATOM 1336 CD1 TYR A 86 17.854 22.304 45.806 1.00 0.00 C ATOM 1337 CD2 TYR A 86 16.030 22.059 47.341 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.068 23.592 46.267 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.245 23.347 47.800 1.00 0.00 C ATOM 1340 CZ TYR A 86 17.262 24.107 47.262 1.00 0.00 C ATOM 1341 OH TYR A 86 17.475 25.387 47.720 1.00 0.00 O ATOM 0 H TYR A 86 16.173 19.548 48.187 1.00 0.00 H new ATOM 0 HA TYR A 86 17.311 18.121 46.107 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.833 20.088 44.778 1.00 0.00 H new ATOM 0 HB3 TYR A 86 15.547 19.883 45.951 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.482 21.898 45.027 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.234 21.462 47.761 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.863 24.192 45.849 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.617 23.756 48.578 1.00 0.00 H new ATOM 0 HH TYR A 86 16.822 25.597 48.419 1.00 0.00 H new ATOM 1351 N THR A 87 19.537 19.192 45.370 1.00 0.00 N ATOM 1352 CA THR A 87 20.947 19.504 45.163 1.00 0.00 C ATOM 1353 C THR A 87 21.177 19.965 43.729 1.00 0.00 C ATOM 1354 O THR A 87 20.998 19.196 42.784 1.00 0.00 O ATOM 1355 CB THR A 87 21.802 18.275 45.459 1.00 0.00 C ATOM 1356 OG1 THR A 87 21.109 17.402 46.338 1.00 0.00 O ATOM 1357 CG2 THR A 87 23.140 18.678 46.072 1.00 0.00 C ATOM 0 H THR A 87 19.085 18.745 44.572 1.00 0.00 H new ATOM 0 HA THR A 87 21.233 20.307 45.842 1.00 0.00 H new ATOM 0 HB THR A 87 21.997 17.759 44.519 1.00 0.00 H new ATOM 0 HG1 THR A 87 21.663 16.615 46.522 1.00 0.00 H new ATOM 0 HG21 THR A 87 23.731 17.785 46.274 1.00 0.00 H new ATOM 0 HG22 THR A 87 23.680 19.321 45.377 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.966 19.216 47.004 1.00 0.00 H new ATOM 1365 N ILE A 88 21.571 21.225 43.571 1.00 0.00 N ATOM 1366 CA ILE A 88 21.823 21.794 42.249 1.00 0.00 C ATOM 1367 C ILE A 88 22.734 20.879 41.440 1.00 0.00 C ATOM 1368 O ILE A 88 23.952 20.880 41.621 1.00 0.00 O ATOM 1369 CB ILE A 88 22.458 23.174 42.389 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.537 24.105 43.174 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.769 23.767 41.018 1.00 0.00 C ATOM 1372 CD1 ILE A 88 22.109 24.413 44.554 1.00 0.00 C ATOM 0 H ILE A 88 21.723 21.874 44.343 1.00 0.00 H new ATOM 0 HA ILE A 88 20.873 21.890 41.723 1.00 0.00 H new ATOM 0 HB ILE A 88 23.395 23.066 42.936 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.397 25.033 42.620 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.555 23.645 43.279 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.221 24.751 41.141 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.461 23.113 40.487 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.847 23.861 40.444 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.431 25.078 45.089 1.00 0.00 H new ATOM 0 HD12 ILE A 88 22.225 23.486 45.115 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.080 24.896 44.446 1.00 0.00 H new ATOM 1384 N GLY A 89 22.134 20.099 40.546 1.00 0.00 N ATOM 1385 CA GLY A 89 22.886 19.175 39.705 1.00 0.00 C ATOM 1386 C GLY A 89 22.212 17.810 39.673 1.00 0.00 C ATOM 1387 O GLY A 89 22.840 16.789 39.954 1.00 0.00 O ATOM 0 H GLY A 89 21.127 20.089 40.385 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.960 19.574 38.693 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.903 19.076 40.084 1.00 0.00 H new ATOM 1391 N ALA A 90 20.929 17.797 39.327 1.00 0.00 N ATOM 1392 CA ALA A 90 20.166 16.556 39.257 1.00 0.00 C ATOM 1393 C ALA A 90 18.760 16.827 38.738 1.00 0.00 C ATOM 1394 O ALA A 90 18.404 17.969 38.449 1.00 0.00 O ATOM 1395 CB ALA A 90 20.097 15.908 40.637 1.00 0.00 C ATOM 0 H ALA A 90 20.395 18.633 39.090 1.00 0.00 H new ATOM 0 HA ALA A 90 20.667 15.876 38.569 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.525 14.982 40.576 1.00 0.00 H new ATOM 0 HB2 ALA A 90 21.106 15.689 40.987 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.610 16.589 41.335 1.00 0.00 H new ATOM 1401 N THR A 91 17.964 15.770 38.620 1.00 0.00 N ATOM 1402 CA THR A 91 16.594 15.892 38.131 1.00 0.00 C ATOM 1403 C THR A 91 15.609 15.387 39.177 1.00 0.00 C ATOM 1404 O THR A 91 15.853 14.378 39.839 1.00 0.00 O ATOM 1405 CB THR A 91 16.433 15.099 36.838 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.456 15.454 35.921 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.063 15.351 36.216 1.00 0.00 C ATOM 0 H THR A 91 18.243 14.818 38.856 1.00 0.00 H new ATOM 0 HA THR A 91 16.385 16.944 37.935 1.00 0.00 H new ATOM 0 HB THR A 91 16.514 14.038 37.072 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.347 14.940 35.094 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.970 14.775 35.295 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.284 15.045 36.915 1.00 0.00 H new ATOM 0 HG23 THR A 91 14.954 16.412 35.993 1.00 0.00 H new ATOM 1415 N TYR A 92 14.492 16.094 39.322 1.00 0.00 N ATOM 1416 CA TYR A 92 13.465 15.718 40.288 1.00 0.00 C ATOM 1417 C TYR A 92 12.079 15.960 39.706 1.00 0.00 C ATOM 1418 O TYR A 92 11.622 17.100 39.616 1.00 0.00 O ATOM 1419 CB TYR A 92 13.635 16.521 41.575 1.00 0.00 C ATOM 1420 CG TYR A 92 15.080 16.712 41.963 1.00 0.00 C ATOM 1421 CD1 TYR A 92 15.786 15.668 42.534 1.00 0.00 C ATOM 1422 CD2 TYR A 92 15.701 17.929 41.748 1.00 0.00 C ATOM 1423 CE1 TYR A 92 17.113 15.842 42.891 1.00 0.00 C ATOM 1424 CE2 TYR A 92 17.028 18.102 42.105 1.00 0.00 C ATOM 1425 CZ TYR A 92 17.728 17.058 42.675 1.00 0.00 C ATOM 1426 OH TYR A 92 19.047 17.229 43.031 1.00 0.00 O ATOM 0 H TYR A 92 14.275 16.932 38.782 1.00 0.00 H new ATOM 0 HA TYR A 92 13.572 14.657 40.514 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.165 17.497 41.453 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.111 16.014 42.385 1.00 0.00 H new ATOM 0 HD1 TYR A 92 15.302 14.717 42.701 1.00 0.00 H new ATOM 0 HD2 TYR A 92 15.151 18.744 41.302 1.00 0.00 H new ATOM 0 HE1 TYR A 92 17.665 15.028 43.337 1.00 0.00 H new ATOM 0 HE2 TYR A 92 17.514 19.052 41.938 1.00 0.00 H new ATOM 0 HH TYR A 92 19.359 18.104 42.719 1.00 0.00 H new ATOM 1436 N ALA A 93 11.413 14.881 39.310 1.00 0.00 N ATOM 1437 CA ALA A 93 10.076 14.972 38.732 1.00 0.00 C ATOM 1438 C ALA A 93 9.609 13.599 38.260 1.00 0.00 C ATOM 1439 O ALA A 93 10.351 12.620 38.346 1.00 0.00 O ATOM 1440 CB ALA A 93 10.082 15.949 37.560 1.00 0.00 C ATOM 0 H ALA A 93 11.778 13.931 39.379 1.00 0.00 H new ATOM 0 HA ALA A 93 9.388 15.333 39.496 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.081 16.012 37.134 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.390 16.934 37.909 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.779 15.600 36.799 1.00 0.00 H new ATOM 1446 N PRO A 94 8.367 13.509 37.752 1.00 0.00 N ATOM 1447 CA PRO A 94 7.804 12.243 37.264 1.00 0.00 C ATOM 1448 C PRO A 94 8.360 11.859 35.897 1.00 0.00 C ATOM 1449 O PRO A 94 8.312 12.702 34.976 1.00 0.00 O ATOM 1450 CB PRO A 94 6.309 12.513 37.182 1.00 0.00 C ATOM 1451 CG PRO A 94 6.175 13.993 37.021 1.00 0.00 C ATOM 1452 CD PRO A 94 7.415 14.625 37.611 1.00 0.00 C ATOM 0 HA PRO A 94 8.053 11.408 37.919 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.861 11.985 36.340 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.799 12.169 38.082 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.073 14.257 35.968 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.281 14.355 37.528 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.811 15.405 36.960 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.204 15.090 38.574 1.00 0.00 H new