USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 531 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 11 ASN : amide:sc= -0.469 K(o=-0.43,f=-1.4) USER MOD Set 1.2: A 18 SER OG : rot 71:sc= 0.0388 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 86:sc= 0.137 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0314 (180deg=-0.269) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 174:sc= -0.81 (180deg=-0.835) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 163:sc= -0.25 (180deg=-0.682) USER MOD Single : A 27 ASN :FLIP amide:sc= -2.3 F(o=-5.3!,f=-2.3) USER MOD Single : A 28 MET CE :methyl -149:sc= -0.0224 (180deg=-0.277) USER MOD Single : A 31 ASN : amide:sc= -1.75 K(o=-1.7,f=-5.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -50:sc= 0.412 USER MOD Single : A 46 GLN : amide:sc= -2.51 K(o=-2.5,f=-3.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00741 X(o=-0.0074,f=-0.5) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 86:sc= 0.408 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 29:sc= 0.0958 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.918 4.488 19.414 1.00 0.00 N ATOM 2 CA GLY A 1 -2.178 3.306 19.011 1.00 0.00 C ATOM 3 C GLY A 1 -0.706 3.397 19.358 1.00 0.00 C ATOM 4 O GLY A 1 -0.129 2.453 19.898 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.919 4.376 19.155 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.839 4.613 20.443 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.527 5.323 18.933 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.609 2.429 19.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.286 3.162 17.936 1.00 0.00 H new ATOM 8 N SER A 2 -0.095 4.536 19.047 1.00 0.00 N ATOM 9 CA SER A 2 1.321 4.745 19.325 1.00 0.00 C ATOM 10 C SER A 2 1.687 4.216 20.709 1.00 0.00 C ATOM 11 O SER A 2 2.662 3.482 20.867 1.00 0.00 O ATOM 12 CB SER A 2 1.668 6.231 19.227 1.00 0.00 C ATOM 13 OG SER A 2 2.993 6.476 19.667 1.00 0.00 O ATOM 0 H SER A 2 -0.559 5.328 18.602 1.00 0.00 H new ATOM 0 HA SER A 2 1.897 4.195 18.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.556 6.566 18.196 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.969 6.811 19.829 1.00 0.00 H new ATOM 0 HG SER A 2 3.191 7.433 19.593 1.00 0.00 H new ATOM 19 N SER A 3 0.896 4.594 21.708 1.00 0.00 N ATOM 20 CA SER A 3 1.137 4.161 23.080 1.00 0.00 C ATOM 21 C SER A 3 0.467 2.818 23.352 1.00 0.00 C ATOM 22 O SER A 3 1.088 1.897 23.880 1.00 0.00 O ATOM 23 CB SER A 3 0.622 5.211 24.066 1.00 0.00 C ATOM 24 OG SER A 3 1.611 6.191 24.330 1.00 0.00 O ATOM 0 H SER A 3 0.083 5.199 21.593 1.00 0.00 H new ATOM 0 HA SER A 3 2.212 4.044 23.214 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.269 5.689 23.660 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.328 4.727 24.997 1.00 0.00 H new ATOM 0 HG SER A 3 1.257 6.851 24.961 1.00 0.00 H new ATOM 30 N GLY A 4 -0.808 2.716 22.987 1.00 0.00 N ATOM 31 CA GLY A 4 -1.544 1.483 23.200 1.00 0.00 C ATOM 32 C GLY A 4 -0.672 0.253 23.039 1.00 0.00 C ATOM 33 O GLY A 4 -0.244 -0.346 24.026 1.00 0.00 O ATOM 0 H GLY A 4 -1.344 3.465 22.548 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.977 1.490 24.200 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.373 1.432 22.494 1.00 0.00 H new ATOM 37 N SER A 5 -0.410 -0.126 21.793 1.00 0.00 N ATOM 38 CA SER A 5 0.411 -1.296 21.506 1.00 0.00 C ATOM 39 C SER A 5 -0.258 -2.568 22.019 1.00 0.00 C ATOM 40 O SER A 5 0.398 -3.441 22.587 1.00 0.00 O ATOM 41 CB SER A 5 1.795 -1.142 22.141 1.00 0.00 C ATOM 42 OG SER A 5 2.419 0.057 21.717 1.00 0.00 O ATOM 0 H SER A 5 -0.755 0.360 20.965 1.00 0.00 H new ATOM 0 HA SER A 5 0.522 -1.375 20.425 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.703 -1.143 23.227 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.419 -1.995 21.873 1.00 0.00 H new ATOM 0 HG SER A 5 2.138 0.795 22.297 1.00 0.00 H new ATOM 48 N SER A 6 -1.567 -2.664 21.815 1.00 0.00 N ATOM 49 CA SER A 6 -2.327 -3.827 22.260 1.00 0.00 C ATOM 50 C SER A 6 -3.443 -4.157 21.273 1.00 0.00 C ATOM 51 O SER A 6 -4.101 -3.264 20.742 1.00 0.00 O ATOM 52 CB SER A 6 -2.917 -3.576 23.649 1.00 0.00 C ATOM 53 OG SER A 6 -4.087 -2.780 23.569 1.00 0.00 O ATOM 0 H SER A 6 -2.124 -1.951 21.344 1.00 0.00 H new ATOM 0 HA SER A 6 -1.647 -4.677 22.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.153 -4.528 24.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.178 -3.080 24.278 1.00 0.00 H new ATOM 0 HG SER A 6 -4.446 -2.635 24.469 1.00 0.00 H new ATOM 59 N GLY A 7 -3.648 -5.449 21.032 1.00 0.00 N ATOM 60 CA GLY A 7 -4.684 -5.875 20.109 1.00 0.00 C ATOM 61 C GLY A 7 -4.383 -7.222 19.483 1.00 0.00 C ATOM 62 O GLY A 7 -4.389 -8.247 20.164 1.00 0.00 O ATOM 0 H GLY A 7 -3.116 -6.207 21.459 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.637 -5.927 20.636 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.795 -5.129 19.322 1.00 0.00 H new ATOM 66 N SER A 8 -4.120 -7.221 18.180 1.00 0.00 N ATOM 67 CA SER A 8 -3.821 -8.453 17.459 1.00 0.00 C ATOM 68 C SER A 8 -4.998 -9.421 17.526 1.00 0.00 C ATOM 69 O SER A 8 -4.842 -10.612 17.798 1.00 0.00 O ATOM 70 CB SER A 8 -2.568 -9.116 18.037 1.00 0.00 C ATOM 71 OG SER A 8 -1.418 -8.322 17.803 1.00 0.00 O ATOM 0 H SER A 8 -4.108 -6.381 17.602 1.00 0.00 H new ATOM 0 HA SER A 8 -3.641 -8.199 16.415 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.696 -9.270 19.108 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.433 -10.100 17.587 1.00 0.00 H new ATOM 0 HG SER A 8 -0.631 -8.766 18.183 1.00 0.00 H new ATOM 77 N PRO A 9 -6.207 -8.899 17.271 1.00 0.00 N ATOM 78 CA PRO A 9 -7.435 -9.699 17.294 1.00 0.00 C ATOM 79 C PRO A 9 -7.508 -10.685 16.134 1.00 0.00 C ATOM 80 O PRO A 9 -6.585 -10.772 15.323 1.00 0.00 O ATOM 81 CB PRO A 9 -8.544 -8.650 17.175 1.00 0.00 C ATOM 82 CG PRO A 9 -7.901 -7.497 16.484 1.00 0.00 C ATOM 83 CD PRO A 9 -6.468 -7.489 16.938 1.00 0.00 C ATOM 0 HA PRO A 9 -7.504 -10.313 18.192 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.391 -9.032 16.604 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.924 -8.362 18.155 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.967 -7.605 15.401 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.397 -6.561 16.742 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.800 -7.131 16.154 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.324 -6.839 17.801 1.00 0.00 H new ATOM 91 N ILE A 10 -8.609 -11.425 16.060 1.00 0.00 N ATOM 92 CA ILE A 10 -8.801 -12.404 14.997 1.00 0.00 C ATOM 93 C ILE A 10 -9.848 -11.929 13.995 1.00 0.00 C ATOM 94 O ILE A 10 -10.809 -11.253 14.360 1.00 0.00 O ATOM 95 CB ILE A 10 -9.231 -13.771 15.562 1.00 0.00 C ATOM 96 CG1 ILE A 10 -8.191 -14.284 16.560 1.00 0.00 C ATOM 97 CG2 ILE A 10 -9.429 -14.772 14.433 1.00 0.00 C ATOM 98 CD1 ILE A 10 -8.394 -13.763 17.965 1.00 0.00 C ATOM 0 H ILE A 10 -9.382 -11.365 16.723 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.841 -12.514 14.492 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.180 -13.650 16.085 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.222 -15.373 16.577 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.197 -13.999 16.215 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.733 -15.733 14.848 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.202 -14.409 13.756 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.494 -14.892 13.885 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.621 -14.168 18.618 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.333 -12.675 17.962 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.374 -14.071 18.329 1.00 0.00 H new ATOM 110 N ASN A 11 -9.655 -12.288 12.731 1.00 0.00 N ATOM 111 CA ASN A 11 -10.583 -11.900 11.675 1.00 0.00 C ATOM 112 C ASN A 11 -10.873 -13.075 10.746 1.00 0.00 C ATOM 113 O ASN A 11 -10.000 -13.889 10.443 1.00 0.00 O ATOM 114 CB ASN A 11 -10.014 -10.728 10.872 1.00 0.00 C ATOM 115 CG ASN A 11 -9.726 -9.518 11.740 1.00 0.00 C ATOM 116 OD1 ASN A 11 -10.435 -9.255 12.712 1.00 0.00 O ATOM 117 ND2 ASN A 11 -8.682 -8.775 11.392 1.00 0.00 N ATOM 0 H ASN A 11 -8.864 -12.847 12.412 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.518 -11.591 12.143 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.096 -11.043 10.376 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.720 -10.451 10.089 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.440 -7.948 11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.122 -9.031 10.579 1.00 0.00 H new ATOM 124 N PRO A 12 -12.127 -13.165 10.280 1.00 0.00 N ATOM 125 CA PRO A 12 -12.561 -14.236 9.377 1.00 0.00 C ATOM 126 C PRO A 12 -11.950 -14.104 7.987 1.00 0.00 C ATOM 127 O PRO A 12 -11.375 -15.056 7.458 1.00 0.00 O ATOM 128 CB PRO A 12 -14.080 -14.053 9.314 1.00 0.00 C ATOM 129 CG PRO A 12 -14.301 -12.613 9.628 1.00 0.00 C ATOM 130 CD PRO A 12 -13.219 -12.230 10.599 1.00 0.00 C ATOM 0 HA PRO A 12 -12.251 -15.219 9.731 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.469 -14.308 8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.587 -14.697 10.033 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.249 -12.004 8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.288 -12.455 10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.911 -11.193 10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.550 -12.336 11.632 1.00 0.00 H new ATOM 138 N TYR A 13 -12.079 -12.920 7.399 1.00 0.00 N ATOM 139 CA TYR A 13 -11.541 -12.665 6.068 1.00 0.00 C ATOM 140 C TYR A 13 -10.474 -11.575 6.111 1.00 0.00 C ATOM 141 O TYR A 13 -9.468 -11.645 5.404 1.00 0.00 O ATOM 142 CB TYR A 13 -12.662 -12.258 5.111 1.00 0.00 C ATOM 143 CG TYR A 13 -13.126 -10.831 5.293 1.00 0.00 C ATOM 144 CD1 TYR A 13 -14.070 -10.503 6.257 1.00 0.00 C ATOM 145 CD2 TYR A 13 -12.618 -9.809 4.500 1.00 0.00 C ATOM 146 CE1 TYR A 13 -14.497 -9.200 6.426 1.00 0.00 C ATOM 147 CE2 TYR A 13 -13.038 -8.502 4.663 1.00 0.00 C ATOM 148 CZ TYR A 13 -13.978 -8.204 5.627 1.00 0.00 C ATOM 149 OH TYR A 13 -14.399 -6.904 5.793 1.00 0.00 O ATOM 0 H TYR A 13 -12.551 -12.122 7.823 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.081 -13.585 5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -12.319 -12.391 4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.510 -12.928 5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.478 -11.280 6.886 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.883 -10.040 3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.233 -8.963 7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.632 -7.719 4.039 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.935 -6.326 5.152 1.00 0.00 H new ATOM 159 N LYS A 14 -10.700 -10.568 6.947 1.00 0.00 N ATOM 160 CA LYS A 14 -9.760 -9.462 7.087 1.00 0.00 C ATOM 161 C LYS A 14 -8.397 -9.963 7.555 1.00 0.00 C ATOM 162 O LYS A 14 -7.371 -9.335 7.293 1.00 0.00 O ATOM 163 CB LYS A 14 -10.301 -8.427 8.075 1.00 0.00 C ATOM 164 CG LYS A 14 -11.153 -7.351 7.424 1.00 0.00 C ATOM 165 CD LYS A 14 -10.299 -6.333 6.687 1.00 0.00 C ATOM 166 CE LYS A 14 -9.702 -5.311 7.642 1.00 0.00 C ATOM 167 NZ LYS A 14 -10.740 -4.400 8.199 1.00 0.00 N ATOM 0 H LYS A 14 -11.527 -10.495 7.539 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.640 -8.994 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.893 -8.937 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.463 -7.954 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.853 -7.812 6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.747 -6.846 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.498 -6.846 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.904 -5.823 5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.197 -5.828 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.946 -4.724 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.285 -3.543 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.410 -4.137 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.251 -4.883 8.965 1.00 0.00 H new ATOM 181 N ASP A 15 -8.394 -11.098 8.246 1.00 0.00 N ATOM 182 CA ASP A 15 -7.157 -11.684 8.748 1.00 0.00 C ATOM 183 C ASP A 15 -6.170 -11.927 7.610 1.00 0.00 C ATOM 184 O ASP A 15 -5.038 -11.443 7.642 1.00 0.00 O ATOM 185 CB ASP A 15 -7.448 -12.997 9.475 1.00 0.00 C ATOM 186 CG ASP A 15 -6.184 -13.713 9.908 1.00 0.00 C ATOM 187 OD1 ASP A 15 -5.692 -13.428 11.020 1.00 0.00 O ATOM 188 OD2 ASP A 15 -5.686 -14.557 9.135 1.00 0.00 O ATOM 0 H ASP A 15 -9.234 -11.630 8.471 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.709 -10.980 9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.065 -12.795 10.350 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.026 -13.650 8.821 1.00 0.00 H new ATOM 193 N HIS A 16 -6.606 -12.680 6.605 1.00 0.00 N ATOM 194 CA HIS A 16 -5.761 -12.988 5.457 1.00 0.00 C ATOM 195 C HIS A 16 -4.943 -11.768 5.043 1.00 0.00 C ATOM 196 O HIS A 16 -3.780 -11.890 4.659 1.00 0.00 O ATOM 197 CB HIS A 16 -6.614 -13.467 4.283 1.00 0.00 C ATOM 198 CG HIS A 16 -6.920 -14.933 4.324 1.00 0.00 C ATOM 199 ND1 HIS A 16 -7.704 -15.511 5.300 1.00 0.00 N ATOM 200 CD2 HIS A 16 -6.544 -15.939 3.501 1.00 0.00 C ATOM 201 CE1 HIS A 16 -7.795 -16.810 5.076 1.00 0.00 C ATOM 202 NE2 HIS A 16 -7.100 -17.095 3.990 1.00 0.00 N ATOM 0 H HIS A 16 -7.540 -13.088 6.563 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.074 -13.784 5.745 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.550 -12.909 4.273 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.097 -13.238 3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.922 -15.849 2.623 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.344 -17.518 5.679 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -6.994 -18.023 3.581 1.00 0.00 H new ATOM 211 N MET A 17 -5.559 -10.593 5.122 1.00 0.00 N ATOM 212 CA MET A 17 -4.888 -9.352 4.755 1.00 0.00 C ATOM 213 C MET A 17 -3.988 -8.866 5.887 1.00 0.00 C ATOM 214 O MET A 17 -2.789 -8.665 5.696 1.00 0.00 O ATOM 215 CB MET A 17 -5.916 -8.274 4.407 1.00 0.00 C ATOM 216 CG MET A 17 -6.318 -8.269 2.941 1.00 0.00 C ATOM 217 SD MET A 17 -4.906 -8.086 1.834 1.00 0.00 S ATOM 218 CE MET A 17 -4.872 -9.701 1.059 1.00 0.00 C ATOM 0 H MET A 17 -6.522 -10.475 5.437 1.00 0.00 H new ATOM 0 HA MET A 17 -4.269 -9.548 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.806 -8.421 5.019 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.508 -7.297 4.667 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.839 -9.197 2.708 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.021 -7.455 2.764 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.119 -9.710 0.271 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.626 -10.457 1.804 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.850 -9.919 0.630 1.00 0.00 H new ATOM 228 N SER A 18 -4.575 -8.679 7.065 1.00 0.00 N ATOM 229 CA SER A 18 -3.827 -8.212 8.226 1.00 0.00 C ATOM 230 C SER A 18 -2.436 -8.837 8.263 1.00 0.00 C ATOM 231 O SER A 18 -1.427 -8.133 8.312 1.00 0.00 O ATOM 232 CB SER A 18 -4.583 -8.545 9.514 1.00 0.00 C ATOM 233 OG SER A 18 -5.766 -7.774 9.625 1.00 0.00 O ATOM 0 H SER A 18 -5.566 -8.844 7.240 1.00 0.00 H new ATOM 0 HA SER A 18 -3.718 -7.130 8.146 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.834 -9.606 9.528 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.941 -8.358 10.375 1.00 0.00 H new ATOM 0 HG SER A 18 -6.420 -8.081 8.962 1.00 0.00 H new ATOM 239 N VAL A 19 -2.390 -10.165 8.240 1.00 0.00 N ATOM 240 CA VAL A 19 -1.124 -10.887 8.270 1.00 0.00 C ATOM 241 C VAL A 19 -0.134 -10.304 7.267 1.00 0.00 C ATOM 242 O VAL A 19 0.943 -9.838 7.641 1.00 0.00 O ATOM 243 CB VAL A 19 -1.323 -12.384 7.965 1.00 0.00 C ATOM 244 CG1 VAL A 19 -2.481 -12.582 6.998 1.00 0.00 C ATOM 245 CG2 VAL A 19 -0.044 -12.989 7.409 1.00 0.00 C ATOM 0 H VAL A 19 -3.215 -10.763 8.201 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.723 -10.779 9.278 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.566 -12.898 8.895 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.607 -13.645 6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.396 -12.186 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.271 -12.056 6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.203 -14.047 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.232 -12.474 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.757 -12.880 8.140 1.00 0.00 H new ATOM 255 N LEU A 20 -0.507 -10.331 5.993 1.00 0.00 N ATOM 256 CA LEU A 20 0.348 -9.803 4.934 1.00 0.00 C ATOM 257 C LEU A 20 0.841 -8.402 5.281 1.00 0.00 C ATOM 258 O LEU A 20 2.005 -8.069 5.057 1.00 0.00 O ATOM 259 CB LEU A 20 -0.410 -9.776 3.606 1.00 0.00 C ATOM 260 CG LEU A 20 -1.025 -11.102 3.156 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.670 -10.954 1.787 1.00 0.00 C ATOM 262 CD2 LEU A 20 0.031 -12.198 3.134 1.00 0.00 C ATOM 0 H LEU A 20 -1.395 -10.712 5.667 1.00 0.00 H new ATOM 0 HA LEU A 20 1.213 -10.459 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.207 -9.036 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.272 -9.433 2.828 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.799 -11.383 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.102 -11.908 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.454 -10.199 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.916 -10.650 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.424 -13.135 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.826 -11.923 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.448 -12.322 4.134 1.00 0.00 H new ATOM 274 N LYS A 21 -0.051 -7.585 5.830 1.00 0.00 N ATOM 275 CA LYS A 21 0.293 -6.220 6.211 1.00 0.00 C ATOM 276 C LYS A 21 1.380 -6.212 7.281 1.00 0.00 C ATOM 277 O LYS A 21 2.242 -5.334 7.296 1.00 0.00 O ATOM 278 CB LYS A 21 -0.947 -5.484 6.723 1.00 0.00 C ATOM 279 CG LYS A 21 -1.739 -4.791 5.628 1.00 0.00 C ATOM 280 CD LYS A 21 -3.231 -4.820 5.914 1.00 0.00 C ATOM 281 CE LYS A 21 -4.041 -4.433 4.686 1.00 0.00 C ATOM 282 NZ LYS A 21 -3.976 -2.970 4.416 1.00 0.00 N ATOM 0 H LYS A 21 -1.019 -7.845 6.021 1.00 0.00 H new ATOM 0 HA LYS A 21 0.673 -5.707 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.596 -6.195 7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.640 -4.744 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.406 -3.757 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.541 -5.276 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.520 -5.818 6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.459 -4.137 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.669 -4.979 3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.080 -4.730 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.541 -2.747 3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.354 -2.449 5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.987 -2.690 4.255 1.00 0.00 H new ATOM 296 N ALA A 22 1.333 -7.196 8.174 1.00 0.00 N ATOM 297 CA ALA A 22 2.316 -7.303 9.245 1.00 0.00 C ATOM 298 C ALA A 22 3.707 -7.585 8.687 1.00 0.00 C ATOM 299 O ALA A 22 4.623 -6.777 8.839 1.00 0.00 O ATOM 300 CB ALA A 22 1.908 -8.390 10.228 1.00 0.00 C ATOM 0 H ALA A 22 0.625 -7.930 8.177 1.00 0.00 H new ATOM 0 HA ALA A 22 2.351 -6.348 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.651 -8.459 11.023 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.937 -8.145 10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.843 -9.346 9.708 1.00 0.00 H new ATOM 306 N TYR A 23 3.858 -8.737 8.042 1.00 0.00 N ATOM 307 CA TYR A 23 5.138 -9.127 7.464 1.00 0.00 C ATOM 308 C TYR A 23 5.823 -7.935 6.803 1.00 0.00 C ATOM 309 O TYR A 23 6.999 -7.664 7.050 1.00 0.00 O ATOM 310 CB TYR A 23 4.940 -10.248 6.442 1.00 0.00 C ATOM 311 CG TYR A 23 4.614 -11.586 7.066 1.00 0.00 C ATOM 312 CD1 TYR A 23 5.374 -12.088 8.115 1.00 0.00 C ATOM 313 CD2 TYR A 23 3.548 -12.348 6.606 1.00 0.00 C ATOM 314 CE1 TYR A 23 5.081 -13.311 8.688 1.00 0.00 C ATOM 315 CE2 TYR A 23 3.247 -13.571 7.174 1.00 0.00 C ATOM 316 CZ TYR A 23 4.016 -14.048 8.214 1.00 0.00 C ATOM 317 OH TYR A 23 3.720 -15.266 8.782 1.00 0.00 O ATOM 0 H TYR A 23 3.110 -9.417 7.907 1.00 0.00 H new ATOM 0 HA TYR A 23 5.777 -9.489 8.270 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.136 -9.969 5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.846 -10.347 5.844 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.208 -11.513 8.489 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.944 -11.978 5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.682 -13.687 9.502 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.414 -14.150 6.805 1.00 0.00 H new ATOM 0 HH TYR A 23 2.941 -15.655 8.333 1.00 0.00 H new ATOM 327 N TYR A 24 5.079 -7.226 5.961 1.00 0.00 N ATOM 328 CA TYR A 24 5.614 -6.064 5.261 1.00 0.00 C ATOM 329 C TYR A 24 5.984 -4.959 6.245 1.00 0.00 C ATOM 330 O TYR A 24 7.006 -4.291 6.090 1.00 0.00 O ATOM 331 CB TYR A 24 4.595 -5.539 4.248 1.00 0.00 C ATOM 332 CG TYR A 24 5.196 -4.628 3.202 1.00 0.00 C ATOM 333 CD1 TYR A 24 5.651 -3.358 3.537 1.00 0.00 C ATOM 334 CD2 TYR A 24 5.308 -5.035 1.878 1.00 0.00 C ATOM 335 CE1 TYR A 24 6.200 -2.522 2.585 1.00 0.00 C ATOM 336 CE2 TYR A 24 5.856 -4.206 0.920 1.00 0.00 C ATOM 337 CZ TYR A 24 6.301 -2.950 1.278 1.00 0.00 C ATOM 338 OH TYR A 24 6.847 -2.120 0.326 1.00 0.00 O ATOM 0 H TYR A 24 4.104 -7.436 5.747 1.00 0.00 H new ATOM 0 HA TYR A 24 6.516 -6.373 4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.120 -6.385 3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.811 -5.000 4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.574 -3.019 4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.960 -6.017 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.548 -1.538 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.936 -4.539 -0.104 1.00 0.00 H new ATOM 0 HH TYR A 24 6.846 -2.573 -0.543 1.00 0.00 H new ATOM 348 N ALA A 25 5.146 -4.773 7.259 1.00 0.00 N ATOM 349 CA ALA A 25 5.385 -3.751 8.271 1.00 0.00 C ATOM 350 C ALA A 25 6.791 -3.870 8.850 1.00 0.00 C ATOM 351 O ALA A 25 7.567 -2.916 8.823 1.00 0.00 O ATOM 352 CB ALA A 25 4.346 -3.851 9.378 1.00 0.00 C ATOM 0 H ALA A 25 4.295 -5.317 7.402 1.00 0.00 H new ATOM 0 HA ALA A 25 5.298 -2.775 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.537 -3.082 10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.351 -3.709 8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.405 -4.834 9.845 1.00 0.00 H new ATOM 358 N MET A 26 7.112 -5.049 9.374 1.00 0.00 N ATOM 359 CA MET A 26 8.425 -5.292 9.959 1.00 0.00 C ATOM 360 C MET A 26 9.486 -5.438 8.873 1.00 0.00 C ATOM 361 O MET A 26 10.544 -4.813 8.938 1.00 0.00 O ATOM 362 CB MET A 26 8.394 -6.550 10.830 1.00 0.00 C ATOM 363 CG MET A 26 7.319 -6.519 11.904 1.00 0.00 C ATOM 364 SD MET A 26 5.764 -7.245 11.350 1.00 0.00 S ATOM 365 CE MET A 26 6.230 -8.967 11.195 1.00 0.00 C ATOM 0 H MET A 26 6.481 -5.850 9.405 1.00 0.00 H new ATOM 0 HA MET A 26 8.682 -4.434 10.580 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.234 -7.420 10.192 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.367 -6.677 11.305 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.674 -7.056 12.783 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.145 -5.487 12.210 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.333 -9.585 11.158 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.805 -9.107 10.280 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.836 -9.258 12.053 1.00 0.00 H new ATOM 375 N ASN A 27 9.195 -6.267 7.875 1.00 0.00 N ATOM 376 CA ASN A 27 10.125 -6.495 6.775 1.00 0.00 C ATOM 377 C ASN A 27 9.610 -5.860 5.487 1.00 0.00 C ATOM 378 O ASN A 27 8.706 -6.389 4.841 1.00 0.00 O ATOM 379 CB ASN A 27 10.343 -7.995 6.566 1.00 0.00 C ATOM 380 CG ASN A 27 11.583 -8.290 5.745 1.00 0.00 C ATOM 381 OD1 ASN A 27 11.447 -8.229 4.426 1.00 0.00 O flip ATOM 382 ND2 ASN A 27 12.650 -8.570 6.291 1.00 0.00 N flip ATOM 0 H ASN A 27 8.323 -6.792 7.806 1.00 0.00 H new ATOM 0 HA ASN A 27 11.076 -6.029 7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.427 -8.486 7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.471 -8.420 6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.708 -8.605 7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.476 -8.767 5.726 1.00 0.00 H new ATOM 389 N MET A 28 10.192 -4.723 5.121 1.00 0.00 N ATOM 390 CA MET A 28 9.792 -4.017 3.909 1.00 0.00 C ATOM 391 C MET A 28 9.769 -4.962 2.711 1.00 0.00 C ATOM 392 O MET A 28 8.719 -5.194 2.113 1.00 0.00 O ATOM 393 CB MET A 28 10.745 -2.851 3.635 1.00 0.00 C ATOM 394 CG MET A 28 10.837 -1.859 4.782 1.00 0.00 C ATOM 395 SD MET A 28 9.544 -0.603 4.720 1.00 0.00 S ATOM 396 CE MET A 28 8.448 -1.180 6.012 1.00 0.00 C ATOM 0 H MET A 28 10.941 -4.271 5.645 1.00 0.00 H new ATOM 0 HA MET A 28 8.785 -3.627 4.061 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.739 -3.246 3.427 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.416 -2.327 2.738 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.771 -2.396 5.728 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.812 -1.372 4.759 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.421 -0.908 5.767 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.526 -2.264 6.098 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.729 -0.720 6.959 1.00 0.00 H new ATOM 406 N GLU A 29 10.934 -5.504 2.368 1.00 0.00 N ATOM 407 CA GLU A 29 11.046 -6.422 1.241 1.00 0.00 C ATOM 408 C GLU A 29 11.551 -7.787 1.700 1.00 0.00 C ATOM 409 O GLU A 29 12.741 -7.986 1.946 1.00 0.00 O ATOM 410 CB GLU A 29 11.985 -5.849 0.178 1.00 0.00 C ATOM 411 CG GLU A 29 11.455 -4.590 -0.487 1.00 0.00 C ATOM 412 CD GLU A 29 12.128 -4.304 -1.815 1.00 0.00 C ATOM 413 OE1 GLU A 29 13.244 -3.744 -1.807 1.00 0.00 O ATOM 414 OE2 GLU A 29 11.539 -4.642 -2.863 1.00 0.00 O ATOM 0 H GLU A 29 11.812 -5.323 2.854 1.00 0.00 H new ATOM 0 HA GLU A 29 10.054 -6.548 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.949 -5.629 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.161 -6.607 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.381 -4.690 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.602 -3.741 0.181 1.00 0.00 H new ATOM 421 N PRO A 30 10.626 -8.751 1.819 1.00 0.00 N ATOM 422 CA PRO A 30 10.954 -10.114 2.249 1.00 0.00 C ATOM 423 C PRO A 30 11.755 -10.876 1.199 1.00 0.00 C ATOM 424 O PRO A 30 11.604 -10.644 0.000 1.00 0.00 O ATOM 425 CB PRO A 30 9.582 -10.762 2.450 1.00 0.00 C ATOM 426 CG PRO A 30 8.667 -9.995 1.559 1.00 0.00 C ATOM 427 CD PRO A 30 9.190 -8.585 1.543 1.00 0.00 C ATOM 0 HA PRO A 30 11.579 -10.121 3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.600 -11.819 2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.264 -10.701 3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.655 -10.418 0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.643 -10.027 1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.019 -8.104 0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.704 -7.968 2.299 1.00 0.00 H new ATOM 435 N ASN A 31 12.607 -11.787 1.658 1.00 0.00 N ATOM 436 CA ASN A 31 13.432 -12.584 0.757 1.00 0.00 C ATOM 437 C ASN A 31 12.673 -13.815 0.271 1.00 0.00 C ATOM 438 O ASN A 31 11.721 -14.262 0.909 1.00 0.00 O ATOM 439 CB ASN A 31 14.723 -13.010 1.458 1.00 0.00 C ATOM 440 CG ASN A 31 14.489 -13.433 2.895 1.00 0.00 C ATOM 441 OD1 ASN A 31 14.122 -14.577 3.165 1.00 0.00 O ATOM 442 ND2 ASN A 31 14.699 -12.509 3.825 1.00 0.00 N ATOM 0 H ASN A 31 12.744 -11.992 2.648 1.00 0.00 H new ATOM 0 HA ASN A 31 13.682 -11.969 -0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.176 -13.835 0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.434 -12.184 1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.557 -12.735 4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.003 -11.573 3.555 1.00 0.00 H new ATOM 449 N SER A 32 13.104 -14.359 -0.863 1.00 0.00 N ATOM 450 CA SER A 32 12.464 -15.537 -1.437 1.00 0.00 C ATOM 451 C SER A 32 11.974 -16.478 -0.341 1.00 0.00 C ATOM 452 O SER A 32 10.862 -17.002 -0.408 1.00 0.00 O ATOM 453 CB SER A 32 13.437 -16.274 -2.360 1.00 0.00 C ATOM 454 OG SER A 32 14.655 -16.558 -1.694 1.00 0.00 O ATOM 0 H SER A 32 13.893 -14.003 -1.402 1.00 0.00 H new ATOM 0 HA SER A 32 11.604 -15.205 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.983 -17.203 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.635 -15.668 -3.244 1.00 0.00 H new ATOM 0 HG SER A 32 15.259 -17.031 -2.304 1.00 0.00 H new ATOM 460 N ASP A 33 12.813 -16.687 0.668 1.00 0.00 N ATOM 461 CA ASP A 33 12.466 -17.564 1.781 1.00 0.00 C ATOM 462 C ASP A 33 11.225 -17.056 2.507 1.00 0.00 C ATOM 463 O ASP A 33 10.281 -17.809 2.744 1.00 0.00 O ATOM 464 CB ASP A 33 13.637 -17.668 2.759 1.00 0.00 C ATOM 465 CG ASP A 33 14.577 -18.808 2.418 1.00 0.00 C ATOM 466 OD1 ASP A 33 14.949 -18.936 1.233 1.00 0.00 O ATOM 467 OD2 ASP A 33 14.942 -19.571 3.337 1.00 0.00 O ATOM 0 H ASP A 33 13.737 -16.262 0.738 1.00 0.00 H new ATOM 0 HA ASP A 33 12.249 -18.553 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.192 -16.730 2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.252 -17.808 3.769 1.00 0.00 H new ATOM 472 N GLU A 34 11.234 -15.774 2.858 1.00 0.00 N ATOM 473 CA GLU A 34 10.108 -15.166 3.559 1.00 0.00 C ATOM 474 C GLU A 34 8.848 -15.202 2.699 1.00 0.00 C ATOM 475 O GLU A 34 7.817 -15.737 3.109 1.00 0.00 O ATOM 476 CB GLU A 34 10.437 -13.722 3.942 1.00 0.00 C ATOM 477 CG GLU A 34 11.508 -13.605 5.014 1.00 0.00 C ATOM 478 CD GLU A 34 10.967 -13.856 6.408 1.00 0.00 C ATOM 479 OE1 GLU A 34 10.899 -15.034 6.816 1.00 0.00 O ATOM 480 OE2 GLU A 34 10.613 -12.872 7.092 1.00 0.00 O ATOM 0 H GLU A 34 12.007 -15.136 2.669 1.00 0.00 H new ATOM 0 HA GLU A 34 9.924 -15.742 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.765 -13.185 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.529 -13.232 4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.306 -14.317 4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.950 -12.610 4.974 1.00 0.00 H new ATOM 487 N LEU A 35 8.939 -14.628 1.504 1.00 0.00 N ATOM 488 CA LEU A 35 7.807 -14.592 0.585 1.00 0.00 C ATOM 489 C LEU A 35 7.028 -15.903 0.629 1.00 0.00 C ATOM 490 O LEU A 35 5.807 -15.907 0.797 1.00 0.00 O ATOM 491 CB LEU A 35 8.290 -14.322 -0.841 1.00 0.00 C ATOM 492 CG LEU A 35 8.365 -12.852 -1.257 1.00 0.00 C ATOM 493 CD1 LEU A 35 8.953 -12.722 -2.653 1.00 0.00 C ATOM 494 CD2 LEU A 35 6.987 -12.209 -1.194 1.00 0.00 C ATOM 0 H LEU A 35 9.785 -14.181 1.149 1.00 0.00 H new ATOM 0 HA LEU A 35 7.144 -13.785 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.280 -14.763 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.626 -14.841 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 35 9.020 -12.330 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.999 -11.669 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.958 -13.145 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.325 -13.259 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.059 -11.163 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.310 -12.733 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.604 -12.269 -0.175 1.00 0.00 H new ATOM 506 N LEU A 36 7.741 -17.014 0.480 1.00 0.00 N ATOM 507 CA LEU A 36 7.117 -18.333 0.505 1.00 0.00 C ATOM 508 C LEU A 36 6.274 -18.512 1.764 1.00 0.00 C ATOM 509 O LEU A 36 5.058 -18.690 1.689 1.00 0.00 O ATOM 510 CB LEU A 36 8.185 -19.425 0.433 1.00 0.00 C ATOM 511 CG LEU A 36 7.672 -20.866 0.420 1.00 0.00 C ATOM 512 CD1 LEU A 36 6.534 -21.018 -0.577 1.00 0.00 C ATOM 513 CD2 LEU A 36 8.802 -21.831 0.095 1.00 0.00 C ATOM 0 H LEU A 36 8.751 -17.028 0.341 1.00 0.00 H new ATOM 0 HA LEU A 36 6.463 -18.416 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.780 -19.264 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.855 -19.307 1.285 1.00 0.00 H new ATOM 0 HG LEU A 36 7.292 -21.106 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.182 -22.050 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.716 -20.354 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.888 -20.760 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.419 -22.851 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.213 -21.593 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.585 -21.741 0.848 1.00 0.00 H new ATOM 525 N LYS A 37 6.927 -18.461 2.919 1.00 0.00 N ATOM 526 CA LYS A 37 6.238 -18.614 4.196 1.00 0.00 C ATOM 527 C LYS A 37 5.029 -17.687 4.276 1.00 0.00 C ATOM 528 O LYS A 37 3.949 -18.096 4.703 1.00 0.00 O ATOM 529 CB LYS A 37 7.195 -18.323 5.353 1.00 0.00 C ATOM 530 CG LYS A 37 7.854 -19.566 5.925 1.00 0.00 C ATOM 531 CD LYS A 37 7.098 -20.092 7.133 1.00 0.00 C ATOM 532 CE LYS A 37 6.064 -21.134 6.733 1.00 0.00 C ATOM 533 NZ LYS A 37 6.686 -22.461 6.473 1.00 0.00 N ATOM 0 H LYS A 37 7.933 -18.315 2.998 1.00 0.00 H new ATOM 0 HA LYS A 37 5.889 -19.644 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.969 -17.637 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.648 -17.814 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.901 -20.340 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.881 -19.336 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.801 -20.529 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.604 -19.265 7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.321 -21.230 7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.537 -20.799 5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.949 -23.143 6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.377 -22.375 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.167 -22.793 7.333 1.00 0.00 H new ATOM 547 N ILE A 38 5.218 -16.439 3.861 1.00 0.00 N ATOM 548 CA ILE A 38 4.142 -15.456 3.884 1.00 0.00 C ATOM 549 C ILE A 38 2.882 -16.004 3.223 1.00 0.00 C ATOM 550 O ILE A 38 1.784 -15.892 3.767 1.00 0.00 O ATOM 551 CB ILE A 38 4.555 -14.153 3.175 1.00 0.00 C ATOM 552 CG1 ILE A 38 5.788 -13.548 3.849 1.00 0.00 C ATOM 553 CG2 ILE A 38 3.402 -13.160 3.179 1.00 0.00 C ATOM 554 CD1 ILE A 38 6.562 -12.603 2.957 1.00 0.00 C ATOM 0 H ILE A 38 6.106 -16.085 3.505 1.00 0.00 H new ATOM 0 HA ILE A 38 3.935 -15.240 4.932 1.00 0.00 H new ATOM 0 HB ILE A 38 4.807 -14.384 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.476 -13.014 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.448 -14.354 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.709 -12.244 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.548 -13.592 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.122 -12.931 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.422 -12.212 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.905 -13.138 2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.918 -11.777 2.656 1.00 0.00 H new ATOM 566 N SER A 39 3.049 -16.600 2.047 1.00 0.00 N ATOM 567 CA SER A 39 1.925 -17.165 1.309 1.00 0.00 C ATOM 568 C SER A 39 1.508 -18.508 1.901 1.00 0.00 C ATOM 569 O SER A 39 0.398 -18.986 1.661 1.00 0.00 O ATOM 570 CB SER A 39 2.290 -17.336 -0.167 1.00 0.00 C ATOM 571 OG SER A 39 2.888 -18.600 -0.401 1.00 0.00 O ATOM 0 H SER A 39 3.952 -16.704 1.584 1.00 0.00 H new ATOM 0 HA SER A 39 1.085 -16.475 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.395 -17.234 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.975 -16.544 -0.470 1.00 0.00 H new ATOM 0 HG SER A 39 3.612 -18.744 0.244 1.00 0.00 H new ATOM 577 N ILE A 40 2.404 -19.111 2.674 1.00 0.00 N ATOM 578 CA ILE A 40 2.129 -20.398 3.301 1.00 0.00 C ATOM 579 C ILE A 40 1.227 -20.234 4.520 1.00 0.00 C ATOM 580 O ILE A 40 0.163 -20.847 4.604 1.00 0.00 O ATOM 581 CB ILE A 40 3.428 -21.105 3.729 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.146 -21.684 2.508 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.127 -22.200 4.742 1.00 0.00 C ATOM 584 CD1 ILE A 40 5.434 -22.401 2.848 1.00 0.00 C ATOM 0 H ILE A 40 3.327 -18.729 2.881 1.00 0.00 H new ATOM 0 HA ILE A 40 1.621 -21.010 2.556 1.00 0.00 H new ATOM 0 HB ILE A 40 4.084 -20.373 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.477 -22.378 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.363 -20.877 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.056 -22.690 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.655 -21.762 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.454 -22.933 4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.888 -22.785 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.121 -21.706 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.222 -23.229 3.524 1.00 0.00 H new ATOM 596 N ALA A 41 1.659 -19.402 5.461 1.00 0.00 N ATOM 597 CA ALA A 41 0.890 -19.154 6.674 1.00 0.00 C ATOM 598 C ALA A 41 -0.579 -18.900 6.350 1.00 0.00 C ATOM 599 O ALA A 41 -1.470 -19.354 7.067 1.00 0.00 O ATOM 600 CB ALA A 41 1.475 -17.976 7.439 1.00 0.00 C ATOM 0 H ALA A 41 2.538 -18.888 5.407 1.00 0.00 H new ATOM 0 HA ALA A 41 0.949 -20.044 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.890 -17.802 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.507 -18.196 7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.447 -17.085 6.812 1.00 0.00 H new ATOM 606 N VAL A 42 -0.823 -18.171 5.266 1.00 0.00 N ATOM 607 CA VAL A 42 -2.184 -17.857 4.846 1.00 0.00 C ATOM 608 C VAL A 42 -2.748 -18.952 3.948 1.00 0.00 C ATOM 609 O VAL A 42 -3.949 -19.219 3.957 1.00 0.00 O ATOM 610 CB VAL A 42 -2.244 -16.512 4.098 1.00 0.00 C ATOM 611 CG1 VAL A 42 -2.034 -15.355 5.063 1.00 0.00 C ATOM 612 CG2 VAL A 42 -1.215 -16.479 2.979 1.00 0.00 C ATOM 0 H VAL A 42 -0.096 -17.787 4.662 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.787 -17.788 5.751 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.233 -16.407 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.080 -14.413 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.813 -15.371 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.058 -15.451 5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.271 -15.522 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.217 -16.606 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.418 -17.285 2.274 1.00 0.00 H new ATOM 622 N GLY A 43 -1.873 -19.584 3.173 1.00 0.00 N ATOM 623 CA GLY A 43 -2.303 -20.644 2.279 1.00 0.00 C ATOM 624 C GLY A 43 -2.379 -20.188 0.835 1.00 0.00 C ATOM 625 O GLY A 43 -2.665 -20.985 -0.061 1.00 0.00 O ATOM 0 H GLY A 43 -0.874 -19.381 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.612 -21.483 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.281 -21.007 2.594 1.00 0.00 H new ATOM 629 N LEU A 44 -2.126 -18.904 0.607 1.00 0.00 N ATOM 630 CA LEU A 44 -2.170 -18.343 -0.739 1.00 0.00 C ATOM 631 C LEU A 44 -0.923 -18.728 -1.530 1.00 0.00 C ATOM 632 O LEU A 44 0.128 -19.035 -0.968 1.00 0.00 O ATOM 633 CB LEU A 44 -2.296 -16.820 -0.674 1.00 0.00 C ATOM 634 CG LEU A 44 -3.679 -16.276 -0.312 1.00 0.00 C ATOM 635 CD1 LEU A 44 -3.564 -14.887 0.296 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.579 -16.250 -1.539 1.00 0.00 C ATOM 0 H LEU A 44 -1.888 -18.232 1.336 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.042 -18.752 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.578 -16.447 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.008 -16.410 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.127 -16.938 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.558 -14.516 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.955 -14.934 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.096 -14.213 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.559 -15.860 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.136 -15.610 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.688 -17.261 -1.932 1.00 0.00 H new ATOM 648 N PRO A 45 -1.041 -18.709 -2.866 1.00 0.00 N ATOM 649 CA PRO A 45 0.067 -19.051 -3.763 1.00 0.00 C ATOM 650 C PRO A 45 1.171 -17.999 -3.747 1.00 0.00 C ATOM 651 O PRO A 45 0.935 -16.835 -4.069 1.00 0.00 O ATOM 652 CB PRO A 45 -0.597 -19.109 -5.141 1.00 0.00 C ATOM 653 CG PRO A 45 -1.789 -18.223 -5.024 1.00 0.00 C ATOM 654 CD PRO A 45 -2.264 -18.353 -3.604 1.00 0.00 C ATOM 0 HA PRO A 45 0.556 -19.980 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.080 -18.761 -5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.885 -20.128 -5.399 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.531 -17.190 -5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.568 -18.522 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.697 -17.422 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.031 -19.122 -3.506 1.00 0.00 H new ATOM 662 N GLN A 46 2.375 -18.418 -3.371 1.00 0.00 N ATOM 663 CA GLN A 46 3.515 -17.510 -3.314 1.00 0.00 C ATOM 664 C GLN A 46 3.521 -16.567 -4.513 1.00 0.00 C ATOM 665 O GLN A 46 3.797 -15.376 -4.375 1.00 0.00 O ATOM 666 CB GLN A 46 4.823 -18.302 -3.268 1.00 0.00 C ATOM 667 CG GLN A 46 6.014 -17.483 -2.796 1.00 0.00 C ATOM 668 CD GLN A 46 7.311 -18.267 -2.829 1.00 0.00 C ATOM 669 OE1 GLN A 46 7.349 -19.407 -3.293 1.00 0.00 O ATOM 670 NE2 GLN A 46 8.383 -17.659 -2.335 1.00 0.00 N ATOM 0 H GLN A 46 2.586 -19.379 -3.102 1.00 0.00 H new ATOM 0 HA GLN A 46 3.427 -16.914 -2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.696 -19.159 -2.606 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.035 -18.696 -4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.113 -16.598 -3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.830 -17.134 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.306 -16.713 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.284 -18.138 -2.330 1.00 0.00 H new ATOM 679 N GLU A 47 3.213 -17.108 -5.687 1.00 0.00 N ATOM 680 CA GLU A 47 3.185 -16.314 -6.910 1.00 0.00 C ATOM 681 C GLU A 47 2.336 -15.059 -6.723 1.00 0.00 C ATOM 682 O GLU A 47 2.713 -13.971 -7.157 1.00 0.00 O ATOM 683 CB GLU A 47 2.637 -17.145 -8.072 1.00 0.00 C ATOM 684 CG GLU A 47 3.446 -18.400 -8.356 1.00 0.00 C ATOM 685 CD GLU A 47 4.941 -18.147 -8.338 1.00 0.00 C ATOM 686 OE1 GLU A 47 5.514 -18.065 -7.231 1.00 0.00 O ATOM 687 OE2 GLU A 47 5.537 -18.031 -9.428 1.00 0.00 O ATOM 0 H GLU A 47 2.979 -18.092 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 47 4.206 -16.011 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.608 -17.428 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.613 -16.527 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.201 -19.161 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.161 -18.799 -9.329 1.00 0.00 H new ATOM 694 N PHE A 48 1.186 -15.221 -6.076 1.00 0.00 N ATOM 695 CA PHE A 48 0.282 -14.103 -5.833 1.00 0.00 C ATOM 696 C PHE A 48 0.892 -13.115 -4.842 1.00 0.00 C ATOM 697 O PHE A 48 1.100 -11.945 -5.163 1.00 0.00 O ATOM 698 CB PHE A 48 -1.060 -14.611 -5.304 1.00 0.00 C ATOM 699 CG PHE A 48 -2.021 -13.511 -4.953 1.00 0.00 C ATOM 700 CD1 PHE A 48 -1.892 -12.813 -3.763 1.00 0.00 C ATOM 701 CD2 PHE A 48 -3.054 -13.175 -5.813 1.00 0.00 C ATOM 702 CE1 PHE A 48 -2.774 -11.800 -3.438 1.00 0.00 C ATOM 703 CE2 PHE A 48 -3.939 -12.163 -5.493 1.00 0.00 C ATOM 704 CZ PHE A 48 -3.800 -11.475 -4.303 1.00 0.00 C ATOM 0 H PHE A 48 0.859 -16.115 -5.711 1.00 0.00 H new ATOM 0 HA PHE A 48 0.120 -13.587 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.517 -15.256 -6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.884 -15.225 -4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.093 -13.064 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.169 -13.710 -6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.661 -11.263 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.739 -11.910 -6.173 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.492 -10.685 -4.050 1.00 0.00 H new ATOM 714 N VAL A 49 1.176 -13.596 -3.636 1.00 0.00 N ATOM 715 CA VAL A 49 1.762 -12.757 -2.597 1.00 0.00 C ATOM 716 C VAL A 49 2.837 -11.842 -3.172 1.00 0.00 C ATOM 717 O VAL A 49 2.875 -10.648 -2.874 1.00 0.00 O ATOM 718 CB VAL A 49 2.376 -13.608 -1.470 1.00 0.00 C ATOM 719 CG1 VAL A 49 3.338 -12.775 -0.636 1.00 0.00 C ATOM 720 CG2 VAL A 49 1.283 -14.206 -0.598 1.00 0.00 C ATOM 0 H VAL A 49 1.010 -14.562 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 49 0.955 -12.151 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 49 2.938 -14.426 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.762 -13.393 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.140 -12.399 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.802 -11.935 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.735 -14.804 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.692 -13.405 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.637 -14.838 -1.207 1.00 0.00 H new ATOM 730 N LYS A 50 3.709 -12.409 -3.998 1.00 0.00 N ATOM 731 CA LYS A 50 4.785 -11.644 -4.618 1.00 0.00 C ATOM 732 C LYS A 50 4.271 -10.308 -5.142 1.00 0.00 C ATOM 733 O LYS A 50 4.759 -9.248 -4.751 1.00 0.00 O ATOM 734 CB LYS A 50 5.415 -12.444 -5.760 1.00 0.00 C ATOM 735 CG LYS A 50 6.395 -11.641 -6.597 1.00 0.00 C ATOM 736 CD LYS A 50 7.676 -11.353 -5.833 1.00 0.00 C ATOM 737 CE LYS A 50 8.515 -10.293 -6.531 1.00 0.00 C ATOM 738 NZ LYS A 50 9.931 -10.314 -6.069 1.00 0.00 N ATOM 0 H LYS A 50 3.692 -13.396 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 50 5.542 -11.449 -3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.930 -13.310 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.624 -12.823 -6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.630 -12.189 -7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.932 -10.702 -6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.432 -11.020 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.256 -12.271 -5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.482 -10.455 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.086 -9.309 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.470 -9.577 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.965 -10.134 -5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.348 -11.245 -6.271 1.00 0.00 H new ATOM 752 N GLU A 51 3.282 -10.366 -6.029 1.00 0.00 N ATOM 753 CA GLU A 51 2.702 -9.159 -6.606 1.00 0.00 C ATOM 754 C GLU A 51 2.192 -8.224 -5.512 1.00 0.00 C ATOM 755 O GLU A 51 2.474 -7.026 -5.524 1.00 0.00 O ATOM 756 CB GLU A 51 1.560 -9.520 -7.558 1.00 0.00 C ATOM 757 CG GLU A 51 2.026 -10.177 -8.846 1.00 0.00 C ATOM 758 CD GLU A 51 0.956 -11.047 -9.477 1.00 0.00 C ATOM 759 OE1 GLU A 51 0.727 -12.166 -8.971 1.00 0.00 O ATOM 760 OE2 GLU A 51 0.348 -10.609 -10.476 1.00 0.00 O ATOM 0 H GLU A 51 2.866 -11.235 -6.363 1.00 0.00 H new ATOM 0 HA GLU A 51 3.482 -8.643 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.870 -10.191 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.002 -8.616 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.327 -9.406 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.908 -10.783 -8.642 1.00 0.00 H new ATOM 767 N TRP A 52 1.439 -8.781 -4.570 1.00 0.00 N ATOM 768 CA TRP A 52 0.889 -7.998 -3.470 1.00 0.00 C ATOM 769 C TRP A 52 1.958 -7.106 -2.849 1.00 0.00 C ATOM 770 O TRP A 52 1.700 -5.947 -2.521 1.00 0.00 O ATOM 771 CB TRP A 52 0.297 -8.923 -2.405 1.00 0.00 C ATOM 772 CG TRP A 52 -0.359 -8.186 -1.276 1.00 0.00 C ATOM 773 CD1 TRP A 52 -1.614 -7.648 -1.269 1.00 0.00 C ATOM 774 CD2 TRP A 52 0.208 -7.905 0.008 1.00 0.00 C ATOM 775 NE1 TRP A 52 -1.861 -7.049 -0.057 1.00 0.00 N ATOM 776 CE2 TRP A 52 -0.759 -7.194 0.744 1.00 0.00 C ATOM 777 CE3 TRP A 52 1.438 -8.187 0.608 1.00 0.00 C ATOM 778 CZ2 TRP A 52 -0.532 -6.761 2.048 1.00 0.00 C ATOM 779 CZ3 TRP A 52 1.662 -7.757 1.902 1.00 0.00 C ATOM 780 CH2 TRP A 52 0.681 -7.051 2.611 1.00 0.00 C ATOM 0 H TRP A 52 1.196 -9.771 -4.546 1.00 0.00 H new ATOM 0 HA TRP A 52 0.099 -7.362 -3.869 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.434 -9.582 -2.873 1.00 0.00 H new ATOM 0 HB3 TRP A 52 1.088 -9.557 -2.005 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.310 -7.687 -2.094 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.725 -6.573 0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.200 -8.731 0.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.287 -6.216 2.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.610 -7.969 2.375 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.886 -6.730 3.621 1.00 0.00 H new ATOM 791 N PHE A 53 3.159 -7.652 -2.689 1.00 0.00 N ATOM 792 CA PHE A 53 4.267 -6.905 -2.105 1.00 0.00 C ATOM 793 C PHE A 53 4.766 -5.832 -3.069 1.00 0.00 C ATOM 794 O PHE A 53 5.049 -4.704 -2.665 1.00 0.00 O ATOM 795 CB PHE A 53 5.412 -7.851 -1.740 1.00 0.00 C ATOM 796 CG PHE A 53 5.317 -8.397 -0.344 1.00 0.00 C ATOM 797 CD1 PHE A 53 4.460 -9.447 -0.054 1.00 0.00 C ATOM 798 CD2 PHE A 53 6.084 -7.862 0.677 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.370 -9.950 1.230 1.00 0.00 C ATOM 800 CE2 PHE A 53 5.999 -8.361 1.963 1.00 0.00 C ATOM 801 CZ PHE A 53 5.141 -9.408 2.239 1.00 0.00 C ATOM 0 H PHE A 53 3.390 -8.609 -2.956 1.00 0.00 H new ATOM 0 HA PHE A 53 3.907 -6.417 -1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.426 -8.681 -2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.359 -7.322 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.856 -9.877 -0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.757 -7.044 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.697 -10.767 1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.602 -7.933 2.750 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.073 -9.802 3.242 1.00 0.00 H new ATOM 811 N GLU A 54 4.872 -6.193 -4.344 1.00 0.00 N ATOM 812 CA GLU A 54 5.338 -5.262 -5.365 1.00 0.00 C ATOM 813 C GLU A 54 4.411 -4.055 -5.465 1.00 0.00 C ATOM 814 O GLU A 54 4.862 -2.910 -5.451 1.00 0.00 O ATOM 815 CB GLU A 54 5.430 -5.962 -6.722 1.00 0.00 C ATOM 816 CG GLU A 54 6.409 -7.124 -6.742 1.00 0.00 C ATOM 817 CD GLU A 54 6.947 -7.409 -8.131 1.00 0.00 C ATOM 818 OE1 GLU A 54 7.522 -6.486 -8.745 1.00 0.00 O ATOM 819 OE2 GLU A 54 6.794 -8.555 -8.604 1.00 0.00 O ATOM 0 H GLU A 54 4.642 -7.123 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 54 6.330 -4.914 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.441 -6.326 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.727 -5.234 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.241 -6.905 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.916 -8.017 -6.357 1.00 0.00 H new ATOM 826 N GLN A 55 3.112 -4.320 -5.566 1.00 0.00 N ATOM 827 CA GLN A 55 2.121 -3.256 -5.670 1.00 0.00 C ATOM 828 C GLN A 55 2.387 -2.162 -4.642 1.00 0.00 C ATOM 829 O GLN A 55 2.482 -0.983 -4.985 1.00 0.00 O ATOM 830 CB GLN A 55 0.713 -3.821 -5.478 1.00 0.00 C ATOM 831 CG GLN A 55 0.153 -4.497 -6.719 1.00 0.00 C ATOM 832 CD GLN A 55 -1.150 -5.223 -6.451 1.00 0.00 C ATOM 833 OE1 GLN A 55 -2.077 -4.663 -5.866 1.00 0.00 O ATOM 834 NE2 GLN A 55 -1.228 -6.478 -6.880 1.00 0.00 N ATOM 0 H GLN A 55 2.722 -5.262 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 55 2.197 -2.820 -6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.728 -4.540 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.044 -3.013 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.006 -3.748 -7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.886 -5.205 -7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.435 -6.903 -7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.081 -7.017 -6.729 1.00 0.00 H new ATOM 843 N ARG A 56 2.507 -2.560 -3.379 1.00 0.00 N ATOM 844 CA ARG A 56 2.761 -1.612 -2.301 1.00 0.00 C ATOM 845 C ARG A 56 3.810 -0.585 -2.715 1.00 0.00 C ATOM 846 O ARG A 56 3.750 0.577 -2.313 1.00 0.00 O ATOM 847 CB ARG A 56 3.223 -2.350 -1.043 1.00 0.00 C ATOM 848 CG ARG A 56 3.448 -1.437 0.151 1.00 0.00 C ATOM 849 CD ARG A 56 2.184 -1.287 0.984 1.00 0.00 C ATOM 850 NE ARG A 56 1.611 -2.581 1.348 1.00 0.00 N ATOM 851 CZ ARG A 56 1.999 -3.284 2.406 1.00 0.00 C ATOM 852 NH1 ARG A 56 2.955 -2.821 3.200 1.00 0.00 N ATOM 853 NH2 ARG A 56 1.430 -4.453 2.672 1.00 0.00 N ATOM 0 H ARG A 56 2.432 -3.532 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 56 1.830 -1.088 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.479 -3.102 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.149 -2.881 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.249 -1.839 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.775 -0.457 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.411 -0.724 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.448 -0.709 0.425 1.00 0.00 H new ATOM 0 HE ARG A 56 0.873 -2.965 0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.394 -1.923 2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.251 -3.363 4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.694 -4.812 2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.729 -4.992 3.485 1.00 0.00 H new ATOM 867 N LYS A 57 4.772 -1.022 -3.521 1.00 0.00 N ATOM 868 CA LYS A 57 5.836 -0.142 -3.991 1.00 0.00 C ATOM 869 C LYS A 57 5.289 0.902 -4.959 1.00 0.00 C ATOM 870 O LYS A 57 5.719 2.056 -4.952 1.00 0.00 O ATOM 871 CB LYS A 57 6.937 -0.958 -4.671 1.00 0.00 C ATOM 872 CG LYS A 57 7.549 -2.020 -3.775 1.00 0.00 C ATOM 873 CD LYS A 57 8.887 -2.499 -4.312 1.00 0.00 C ATOM 874 CE LYS A 57 8.714 -3.635 -5.309 1.00 0.00 C ATOM 875 NZ LYS A 57 9.937 -3.841 -6.133 1.00 0.00 N ATOM 0 H LYS A 57 4.837 -1.981 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 57 6.256 0.374 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.526 -1.437 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.723 -0.282 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.682 -1.618 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.866 -2.865 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.406 -1.669 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.514 -2.832 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.477 -4.555 -4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.868 -3.419 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.779 -4.623 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.149 -2.972 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.739 -4.072 -5.512 1.00 0.00 H new ATOM 889 N VAL A 58 4.338 0.490 -5.792 1.00 0.00 N ATOM 890 CA VAL A 58 3.731 1.391 -6.764 1.00 0.00 C ATOM 891 C VAL A 58 3.224 2.663 -6.094 1.00 0.00 C ATOM 892 O VAL A 58 3.234 3.739 -6.693 1.00 0.00 O ATOM 893 CB VAL A 58 2.563 0.713 -7.504 1.00 0.00 C ATOM 894 CG1 VAL A 58 1.906 1.686 -8.471 1.00 0.00 C ATOM 895 CG2 VAL A 58 3.045 -0.532 -8.234 1.00 0.00 C ATOM 0 H VAL A 58 3.972 -0.462 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 58 4.507 1.649 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 58 1.818 0.410 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.083 1.189 -8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.524 2.545 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.640 2.023 -9.203 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.206 -0.998 -8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.810 -0.255 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.464 -1.236 -7.515 1.00 0.00 H new ATOM 905 N TYR A 59 2.781 2.532 -4.848 1.00 0.00 N ATOM 906 CA TYR A 59 2.268 3.671 -4.096 1.00 0.00 C ATOM 907 C TYR A 59 3.398 4.407 -3.383 1.00 0.00 C ATOM 908 O TYR A 59 3.486 5.633 -3.439 1.00 0.00 O ATOM 909 CB TYR A 59 1.224 3.208 -3.079 1.00 0.00 C ATOM 910 CG TYR A 59 0.330 2.102 -3.590 1.00 0.00 C ATOM 911 CD1 TYR A 59 0.758 0.780 -3.589 1.00 0.00 C ATOM 912 CD2 TYR A 59 -0.943 2.378 -4.074 1.00 0.00 C ATOM 913 CE1 TYR A 59 -0.056 -0.235 -4.056 1.00 0.00 C ATOM 914 CE2 TYR A 59 -1.764 1.369 -4.541 1.00 0.00 C ATOM 915 CZ TYR A 59 -1.316 0.065 -4.530 1.00 0.00 C ATOM 916 OH TYR A 59 -2.130 -0.942 -4.996 1.00 0.00 O ATOM 0 H TYR A 59 2.767 1.649 -4.338 1.00 0.00 H new ATOM 0 HA TYR A 59 1.800 4.358 -4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.733 2.865 -2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.607 4.059 -2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.743 0.541 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.297 3.398 -4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.293 -1.257 -4.050 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.751 1.601 -4.913 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.983 -0.562 -5.292 1.00 0.00 H new ATOM 926 N GLN A 60 4.260 3.648 -2.714 1.00 0.00 N ATOM 927 CA GLN A 60 5.385 4.228 -1.990 1.00 0.00 C ATOM 928 C GLN A 60 6.238 5.094 -2.911 1.00 0.00 C ATOM 929 O GLN A 60 6.880 6.046 -2.466 1.00 0.00 O ATOM 930 CB GLN A 60 6.244 3.123 -1.371 1.00 0.00 C ATOM 931 CG GLN A 60 7.385 2.667 -2.264 1.00 0.00 C ATOM 932 CD GLN A 60 8.282 1.647 -1.591 1.00 0.00 C ATOM 933 OE1 GLN A 60 7.832 0.865 -0.753 1.00 0.00 O ATOM 934 NE2 GLN A 60 9.559 1.649 -1.954 1.00 0.00 N ATOM 0 H GLN A 60 4.201 2.631 -2.658 1.00 0.00 H new ATOM 0 HA GLN A 60 4.986 4.858 -1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.654 3.479 -0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.610 2.267 -1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.976 2.238 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.980 3.532 -2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.890 2.315 -2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.210 0.985 -1.534 1.00 0.00 H new ATOM 943 N TYR A 61 6.240 4.759 -4.196 1.00 0.00 N ATOM 944 CA TYR A 61 7.016 5.504 -5.180 1.00 0.00 C ATOM 945 C TYR A 61 6.249 6.733 -5.661 1.00 0.00 C ATOM 946 O TYR A 61 6.838 7.780 -5.930 1.00 0.00 O ATOM 947 CB TYR A 61 7.365 4.609 -6.370 1.00 0.00 C ATOM 948 CG TYR A 61 8.725 3.957 -6.259 1.00 0.00 C ATOM 949 CD1 TYR A 61 8.882 2.738 -5.613 1.00 0.00 C ATOM 950 CD2 TYR A 61 9.852 4.561 -6.801 1.00 0.00 C ATOM 951 CE1 TYR A 61 10.122 2.139 -5.508 1.00 0.00 C ATOM 952 CE2 TYR A 61 11.097 3.969 -6.703 1.00 0.00 C ATOM 953 CZ TYR A 61 11.226 2.758 -6.055 1.00 0.00 C ATOM 954 OH TYR A 61 12.464 2.165 -5.954 1.00 0.00 O ATOM 0 H TYR A 61 5.712 3.976 -4.581 1.00 0.00 H new ATOM 0 HA TYR A 61 7.937 5.837 -4.702 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.606 3.833 -6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.330 5.203 -7.283 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.019 2.250 -5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.754 5.510 -7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.226 1.191 -5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.963 4.451 -7.131 1.00 0.00 H new ATOM 0 HH TYR A 61 13.134 2.730 -6.392 1.00 0.00 H new ATOM 964 N SER A 62 4.931 6.596 -5.765 1.00 0.00 N ATOM 965 CA SER A 62 4.082 7.693 -6.215 1.00 0.00 C ATOM 966 C SER A 62 3.799 8.666 -5.075 1.00 0.00 C ATOM 967 O SER A 62 3.741 8.273 -3.910 1.00 0.00 O ATOM 968 CB SER A 62 2.766 7.150 -6.776 1.00 0.00 C ATOM 969 OG SER A 62 1.850 6.859 -5.735 1.00 0.00 O ATOM 0 H SER A 62 4.428 5.737 -5.544 1.00 0.00 H new ATOM 0 HA SER A 62 4.611 8.229 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.328 7.880 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.959 6.248 -7.357 1.00 0.00 H new ATOM 0 HG SER A 62 1.354 7.671 -5.499 1.00 0.00 H new ATOM 975 N ASN A 63 3.624 9.937 -5.419 1.00 0.00 N ATOM 976 CA ASN A 63 3.348 10.968 -4.425 1.00 0.00 C ATOM 977 C ASN A 63 2.063 10.658 -3.663 1.00 0.00 C ATOM 978 O ASN A 63 2.078 10.477 -2.446 1.00 0.00 O ATOM 979 CB ASN A 63 3.239 12.338 -5.096 1.00 0.00 C ATOM 980 CG ASN A 63 3.623 13.471 -4.164 1.00 0.00 C ATOM 981 OD1 ASN A 63 2.985 13.686 -3.134 1.00 0.00 O ATOM 982 ND2 ASN A 63 4.672 14.202 -4.524 1.00 0.00 N ATOM 0 H ASN A 63 3.668 10.278 -6.379 1.00 0.00 H new ATOM 0 HA ASN A 63 4.175 10.984 -3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.882 12.361 -5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.217 12.488 -5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.978 14.978 -3.937 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.171 13.987 -5.387 1.00 0.00 H new ATOM 989 N SER A 64 0.951 10.597 -4.390 1.00 0.00 N ATOM 990 CA SER A 64 -0.344 10.312 -3.783 1.00 0.00 C ATOM 991 C SER A 64 -0.409 8.869 -3.295 1.00 0.00 C ATOM 992 O SER A 64 -0.026 7.942 -4.009 1.00 0.00 O ATOM 993 CB SER A 64 -1.469 10.575 -4.786 1.00 0.00 C ATOM 994 OG SER A 64 -2.735 10.286 -4.218 1.00 0.00 O ATOM 0 H SER A 64 0.921 10.741 -5.399 1.00 0.00 H new ATOM 0 HA SER A 64 -0.470 10.973 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.439 11.617 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.318 9.964 -5.676 1.00 0.00 H new ATOM 0 HG SER A 64 -3.438 10.464 -4.878 1.00 0.00 H new ATOM 1000 N ARG A 65 -0.898 8.686 -2.072 1.00 0.00 N ATOM 1001 CA ARG A 65 -1.013 7.356 -1.487 1.00 0.00 C ATOM 1002 C ARG A 65 -2.202 7.283 -0.532 1.00 0.00 C ATOM 1003 O ARG A 65 -2.626 8.295 0.025 1.00 0.00 O ATOM 1004 CB ARG A 65 0.274 6.989 -0.745 1.00 0.00 C ATOM 1005 CG ARG A 65 0.474 7.764 0.547 1.00 0.00 C ATOM 1006 CD ARG A 65 1.435 7.049 1.483 1.00 0.00 C ATOM 1007 NE ARG A 65 1.279 7.487 2.867 1.00 0.00 N ATOM 1008 CZ ARG A 65 1.641 6.754 3.915 1.00 0.00 C ATOM 1009 NH1 ARG A 65 2.176 5.555 3.736 1.00 0.00 N ATOM 1010 NH2 ARG A 65 1.467 7.222 5.145 1.00 0.00 N ATOM 0 H ARG A 65 -1.221 9.442 -1.468 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.174 6.643 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.263 5.922 -0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.126 7.168 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.858 8.759 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.487 7.899 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.267 5.974 1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.460 7.231 1.159 1.00 0.00 H new ATOM 0 HE ARG A 65 0.870 8.405 3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.311 5.192 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.453 4.995 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.055 8.144 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.745 6.659 5.949 1.00 0.00 H new ATOM 1024 N SER A 66 -2.734 6.078 -0.349 1.00 0.00 N ATOM 1025 CA SER A 66 -3.876 5.874 0.534 1.00 0.00 C ATOM 1026 C SER A 66 -3.454 5.961 1.997 1.00 0.00 C ATOM 1027 O SER A 66 -2.274 5.837 2.323 1.00 0.00 O ATOM 1028 CB SER A 66 -4.524 4.516 0.258 1.00 0.00 C ATOM 1029 OG SER A 66 -5.839 4.462 0.784 1.00 0.00 O ATOM 0 H SER A 66 -2.392 5.229 -0.800 1.00 0.00 H new ATOM 0 HA SER A 66 -4.602 6.662 0.336 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.551 4.334 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.919 3.724 0.700 1.00 0.00 H new ATOM 0 HG SER A 66 -6.232 3.585 0.593 1.00 0.00 H new ATOM 1035 N GLY A 67 -4.428 6.175 2.876 1.00 0.00 N ATOM 1036 CA GLY A 67 -4.138 6.276 4.295 1.00 0.00 C ATOM 1037 C GLY A 67 -5.230 5.670 5.154 1.00 0.00 C ATOM 1038 O GLY A 67 -6.420 5.809 4.872 1.00 0.00 O ATOM 0 H GLY A 67 -5.413 6.280 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.193 5.775 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.009 7.325 4.563 1.00 0.00 H new ATOM 1042 N PRO A 68 -4.826 4.977 6.229 1.00 0.00 N ATOM 1043 CA PRO A 68 -5.764 4.332 7.153 1.00 0.00 C ATOM 1044 C PRO A 68 -6.552 5.343 7.979 1.00 0.00 C ATOM 1045 O PRO A 68 -6.012 5.969 8.891 1.00 0.00 O ATOM 1046 CB PRO A 68 -4.854 3.497 8.057 1.00 0.00 C ATOM 1047 CG PRO A 68 -3.535 4.187 8.007 1.00 0.00 C ATOM 1048 CD PRO A 68 -3.424 4.769 6.626 1.00 0.00 C ATOM 0 HA PRO A 68 -6.517 3.747 6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.240 3.454 9.076 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.777 2.470 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.474 4.968 8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.722 3.488 8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.864 5.704 6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.910 4.091 5.945 1.00 0.00 H new ATOM 1056 N SER A 69 -7.831 5.498 7.654 1.00 0.00 N ATOM 1057 CA SER A 69 -8.692 6.436 8.364 1.00 0.00 C ATOM 1058 C SER A 69 -8.474 6.341 9.871 1.00 0.00 C ATOM 1059 O SER A 69 -8.393 7.355 10.563 1.00 0.00 O ATOM 1060 CB SER A 69 -10.161 6.165 8.032 1.00 0.00 C ATOM 1061 OG SER A 69 -11.018 7.007 8.783 1.00 0.00 O ATOM 0 H SER A 69 -8.294 4.986 6.903 1.00 0.00 H new ATOM 0 HA SER A 69 -8.433 7.444 8.040 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.332 6.324 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.398 5.122 8.240 1.00 0.00 H new ATOM 0 HG SER A 69 -11.951 6.815 8.551 1.00 0.00 H new ATOM 1067 N SER A 70 -8.380 5.113 10.372 1.00 0.00 N ATOM 1068 CA SER A 70 -8.174 4.883 11.797 1.00 0.00 C ATOM 1069 C SER A 70 -6.949 4.007 12.035 1.00 0.00 C ATOM 1070 O SER A 70 -6.792 2.957 11.413 1.00 0.00 O ATOM 1071 CB SER A 70 -9.412 4.227 12.413 1.00 0.00 C ATOM 1072 OG SER A 70 -9.628 2.936 11.869 1.00 0.00 O ATOM 0 H SER A 70 -8.443 4.263 9.812 1.00 0.00 H new ATOM 0 HA SER A 70 -8.007 5.848 12.275 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.289 4.154 13.494 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.287 4.852 12.233 1.00 0.00 H new ATOM 0 HG SER A 70 -8.771 2.551 11.590 1.00 0.00 H new ATOM 1078 N GLY A 71 -6.081 4.447 12.942 1.00 0.00 N ATOM 1079 CA GLY A 71 -4.880 3.691 13.247 1.00 0.00 C ATOM 1080 C GLY A 71 -5.182 2.372 13.928 1.00 0.00 C ATOM 1081 O GLY A 71 -4.537 2.012 14.913 1.00 0.00 O ATOM 0 H GLY A 71 -6.188 5.313 13.470 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.329 3.503 12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.232 4.288 13.889 1.00 0.00 H new TER 1085 GLY A 71