USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 853 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 36 GLN : amide:sc= -5.9! C(o=-10!,f=-9.6!) USER MOD Set 1.2: A 78 TYR OH : rot 130:sc= -4.46! USER MOD Single : A 1 CYS N :NH3+ -165:sc= -0.0279 (180deg=-0.24) USER MOD Single : A 1 CYS SG : rot -17:sc= 0.121 USER MOD Single : A 3 SER OG : rot -82:sc= 0.069 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.954! USER MOD Single : A 8 THR OG1 : rot -62:sc= 0.363 USER MOD Single : A 10 ASN : amide:sc= -3.61! K(o=-3.6!,f=0.18) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.108 USER MOD Single : A 13 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.2!) USER MOD Single : A 15 THR OG1 : rot 57:sc= -0.636! USER MOD Single : A 17 THR OG1 : rot 90:sc= 0.543 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc=-0.00995 X(o=-0.0099,f=-0.14) USER MOD Single : A 39 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.3) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 47 ASN : amide:sc= -0.893 X(o=-0.89,f=-0.71) USER MOD Single : A 49 TYR OH : rot 122:sc= 0.277 USER MOD Single : A 51 SER OG : rot 97:sc= 0.773 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= -0.224 (180deg=-1.45!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.535 USER MOD Single : A 66 THR OG1 : rot 123:sc= 0.747 USER MOD Single : A 67 THR OG1 : rot -79:sc= 0.13! USER MOD Single : A 68 MET CE :methyl -177:sc= -0.162 (180deg=-0.183) USER MOD Single : A 69 GLN : amide:sc= -0.591 K(o=-0.59,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot 69:sc= 0.332 USER MOD Single : A 73 ASN : amide:sc= -1.28! C(o=-1.3!,f=-2.4!) USER MOD Single : A 74 SER OG : rot -73:sc= -0.438 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 60:sc= -0.0827! USER MOD Single : A 81 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= -0.582 (180deg=-1.03!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= -1.03 (180deg=-1.24) USER MOD Single : A 96 GLN : amide:sc= -0.066 K(o=-0.066,f=-1.8) USER MOD Single : A 100 THR OG1 : rot 61:sc= 0.0695 USER MOD Single : A 101 GLN : amide:sc= -0.889 K(o=-0.89,f=-2.5!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 75.579 11.913 12.245 1.00 0.00 N ATOM 2 CA CYS A 1 75.981 12.739 11.073 1.00 0.00 C ATOM 3 C CYS A 1 77.357 12.295 10.588 1.00 0.00 C ATOM 4 O CYS A 1 77.633 12.297 9.389 1.00 0.00 O ATOM 5 CB CYS A 1 76.024 14.213 11.483 1.00 0.00 C ATOM 6 SG CYS A 1 76.739 15.191 10.139 1.00 0.00 S ATOM 0 H1 CYS A 1 74.560 12.030 12.419 1.00 0.00 H new ATOM 0 H2 CYS A 1 75.785 10.912 12.051 1.00 0.00 H new ATOM 0 H3 CYS A 1 76.111 12.219 13.084 1.00 0.00 H new ATOM 0 HA CYS A 1 75.259 12.611 10.267 1.00 0.00 H new ATOM 0 HB2 CYS A 1 75.019 14.568 11.711 1.00 0.00 H new ATOM 0 HB3 CYS A 1 76.617 14.332 12.390 1.00 0.00 H new ATOM 0 HG CYS A 1 77.375 14.405 9.321 1.00 0.00 H new ATOM 14 N ASP A 2 78.217 11.916 11.528 1.00 0.00 N ATOM 15 CA ASP A 2 79.564 11.475 11.183 1.00 0.00 C ATOM 16 C ASP A 2 79.577 9.982 10.868 1.00 0.00 C ATOM 17 O ASP A 2 80.094 9.562 9.832 1.00 0.00 O ATOM 18 CB ASP A 2 80.518 11.761 12.345 1.00 0.00 C ATOM 19 CG ASP A 2 79.778 12.501 13.456 1.00 0.00 C ATOM 20 OD1 ASP A 2 79.038 11.855 14.179 1.00 0.00 O ATOM 21 OD2 ASP A 2 79.964 13.702 13.566 1.00 0.00 O ATOM 0 H ASP A 2 78.008 11.905 12.526 1.00 0.00 H new ATOM 0 HA ASP A 2 79.890 12.023 10.299 1.00 0.00 H new ATOM 0 HB2 ASP A 2 80.927 10.827 12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 2 81.360 12.359 11.997 1.00 0.00 H new ATOM 26 N SER A 3 79.008 9.187 11.766 1.00 0.00 N ATOM 27 CA SER A 3 78.961 7.741 11.573 1.00 0.00 C ATOM 28 C SER A 3 77.660 7.330 10.892 1.00 0.00 C ATOM 29 O SER A 3 76.652 8.031 10.988 1.00 0.00 O ATOM 30 CB SER A 3 79.076 7.034 12.923 1.00 0.00 C ATOM 31 OG SER A 3 78.457 7.834 13.924 1.00 0.00 O ATOM 0 H SER A 3 78.575 9.515 12.629 1.00 0.00 H new ATOM 0 HA SER A 3 79.796 7.451 10.936 1.00 0.00 H new ATOM 0 HB2 SER A 3 78.599 6.055 12.876 1.00 0.00 H new ATOM 0 HB3 SER A 3 80.124 6.866 13.171 1.00 0.00 H new ATOM 0 HG SER A 3 79.082 8.528 14.221 1.00 0.00 H new ATOM 37 N GLY A 4 77.688 6.193 10.205 1.00 0.00 N ATOM 38 CA GLY A 4 76.498 5.701 9.514 1.00 0.00 C ATOM 39 C GLY A 4 76.428 4.181 9.572 1.00 0.00 C ATOM 40 O GLY A 4 77.387 3.525 9.979 1.00 0.00 O ATOM 0 H GLY A 4 78.512 5.599 10.111 1.00 0.00 H new ATOM 0 HA2 GLY A 4 75.605 6.128 9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 4 76.514 6.029 8.475 1.00 0.00 H new ATOM 44 N THR A 5 75.291 3.617 9.172 1.00 0.00 N ATOM 45 CA THR A 5 75.136 2.167 9.194 1.00 0.00 C ATOM 46 C THR A 5 74.178 1.685 8.114 1.00 0.00 C ATOM 47 O THR A 5 73.866 2.403 7.165 1.00 0.00 O ATOM 48 CB THR A 5 74.641 1.689 10.567 1.00 0.00 C ATOM 49 OG1 THR A 5 73.304 1.223 10.447 1.00 0.00 O ATOM 50 CG2 THR A 5 74.691 2.839 11.575 1.00 0.00 C ATOM 0 H THR A 5 74.478 4.132 8.835 1.00 0.00 H new ATOM 0 HA THR A 5 76.120 1.741 8.997 1.00 0.00 H new ATOM 0 HB THR A 5 75.284 0.882 10.918 1.00 0.00 H new ATOM 0 HG1 THR A 5 72.985 0.915 11.321 1.00 0.00 H new ATOM 0 HG21 THR A 5 74.338 2.488 12.545 1.00 0.00 H new ATOM 0 HG22 THR A 5 75.717 3.196 11.670 1.00 0.00 H new ATOM 0 HG23 THR A 5 74.054 3.653 11.230 1.00 0.00 H new ATOM 58 N GLY A 6 73.743 0.442 8.267 1.00 0.00 N ATOM 59 CA GLY A 6 72.843 -0.185 7.312 1.00 0.00 C ATOM 60 C GLY A 6 73.389 -1.559 6.951 1.00 0.00 C ATOM 61 O GLY A 6 73.132 -2.088 5.870 1.00 0.00 O ATOM 0 H GLY A 6 74.002 -0.156 9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 6 71.844 -0.276 7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 6 72.752 0.432 6.418 1.00 0.00 H new ATOM 65 N LEU A 7 74.159 -2.119 7.881 1.00 0.00 N ATOM 66 CA LEU A 7 74.770 -3.425 7.689 1.00 0.00 C ATOM 67 C LEU A 7 73.901 -4.508 8.325 1.00 0.00 C ATOM 68 O LEU A 7 72.681 -4.484 8.179 1.00 0.00 O ATOM 69 CB LEU A 7 76.174 -3.434 8.307 1.00 0.00 C ATOM 70 CG LEU A 7 77.010 -2.276 7.733 1.00 0.00 C ATOM 71 CD1 LEU A 7 76.958 -2.305 6.204 1.00 0.00 C ATOM 72 CD2 LEU A 7 76.466 -0.932 8.231 1.00 0.00 C ATOM 0 H LEU A 7 74.373 -1.683 8.778 1.00 0.00 H new ATOM 0 HA LEU A 7 74.853 -3.630 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 7 76.104 -3.340 9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 7 76.665 -4.385 8.100 1.00 0.00 H new ATOM 0 HG LEU A 7 78.041 -2.393 8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 7 77.552 -1.483 5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 7 77.361 -3.252 5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 7 75.925 -2.201 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 7 77.066 -0.121 7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 7 75.431 -0.817 7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 7 76.514 -0.901 9.319 1.00 0.00 H new ATOM 84 N THR A 8 74.530 -5.449 9.033 1.00 0.00 N ATOM 85 CA THR A 8 73.787 -6.533 9.686 1.00 0.00 C ATOM 86 C THR A 8 74.726 -7.662 10.115 1.00 0.00 C ATOM 87 O THR A 8 74.324 -8.825 10.184 1.00 0.00 O ATOM 88 CB THR A 8 72.716 -7.088 8.734 1.00 0.00 C ATOM 89 OG1 THR A 8 72.368 -8.409 9.128 1.00 0.00 O ATOM 90 CG2 THR A 8 73.258 -7.111 7.303 1.00 0.00 C ATOM 0 H THR A 8 75.540 -5.484 9.169 1.00 0.00 H new ATOM 0 HA THR A 8 73.307 -6.124 10.575 1.00 0.00 H new ATOM 0 HB THR A 8 71.833 -6.450 8.776 1.00 0.00 H new ATOM 0 HG1 THR A 8 73.154 -8.990 9.056 1.00 0.00 H new ATOM 0 HG21 THR A 8 72.495 -7.505 6.631 1.00 0.00 H new ATOM 0 HG22 THR A 8 73.522 -6.099 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 8 74.143 -7.746 7.259 1.00 0.00 H new ATOM 98 N GLY A 9 75.975 -7.321 10.411 1.00 0.00 N ATOM 99 CA GLY A 9 76.946 -8.324 10.836 1.00 0.00 C ATOM 100 C GLY A 9 76.867 -9.573 9.966 1.00 0.00 C ATOM 101 O GLY A 9 76.521 -10.653 10.446 1.00 0.00 O ATOM 0 H GLY A 9 76.337 -6.369 10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 9 77.951 -7.905 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 9 76.765 -8.591 11.877 1.00 0.00 H new ATOM 105 N ASN A 10 77.200 -9.424 8.688 1.00 0.00 N ATOM 106 CA ASN A 10 77.169 -10.555 7.771 1.00 0.00 C ATOM 107 C ASN A 10 78.568 -10.846 7.236 1.00 0.00 C ATOM 108 O ASN A 10 79.528 -10.157 7.581 1.00 0.00 O ATOM 109 CB ASN A 10 76.214 -10.271 6.610 1.00 0.00 C ATOM 110 CG ASN A 10 75.268 -11.451 6.414 1.00 0.00 C ATOM 111 OD1 ASN A 10 74.056 -11.266 6.317 1.00 0.00 O ATOM 112 ND2 ASN A 10 75.754 -12.661 6.352 1.00 0.00 N ATOM 0 H ASN A 10 77.491 -8.541 8.268 1.00 0.00 H new ATOM 0 HA ASN A 10 76.813 -11.430 8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 10 75.642 -9.365 6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.781 -10.093 5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 10 75.128 -13.456 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 10 76.760 -12.811 6.433 1.00 0.00 H new ATOM 119 N TYR A 11 78.677 -11.874 6.403 1.00 0.00 N ATOM 120 CA TYR A 11 79.967 -12.254 5.838 1.00 0.00 C ATOM 121 C TYR A 11 80.110 -11.745 4.407 1.00 0.00 C ATOM 122 O TYR A 11 80.045 -10.542 4.157 1.00 0.00 O ATOM 123 CB TYR A 11 80.107 -13.777 5.866 1.00 0.00 C ATOM 124 CG TYR A 11 79.825 -14.275 7.261 1.00 0.00 C ATOM 125 CD1 TYR A 11 80.708 -13.970 8.302 1.00 0.00 C ATOM 126 CD2 TYR A 11 78.681 -15.041 7.513 1.00 0.00 C ATOM 127 CE1 TYR A 11 80.448 -14.431 9.599 1.00 0.00 C ATOM 128 CE2 TYR A 11 78.419 -15.501 8.809 1.00 0.00 C ATOM 129 CZ TYR A 11 79.304 -15.197 9.852 1.00 0.00 C ATOM 130 OH TYR A 11 79.047 -15.652 11.129 1.00 0.00 O ATOM 0 H TYR A 11 77.894 -12.456 6.105 1.00 0.00 H new ATOM 0 HA TYR A 11 80.756 -11.801 6.439 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.414 -14.231 5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 11 81.112 -14.068 5.559 1.00 0.00 H new ATOM 0 HD1 TYR A 11 81.590 -13.379 8.106 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.001 -15.277 6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 11 81.130 -14.196 10.403 1.00 0.00 H new ATOM 0 HE2 TYR A 11 77.535 -16.090 9.005 1.00 0.00 H new ATOM 0 HH TYR A 11 78.213 -16.167 11.131 1.00 0.00 H new ATOM 140 N SER A 12 80.310 -12.668 3.470 1.00 0.00 N ATOM 141 CA SER A 12 80.465 -12.296 2.071 1.00 0.00 C ATOM 142 C SER A 12 79.311 -11.408 1.625 1.00 0.00 C ATOM 143 O SER A 12 79.511 -10.441 0.896 1.00 0.00 O ATOM 144 CB SER A 12 80.512 -13.551 1.198 1.00 0.00 C ATOM 145 OG SER A 12 79.251 -13.729 0.564 1.00 0.00 O ATOM 0 H SER A 12 80.368 -13.670 3.654 1.00 0.00 H new ATOM 0 HA SER A 12 81.399 -11.744 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 12 81.299 -13.458 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 12 80.752 -14.423 1.807 1.00 0.00 H new ATOM 0 HG SER A 12 79.278 -14.532 0.002 1.00 0.00 H new ATOM 151 N GLN A 13 78.104 -11.742 2.069 1.00 0.00 N ATOM 152 CA GLN A 13 76.924 -10.967 1.707 1.00 0.00 C ATOM 153 C GLN A 13 77.132 -9.486 2.015 1.00 0.00 C ATOM 154 O GLN A 13 76.978 -8.631 1.141 1.00 0.00 O ATOM 155 CB GLN A 13 75.704 -11.485 2.470 1.00 0.00 C ATOM 156 CG GLN A 13 75.765 -13.012 2.554 1.00 0.00 C ATOM 157 CD GLN A 13 74.345 -13.584 2.656 1.00 0.00 C ATOM 158 OE1 GLN A 13 73.380 -12.823 2.706 1.00 0.00 O ATOM 159 NE2 GLN A 13 74.148 -14.883 2.692 1.00 0.00 N ATOM 0 H GLN A 13 77.918 -12.540 2.677 1.00 0.00 H new ATOM 0 HA GLN A 13 76.757 -11.079 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 13 75.679 -11.056 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 13 74.788 -11.174 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 13 76.266 -13.414 1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 13 76.352 -13.315 3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 13 74.943 -15.521 2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 13 73.200 -15.253 2.761 1.00 0.00 H new ATOM 168 N ASP A 14 77.477 -9.186 3.262 1.00 0.00 N ATOM 169 CA ASP A 14 77.697 -7.802 3.669 1.00 0.00 C ATOM 170 C ASP A 14 79.011 -7.273 3.105 1.00 0.00 C ATOM 171 O ASP A 14 79.116 -6.098 2.750 1.00 0.00 O ATOM 172 CB ASP A 14 77.726 -7.703 5.194 1.00 0.00 C ATOM 173 CG ASP A 14 78.278 -6.346 5.620 1.00 0.00 C ATOM 174 OD1 ASP A 14 77.795 -5.347 5.112 1.00 0.00 O ATOM 175 OD2 ASP A 14 79.173 -6.327 6.447 1.00 0.00 O ATOM 0 H ASP A 14 77.610 -9.875 4.003 1.00 0.00 H new ATOM 0 HA ASP A 14 76.877 -7.200 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 14 76.721 -7.838 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 14 78.343 -8.501 5.607 1.00 0.00 H new ATOM 180 N THR A 15 80.015 -8.139 3.042 1.00 0.00 N ATOM 181 CA THR A 15 81.322 -7.736 2.537 1.00 0.00 C ATOM 182 C THR A 15 81.237 -7.222 1.103 1.00 0.00 C ATOM 183 O THR A 15 81.788 -6.171 0.790 1.00 0.00 O ATOM 184 CB THR A 15 82.291 -8.916 2.586 1.00 0.00 C ATOM 185 OG1 THR A 15 82.144 -9.599 3.822 1.00 0.00 O ATOM 186 CG2 THR A 15 83.727 -8.405 2.447 1.00 0.00 C ATOM 0 H THR A 15 79.951 -9.115 3.331 1.00 0.00 H new ATOM 0 HA THR A 15 81.683 -6.928 3.174 1.00 0.00 H new ATOM 0 HB THR A 15 82.071 -9.601 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 15 81.212 -9.881 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.418 -9.247 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 15 83.837 -7.884 1.496 1.00 0.00 H new ATOM 0 HG23 THR A 15 83.950 -7.719 3.264 1.00 0.00 H new ATOM 194 N LEU A 16 80.560 -7.967 0.232 1.00 0.00 N ATOM 195 CA LEU A 16 80.442 -7.561 -1.167 1.00 0.00 C ATOM 196 C LEU A 16 79.469 -6.400 -1.325 1.00 0.00 C ATOM 197 O LEU A 16 79.666 -5.533 -2.175 1.00 0.00 O ATOM 198 CB LEU A 16 79.992 -8.744 -2.036 1.00 0.00 C ATOM 199 CG LEU A 16 78.612 -9.231 -1.587 1.00 0.00 C ATOM 200 CD1 LEU A 16 77.506 -8.547 -2.402 1.00 0.00 C ATOM 201 CD2 LEU A 16 78.523 -10.745 -1.801 1.00 0.00 C ATOM 0 H LEU A 16 80.091 -8.842 0.465 1.00 0.00 H new ATOM 0 HA LEU A 16 81.426 -7.230 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 16 79.957 -8.444 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 16 80.715 -9.556 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 16 78.478 -8.986 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 16 76.533 -8.906 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.563 -7.468 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 16 77.636 -8.780 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 16 77.543 -11.100 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 16 78.667 -10.972 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 16 79.296 -11.241 -1.215 1.00 0.00 H new ATOM 213 N THR A 17 78.418 -6.379 -0.514 1.00 0.00 N ATOM 214 CA THR A 17 77.437 -5.304 -0.598 1.00 0.00 C ATOM 215 C THR A 17 78.106 -3.958 -0.332 1.00 0.00 C ATOM 216 O THR A 17 78.073 -3.053 -1.171 1.00 0.00 O ATOM 217 CB THR A 17 76.319 -5.531 0.423 1.00 0.00 C ATOM 218 OG1 THR A 17 75.418 -6.511 -0.075 1.00 0.00 O ATOM 219 CG2 THR A 17 75.570 -4.220 0.664 1.00 0.00 C ATOM 0 H THR A 17 78.224 -7.082 0.199 1.00 0.00 H new ATOM 0 HA THR A 17 77.012 -5.300 -1.602 1.00 0.00 H new ATOM 0 HB THR A 17 76.749 -5.877 1.363 1.00 0.00 H new ATOM 0 HG1 THR A 17 75.709 -7.401 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 17 74.775 -4.384 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.263 -3.470 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.138 -3.870 -0.274 1.00 0.00 H new ATOM 227 N VAL A 18 78.716 -3.837 0.842 1.00 0.00 N ATOM 228 CA VAL A 18 79.395 -2.605 1.218 1.00 0.00 C ATOM 229 C VAL A 18 80.496 -2.271 0.217 1.00 0.00 C ATOM 230 O VAL A 18 80.546 -1.162 -0.317 1.00 0.00 O ATOM 231 CB VAL A 18 79.996 -2.752 2.616 1.00 0.00 C ATOM 232 CG1 VAL A 18 80.722 -1.461 3.000 1.00 0.00 C ATOM 233 CG2 VAL A 18 78.877 -3.026 3.621 1.00 0.00 C ATOM 0 H VAL A 18 78.754 -4.574 1.546 1.00 0.00 H new ATOM 0 HA VAL A 18 78.667 -1.794 1.218 1.00 0.00 H new ATOM 0 HB VAL A 18 80.704 -3.580 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.150 -1.567 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 18 81.518 -1.264 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 18 80.016 -0.631 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 18 79.302 -3.131 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 18 78.170 -2.196 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 18 78.360 -3.946 3.348 1.00 0.00 H new ATOM 243 N ILE A 19 81.377 -3.235 -0.035 1.00 0.00 N ATOM 244 CA ILE A 19 82.469 -3.021 -0.977 1.00 0.00 C ATOM 245 C ILE A 19 81.936 -2.565 -2.315 1.00 0.00 C ATOM 246 O ILE A 19 82.526 -1.706 -2.958 1.00 0.00 O ATOM 247 CB ILE A 19 83.280 -4.307 -1.169 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.428 -4.345 -0.157 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.854 -4.354 -2.589 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.641 -3.605 -0.732 1.00 0.00 C ATOM 0 H ILE A 19 81.357 -4.160 0.394 1.00 0.00 H new ATOM 0 HA ILE A 19 83.117 -2.247 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 19 82.627 -5.166 -1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 19 84.117 -3.882 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 19 84.693 -5.378 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.429 -5.271 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 19 83.039 -4.332 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 19 84.503 -3.493 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.459 -3.632 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.956 -4.087 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.372 -2.569 -0.937 1.00 0.00 H new ATOM 262 N ALA A 20 80.833 -3.149 -2.743 1.00 0.00 N ATOM 263 CA ALA A 20 80.270 -2.791 -4.028 1.00 0.00 C ATOM 264 C ALA A 20 79.991 -1.297 -4.096 1.00 0.00 C ATOM 265 O ALA A 20 80.369 -0.633 -5.061 1.00 0.00 O ATOM 266 CB ALA A 20 78.982 -3.575 -4.284 1.00 0.00 C ATOM 0 H ALA A 20 80.317 -3.862 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 20 80.997 -3.045 -4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.572 -3.294 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 20 79.199 -4.643 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.256 -3.347 -3.503 1.00 0.00 H new ATOM 272 N THR A 21 79.339 -0.768 -3.070 1.00 0.00 N ATOM 273 CA THR A 21 79.037 0.657 -3.046 1.00 0.00 C ATOM 274 C THR A 21 80.330 1.467 -3.021 1.00 0.00 C ATOM 275 O THR A 21 80.380 2.591 -3.521 1.00 0.00 O ATOM 276 CB THR A 21 78.190 0.994 -1.817 1.00 0.00 C ATOM 277 OG1 THR A 21 76.873 0.497 -2.003 1.00 0.00 O ATOM 278 CG2 THR A 21 78.141 2.511 -1.624 1.00 0.00 C ATOM 0 H THR A 21 79.014 -1.292 -2.257 1.00 0.00 H new ATOM 0 HA THR A 21 78.476 0.911 -3.945 1.00 0.00 H new ATOM 0 HB THR A 21 78.634 0.534 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 21 76.329 0.710 -1.216 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.537 2.747 -0.748 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.152 2.892 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.699 2.976 -2.505 1.00 0.00 H new ATOM 286 N LEU A 22 81.374 0.886 -2.438 1.00 0.00 N ATOM 287 CA LEU A 22 82.661 1.564 -2.356 1.00 0.00 C ATOM 288 C LEU A 22 83.342 1.598 -3.721 1.00 0.00 C ATOM 289 O LEU A 22 83.766 2.659 -4.187 1.00 0.00 O ATOM 290 CB LEU A 22 83.557 0.845 -1.352 1.00 0.00 C ATOM 291 CG LEU A 22 83.049 1.109 0.068 1.00 0.00 C ATOM 292 CD1 LEU A 22 83.418 -0.065 0.977 1.00 0.00 C ATOM 293 CD2 LEU A 22 83.690 2.387 0.609 1.00 0.00 C ATOM 0 H LEU A 22 81.354 -0.044 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 22 82.492 2.590 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.562 -0.226 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 22 84.585 1.193 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 22 81.965 1.222 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.054 0.128 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 22 82.962 -0.978 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 22 84.501 -0.182 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 22 83.329 2.575 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 22 84.774 2.271 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 22 83.425 3.227 -0.033 1.00 0.00 H new ATOM 305 N ARG A 23 83.426 0.441 -4.373 1.00 0.00 N ATOM 306 CA ARG A 23 84.038 0.380 -5.692 1.00 0.00 C ATOM 307 C ARG A 23 83.292 1.334 -6.611 1.00 0.00 C ATOM 308 O ARG A 23 83.867 1.931 -7.527 1.00 0.00 O ATOM 309 CB ARG A 23 83.976 -1.045 -6.268 1.00 0.00 C ATOM 310 CG ARG A 23 84.165 -2.092 -5.144 1.00 0.00 C ATOM 311 CD ARG A 23 85.134 -3.220 -5.558 1.00 0.00 C ATOM 312 NE ARG A 23 84.409 -4.471 -5.757 1.00 0.00 N ATOM 313 CZ ARG A 23 83.454 -4.582 -6.675 1.00 0.00 C ATOM 314 NH1 ARG A 23 83.167 -3.570 -7.446 1.00 0.00 N ATOM 315 NH2 ARG A 23 82.809 -5.709 -6.811 1.00 0.00 N ATOM 0 H ARG A 23 83.084 -0.451 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 23 85.087 0.663 -5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 23 83.017 -1.202 -6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 23 84.750 -1.172 -7.025 1.00 0.00 H new ATOM 0 HG2 ARG A 23 84.545 -1.598 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 23 83.198 -2.523 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 23 85.652 -2.943 -6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.896 -3.353 -4.790 1.00 0.00 H new ATOM 0 HE ARG A 23 84.640 -5.279 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 23 83.676 -2.692 -7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 23 82.434 -3.657 -8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 23 83.038 -6.503 -6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 23 82.076 -5.795 -7.515 1.00 0.00 H new ATOM 329 N GLU A 24 82.000 1.485 -6.339 1.00 0.00 N ATOM 330 CA GLU A 24 81.171 2.376 -7.128 1.00 0.00 C ATOM 331 C GLU A 24 81.524 3.819 -6.819 1.00 0.00 C ATOM 332 O GLU A 24 81.434 4.691 -7.673 1.00 0.00 O ATOM 333 CB GLU A 24 79.692 2.127 -6.820 1.00 0.00 C ATOM 334 CG GLU A 24 78.983 1.625 -8.079 1.00 0.00 C ATOM 335 CD GLU A 24 77.568 1.174 -7.735 1.00 0.00 C ATOM 336 OE1 GLU A 24 77.384 0.635 -6.656 1.00 0.00 O ATOM 337 OE2 GLU A 24 76.687 1.374 -8.555 1.00 0.00 O ATOM 0 H GLU A 24 81.511 1.004 -5.584 1.00 0.00 H new ATOM 0 HA GLU A 24 81.351 2.182 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.595 1.394 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.224 3.046 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.949 2.417 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 24 79.542 0.797 -8.515 1.00 0.00 H new ATOM 344 N ALA A 25 81.929 4.052 -5.590 1.00 0.00 N ATOM 345 CA ALA A 25 82.296 5.396 -5.156 1.00 0.00 C ATOM 346 C ALA A 25 83.496 5.923 -5.941 1.00 0.00 C ATOM 347 O ALA A 25 83.508 7.082 -6.357 1.00 0.00 O ATOM 348 CB ALA A 25 82.620 5.394 -3.662 1.00 0.00 C ATOM 0 H ALA A 25 82.015 3.335 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 25 81.447 6.053 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.893 6.401 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.746 5.063 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.452 4.717 -3.471 1.00 0.00 H new ATOM 354 N ILE A 26 84.504 5.080 -6.139 1.00 0.00 N ATOM 355 CA ILE A 26 85.694 5.504 -6.875 1.00 0.00 C ATOM 356 C ILE A 26 85.391 5.631 -8.361 1.00 0.00 C ATOM 357 O ILE A 26 86.008 6.434 -9.060 1.00 0.00 O ATOM 358 CB ILE A 26 86.839 4.503 -6.680 1.00 0.00 C ATOM 359 CG1 ILE A 26 88.191 5.242 -6.728 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.793 3.449 -7.793 1.00 0.00 C ATOM 361 CD1 ILE A 26 89.259 4.334 -7.344 1.00 0.00 C ATOM 0 H ILE A 26 84.524 4.116 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 26 85.995 6.476 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 26 86.729 4.015 -5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 26 88.095 6.156 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.489 5.539 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.607 2.738 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.840 2.922 -7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.899 3.938 -8.761 1.00 0.00 H new ATOM 0 HD11 ILE A 26 90.212 4.862 -7.375 1.00 0.00 H new ATOM 0 HD12 ILE A 26 89.363 3.433 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.963 4.060 -8.357 1.00 0.00 H new ATOM 373 N ASP A 27 84.454 4.824 -8.850 1.00 0.00 N ATOM 374 CA ASP A 27 84.115 4.869 -10.271 1.00 0.00 C ATOM 375 C ASP A 27 82.651 4.523 -10.518 1.00 0.00 C ATOM 376 O ASP A 27 82.346 3.600 -11.271 1.00 0.00 O ATOM 377 CB ASP A 27 84.999 3.890 -11.043 1.00 0.00 C ATOM 378 CG ASP A 27 84.891 4.161 -12.541 1.00 0.00 C ATOM 379 OD1 ASP A 27 83.887 3.783 -13.121 1.00 0.00 O ATOM 380 OD2 ASP A 27 85.814 4.745 -13.085 1.00 0.00 O ATOM 0 H ASP A 27 83.926 4.146 -8.300 1.00 0.00 H new ATOM 0 HA ASP A 27 84.285 5.888 -10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 27 86.035 3.990 -10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 27 84.696 2.865 -10.827 1.00 0.00 H new ATOM 385 N LEU A 28 81.748 5.271 -9.894 1.00 0.00 N ATOM 386 CA LEU A 28 80.323 5.017 -10.082 1.00 0.00 C ATOM 387 C LEU A 28 79.898 5.405 -11.496 1.00 0.00 C ATOM 388 O LEU A 28 80.524 6.260 -12.123 1.00 0.00 O ATOM 389 CB LEU A 28 79.476 5.810 -9.081 1.00 0.00 C ATOM 390 CG LEU A 28 80.184 7.109 -8.703 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.507 7.909 -9.968 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.266 7.929 -7.801 1.00 0.00 C ATOM 0 H LEU A 28 81.970 6.043 -9.266 1.00 0.00 H new ATOM 0 HA LEU A 28 80.159 3.952 -9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.501 6.032 -9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.299 5.211 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 28 81.112 6.882 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 28 81.012 8.835 -9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 28 81.156 7.320 -10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.583 8.143 -10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.763 8.859 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.341 8.155 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.037 7.359 -6.900 1.00 0.00 H new ATOM 404 N PRO A 29 78.846 4.815 -12.006 1.00 0.00 N ATOM 405 CA PRO A 29 78.341 5.142 -13.368 1.00 0.00 C ATOM 406 C PRO A 29 78.199 6.649 -13.556 1.00 0.00 C ATOM 407 O PRO A 29 78.103 7.397 -12.582 1.00 0.00 O ATOM 408 CB PRO A 29 76.971 4.466 -13.441 1.00 0.00 C ATOM 409 CG PRO A 29 76.950 3.425 -12.368 1.00 0.00 C ATOM 410 CD PRO A 29 78.035 3.780 -11.347 1.00 0.00 C ATOM 0 HA PRO A 29 79.022 4.800 -14.147 1.00 0.00 H new ATOM 0 HB2 PRO A 29 76.172 5.192 -13.292 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.813 4.016 -14.421 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.972 3.391 -11.889 1.00 0.00 H new ATOM 0 HG3 PRO A 29 77.133 2.437 -12.791 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.599 4.150 -10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 29 78.638 2.909 -11.091 1.00 0.00 H new ATOM 418 N GLN A 30 78.179 7.092 -14.806 1.00 0.00 N ATOM 419 CA GLN A 30 78.040 8.515 -15.090 1.00 0.00 C ATOM 420 C GLN A 30 76.650 8.999 -14.692 1.00 0.00 C ATOM 421 O GLN A 30 76.306 10.163 -14.895 1.00 0.00 O ATOM 422 CB GLN A 30 78.277 8.781 -16.576 1.00 0.00 C ATOM 423 CG GLN A 30 79.730 9.212 -16.785 1.00 0.00 C ATOM 424 CD GLN A 30 80.123 9.030 -18.248 1.00 0.00 C ATOM 425 OE1 GLN A 30 80.080 9.982 -19.027 1.00 0.00 O ATOM 426 NE2 GLN A 30 80.504 7.855 -18.669 1.00 0.00 N ATOM 0 H GLN A 30 78.256 6.496 -15.630 1.00 0.00 H new ATOM 0 HA GLN A 30 78.784 9.060 -14.509 1.00 0.00 H new ATOM 0 HB2 GLN A 30 78.064 7.883 -17.157 1.00 0.00 H new ATOM 0 HB3 GLN A 30 77.600 9.558 -16.931 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.854 10.255 -16.494 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.388 8.622 -16.147 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.539 7.068 -18.021 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.767 7.724 -19.646 1.00 0.00 H new ATOM 435 N ASP A 31 75.859 8.096 -14.122 1.00 0.00 N ATOM 436 CA ASP A 31 74.509 8.439 -13.695 1.00 0.00 C ATOM 437 C ASP A 31 74.524 8.967 -12.264 1.00 0.00 C ATOM 438 O ASP A 31 73.474 9.254 -11.689 1.00 0.00 O ATOM 439 CB ASP A 31 73.605 7.207 -13.778 1.00 0.00 C ATOM 440 CG ASP A 31 72.839 7.211 -15.096 1.00 0.00 C ATOM 441 OD1 ASP A 31 73.351 6.662 -16.058 1.00 0.00 O ATOM 442 OD2 ASP A 31 71.751 7.763 -15.124 1.00 0.00 O ATOM 0 H ASP A 31 76.128 7.128 -13.946 1.00 0.00 H new ATOM 0 HA ASP A 31 74.122 9.215 -14.355 1.00 0.00 H new ATOM 0 HB2 ASP A 31 74.204 6.300 -13.699 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.906 7.201 -12.942 1.00 0.00 H new ATOM 447 N ALA A 32 75.719 9.096 -11.695 1.00 0.00 N ATOM 448 CA ALA A 32 75.854 9.595 -10.333 1.00 0.00 C ATOM 449 C ALA A 32 77.005 10.591 -10.242 1.00 0.00 C ATOM 450 O ALA A 32 78.053 10.294 -9.669 1.00 0.00 O ATOM 451 CB ALA A 32 76.104 8.436 -9.366 1.00 0.00 C ATOM 0 H ALA A 32 76.600 8.864 -12.153 1.00 0.00 H new ATOM 0 HA ALA A 32 74.926 10.097 -10.060 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.203 8.823 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.267 7.740 -9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.021 7.918 -9.648 1.00 0.00 H new ATOM 457 N PRO A 33 76.821 11.760 -10.792 1.00 0.00 N ATOM 458 CA PRO A 33 77.858 12.832 -10.773 1.00 0.00 C ATOM 459 C PRO A 33 78.168 13.298 -9.352 1.00 0.00 C ATOM 460 O PRO A 33 78.610 14.427 -9.140 1.00 0.00 O ATOM 461 CB PRO A 33 77.242 13.973 -11.596 1.00 0.00 C ATOM 462 CG PRO A 33 76.072 13.382 -12.316 1.00 0.00 C ATOM 463 CD PRO A 33 75.607 12.186 -11.492 1.00 0.00 C ATOM 0 HA PRO A 33 78.807 12.482 -11.179 1.00 0.00 H new ATOM 0 HB2 PRO A 33 76.928 14.793 -10.951 1.00 0.00 H new ATOM 0 HB3 PRO A 33 77.967 14.381 -12.300 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.272 14.115 -12.420 1.00 0.00 H new ATOM 0 HG3 PRO A 33 76.353 13.072 -13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.817 12.463 -10.794 1.00 0.00 H new ATOM 0 HD3 PRO A 33 75.209 11.393 -12.125 1.00 0.00 H new ATOM 471 N ASN A 34 77.925 12.423 -8.381 1.00 0.00 N ATOM 472 CA ASN A 34 78.173 12.750 -6.984 1.00 0.00 C ATOM 473 C ASN A 34 79.122 11.735 -6.353 1.00 0.00 C ATOM 474 O ASN A 34 78.806 11.129 -5.328 1.00 0.00 O ATOM 475 CB ASN A 34 76.851 12.764 -6.215 1.00 0.00 C ATOM 476 CG ASN A 34 75.720 13.220 -7.131 1.00 0.00 C ATOM 477 OD1 ASN A 34 75.749 14.340 -7.641 1.00 0.00 O ATOM 478 ND2 ASN A 34 74.722 12.415 -7.371 1.00 0.00 N ATOM 0 H ASN A 34 77.557 11.484 -8.537 1.00 0.00 H new ATOM 0 HA ASN A 34 78.635 13.736 -6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 34 76.636 11.769 -5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 34 76.927 13.432 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 34 73.962 12.713 -7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 34 74.701 11.488 -6.947 1.00 0.00 H new ATOM 485 N ARG A 35 80.285 11.555 -6.971 1.00 0.00 N ATOM 486 CA ARG A 35 81.272 10.612 -6.457 1.00 0.00 C ATOM 487 C ARG A 35 81.572 10.910 -4.992 1.00 0.00 C ATOM 488 O ARG A 35 81.906 10.010 -4.220 1.00 0.00 O ATOM 489 CB ARG A 35 82.567 10.693 -7.275 1.00 0.00 C ATOM 490 CG ARG A 35 82.601 11.996 -8.079 1.00 0.00 C ATOM 491 CD ARG A 35 81.807 11.822 -9.377 1.00 0.00 C ATOM 492 NE ARG A 35 81.303 13.112 -9.835 1.00 0.00 N ATOM 493 CZ ARG A 35 82.091 13.968 -10.476 1.00 0.00 C ATOM 494 NH1 ARG A 35 83.339 13.661 -10.705 1.00 0.00 N ATOM 495 NH2 ARG A 35 81.618 15.118 -10.876 1.00 0.00 N ATOM 0 H ARG A 35 80.566 12.045 -7.821 1.00 0.00 H new ATOM 0 HA ARG A 35 80.862 9.606 -6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.430 10.644 -6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.635 9.839 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 35 82.179 12.810 -7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 35 83.632 12.268 -8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.442 11.378 -10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 35 80.976 11.135 -9.215 1.00 0.00 H new ATOM 0 HE ARG A 35 80.329 13.361 -9.660 1.00 0.00 H new ATOM 0 HH11 ARG A 35 83.709 12.764 -10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 35 83.944 14.318 -11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.643 15.359 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 35 82.223 15.775 -11.368 1.00 0.00 H new ATOM 509 N GLN A 36 81.447 12.179 -4.617 1.00 0.00 N ATOM 510 CA GLN A 36 81.703 12.591 -3.242 1.00 0.00 C ATOM 511 C GLN A 36 80.536 12.199 -2.337 1.00 0.00 C ATOM 512 O GLN A 36 80.736 11.669 -1.245 1.00 0.00 O ATOM 513 CB GLN A 36 81.908 14.107 -3.181 1.00 0.00 C ATOM 514 CG GLN A 36 83.238 14.470 -3.843 1.00 0.00 C ATOM 515 CD GLN A 36 84.378 14.293 -2.848 1.00 0.00 C ATOM 516 OE1 GLN A 36 84.146 13.926 -1.695 1.00 0.00 O ATOM 517 NE2 GLN A 36 85.604 14.533 -3.223 1.00 0.00 N ATOM 0 H GLN A 36 81.171 12.936 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 36 82.604 12.086 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 36 81.087 14.616 -3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 36 81.902 14.444 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 36 83.404 13.838 -4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 36 83.209 15.501 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 36 85.795 14.837 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 36 86.372 14.417 -2.561 1.00 0.00 H new ATOM 526 N GLU A 37 79.319 12.469 -2.800 1.00 0.00 N ATOM 527 CA GLU A 37 78.125 12.147 -2.024 1.00 0.00 C ATOM 528 C GLU A 37 77.999 10.641 -1.824 1.00 0.00 C ATOM 529 O GLU A 37 77.941 10.159 -0.690 1.00 0.00 O ATOM 530 CB GLU A 37 76.884 12.676 -2.743 1.00 0.00 C ATOM 531 CG GLU A 37 75.689 12.663 -1.786 1.00 0.00 C ATOM 532 CD GLU A 37 75.887 13.699 -0.685 1.00 0.00 C ATOM 533 OE1 GLU A 37 76.511 13.368 0.309 1.00 0.00 O ATOM 534 OE2 GLU A 37 75.411 14.809 -0.852 1.00 0.00 O ATOM 0 H GLU A 37 79.134 12.907 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 37 78.211 12.620 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.064 13.689 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.669 12.062 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 37 74.772 12.875 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.576 11.672 -1.347 1.00 0.00 H new ATOM 541 N VAL A 38 77.962 9.897 -2.926 1.00 0.00 N ATOM 542 CA VAL A 38 77.849 8.448 -2.836 1.00 0.00 C ATOM 543 C VAL A 38 78.932 7.909 -1.913 1.00 0.00 C ATOM 544 O VAL A 38 78.702 6.980 -1.140 1.00 0.00 O ATOM 545 CB VAL A 38 77.988 7.822 -4.222 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.233 6.319 -4.083 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.702 8.056 -5.018 1.00 0.00 C ATOM 0 H VAL A 38 78.008 10.267 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 38 76.870 8.191 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 38 78.829 8.280 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.332 5.873 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 38 79.149 6.150 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.393 5.860 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.800 7.610 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 38 75.862 7.598 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.526 9.127 -5.119 1.00 0.00 H new ATOM 557 N GLN A 39 80.112 8.514 -1.994 1.00 0.00 N ATOM 558 CA GLN A 39 81.227 8.104 -1.153 1.00 0.00 C ATOM 559 C GLN A 39 80.901 8.378 0.311 1.00 0.00 C ATOM 560 O GLN A 39 81.279 7.607 1.194 1.00 0.00 O ATOM 561 CB GLN A 39 82.493 8.866 -1.551 1.00 0.00 C ATOM 562 CG GLN A 39 83.589 8.611 -0.513 1.00 0.00 C ATOM 563 CD GLN A 39 83.686 9.798 0.441 1.00 0.00 C ATOM 564 OE1 GLN A 39 83.984 10.914 0.018 1.00 0.00 O ATOM 565 NE2 GLN A 39 83.452 9.621 1.712 1.00 0.00 N ATOM 0 H GLN A 39 80.319 9.285 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 39 81.397 7.036 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.829 8.545 -2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.282 9.933 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.369 7.701 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.545 8.455 -1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 39 83.205 8.695 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 39 83.516 10.409 2.357 1.00 0.00 H new ATOM 574 N ASP A 40 80.189 9.474 0.559 1.00 0.00 N ATOM 575 CA ASP A 40 79.808 9.833 1.920 1.00 0.00 C ATOM 576 C ASP A 40 79.014 8.699 2.557 1.00 0.00 C ATOM 577 O ASP A 40 79.332 8.244 3.657 1.00 0.00 O ATOM 578 CB ASP A 40 78.963 11.107 1.910 1.00 0.00 C ATOM 579 CG ASP A 40 79.471 12.079 2.970 1.00 0.00 C ATOM 580 OD1 ASP A 40 79.508 11.695 4.127 1.00 0.00 O ATOM 581 OD2 ASP A 40 79.814 13.193 2.609 1.00 0.00 O ATOM 0 H ASP A 40 79.867 10.123 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 40 80.713 10.008 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.006 11.574 0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.918 10.862 2.101 1.00 0.00 H new ATOM 586 N THR A 41 77.984 8.239 1.853 1.00 0.00 N ATOM 587 CA THR A 41 77.160 7.149 2.358 1.00 0.00 C ATOM 588 C THR A 41 78.027 5.927 2.639 1.00 0.00 C ATOM 589 O THR A 41 77.881 5.270 3.671 1.00 0.00 O ATOM 590 CB THR A 41 76.078 6.788 1.337 1.00 0.00 C ATOM 591 OG1 THR A 41 75.026 7.741 1.405 1.00 0.00 O ATOM 592 CG2 THR A 41 75.529 5.395 1.648 1.00 0.00 C ATOM 0 H THR A 41 77.703 8.600 0.941 1.00 0.00 H new ATOM 0 HA THR A 41 76.683 7.472 3.283 1.00 0.00 H new ATOM 0 HB THR A 41 76.506 6.793 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.334 7.511 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.758 5.137 0.922 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.337 4.665 1.595 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.100 5.388 2.650 1.00 0.00 H new ATOM 600 N ALA A 42 78.938 5.638 1.715 1.00 0.00 N ATOM 601 CA ALA A 42 79.835 4.501 1.872 1.00 0.00 C ATOM 602 C ALA A 42 80.604 4.619 3.182 1.00 0.00 C ATOM 603 O ALA A 42 80.708 3.658 3.944 1.00 0.00 O ATOM 604 CB ALA A 42 80.819 4.446 0.702 1.00 0.00 C ATOM 0 H ALA A 42 79.073 6.172 0.856 1.00 0.00 H new ATOM 0 HA ALA A 42 79.243 3.586 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.486 3.593 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.268 4.341 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.405 5.364 0.676 1.00 0.00 H new ATOM 610 N ARG A 43 81.136 5.810 3.441 1.00 0.00 N ATOM 611 CA ARG A 43 81.886 6.048 4.667 1.00 0.00 C ATOM 612 C ARG A 43 81.028 5.708 5.880 1.00 0.00 C ATOM 613 O ARG A 43 81.520 5.176 6.872 1.00 0.00 O ATOM 614 CB ARG A 43 82.322 7.513 4.739 1.00 0.00 C ATOM 615 CG ARG A 43 83.257 7.710 5.937 1.00 0.00 C ATOM 616 CD ARG A 43 84.593 8.280 5.454 1.00 0.00 C ATOM 617 NE ARG A 43 85.409 8.682 6.594 1.00 0.00 N ATOM 618 CZ ARG A 43 85.308 9.900 7.117 1.00 0.00 C ATOM 619 NH1 ARG A 43 84.468 10.760 6.612 1.00 0.00 N ATOM 620 NH2 ARG A 43 86.051 10.235 8.137 1.00 0.00 N ATOM 0 H ARG A 43 81.062 6.618 2.823 1.00 0.00 H new ATOM 0 HA ARG A 43 82.771 5.411 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 43 82.829 7.798 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 43 81.449 8.159 4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 43 82.801 8.386 6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.418 6.760 6.446 1.00 0.00 H new ATOM 0 HD2 ARG A 43 85.123 7.533 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 43 84.418 9.136 4.803 1.00 0.00 H new ATOM 0 HE ARG A 43 86.069 8.017 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 43 83.888 10.498 5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 43 84.391 11.694 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 43 86.708 9.562 8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 43 85.974 11.169 8.539 1.00 0.00 H new ATOM 634 N GLY A 44 79.737 6.015 5.786 1.00 0.00 N ATOM 635 CA GLY A 44 78.815 5.732 6.880 1.00 0.00 C ATOM 636 C GLY A 44 78.800 4.239 7.194 1.00 0.00 C ATOM 637 O GLY A 44 78.966 3.836 8.344 1.00 0.00 O ATOM 0 H GLY A 44 79.309 6.456 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 44 79.110 6.293 7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.812 6.063 6.613 1.00 0.00 H new ATOM 641 N GLN A 45 78.608 3.425 6.162 1.00 0.00 N ATOM 642 CA GLN A 45 78.582 1.978 6.341 1.00 0.00 C ATOM 643 C GLN A 45 79.880 1.505 6.982 1.00 0.00 C ATOM 644 O GLN A 45 79.871 0.603 7.814 1.00 0.00 O ATOM 645 CB GLN A 45 78.398 1.285 4.989 1.00 0.00 C ATOM 646 CG GLN A 45 76.909 1.223 4.644 1.00 0.00 C ATOM 647 CD GLN A 45 76.732 0.891 3.167 1.00 0.00 C ATOM 648 OE1 GLN A 45 77.226 1.615 2.302 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.052 -0.169 2.823 1.00 0.00 N ATOM 0 H GLN A 45 78.469 3.738 5.201 1.00 0.00 H new ATOM 0 HA GLN A 45 77.747 1.723 6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 45 78.939 1.828 4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.816 0.279 5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.416 0.468 5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 45 76.434 2.178 4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 45 75.643 -0.768 3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 45 75.929 -0.398 1.837 1.00 0.00 H new ATOM 658 N ILE A 46 80.992 2.125 6.597 1.00 0.00 N ATOM 659 CA ILE A 46 82.290 1.757 7.154 1.00 0.00 C ATOM 660 C ILE A 46 82.379 2.175 8.614 1.00 0.00 C ATOM 661 O ILE A 46 82.908 1.440 9.443 1.00 0.00 O ATOM 662 CB ILE A 46 83.412 2.420 6.357 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.467 1.812 4.952 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.748 2.189 7.063 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.293 2.717 4.037 1.00 0.00 C ATOM 0 H ILE A 46 81.021 2.877 5.909 1.00 0.00 H new ATOM 0 HA ILE A 46 82.399 0.674 7.090 1.00 0.00 H new ATOM 0 HB ILE A 46 83.221 3.491 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 46 83.909 0.816 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.459 1.697 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.547 2.663 6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.710 2.621 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.940 1.119 7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.332 2.285 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.832 3.703 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.304 2.809 4.433 1.00 0.00 H new ATOM 677 N ASN A 47 81.849 3.349 8.931 1.00 0.00 N ATOM 678 CA ASN A 47 81.876 3.815 10.306 1.00 0.00 C ATOM 679 C ASN A 47 81.274 2.747 11.204 1.00 0.00 C ATOM 680 O ASN A 47 81.816 2.421 12.259 1.00 0.00 O ATOM 681 CB ASN A 47 81.086 5.119 10.442 1.00 0.00 C ATOM 682 CG ASN A 47 81.971 6.305 10.081 1.00 0.00 C ATOM 683 OD1 ASN A 47 82.852 6.683 10.854 1.00 0.00 O ATOM 684 ND2 ASN A 47 81.789 6.920 8.944 1.00 0.00 N ATOM 0 H ASN A 47 81.404 3.983 8.268 1.00 0.00 H new ATOM 0 HA ASN A 47 82.908 4.005 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 47 80.213 5.094 9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 47 80.719 5.226 11.463 1.00 0.00 H new ATOM 0 HD21 ASN A 47 82.377 7.715 8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 47 81.059 6.605 8.305 1.00 0.00 H new ATOM 691 N ASP A 48 80.153 2.197 10.760 1.00 0.00 N ATOM 692 CA ASP A 48 79.470 1.150 11.507 1.00 0.00 C ATOM 693 C ASP A 48 80.236 -0.167 11.407 1.00 0.00 C ATOM 694 O ASP A 48 80.487 -0.830 12.412 1.00 0.00 O ATOM 695 CB ASP A 48 78.065 0.969 10.946 1.00 0.00 C ATOM 696 CG ASP A 48 77.635 -0.490 11.039 1.00 0.00 C ATOM 697 OD1 ASP A 48 78.220 -1.305 10.348 1.00 0.00 O ATOM 698 OD2 ASP A 48 76.718 -0.767 11.793 1.00 0.00 O ATOM 0 H ASP A 48 79.697 2.458 9.886 1.00 0.00 H new ATOM 0 HA ASP A 48 79.416 1.441 12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.364 1.596 11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.037 1.297 9.907 1.00 0.00 H new ATOM 703 N TYR A 49 80.604 -0.540 10.184 1.00 0.00 N ATOM 704 CA TYR A 49 81.339 -1.778 9.966 1.00 0.00 C ATOM 705 C TYR A 49 82.505 -1.855 10.939 1.00 0.00 C ATOM 706 O TYR A 49 82.635 -2.814 11.701 1.00 0.00 O ATOM 707 CB TYR A 49 81.876 -1.816 8.529 1.00 0.00 C ATOM 708 CG TYR A 49 81.880 -3.233 8.002 1.00 0.00 C ATOM 709 CD1 TYR A 49 82.407 -4.273 8.779 1.00 0.00 C ATOM 710 CD2 TYR A 49 81.356 -3.507 6.730 1.00 0.00 C ATOM 711 CE1 TYR A 49 82.410 -5.582 8.287 1.00 0.00 C ATOM 712 CE2 TYR A 49 81.359 -4.818 6.239 1.00 0.00 C ATOM 713 CZ TYR A 49 81.885 -5.856 7.018 1.00 0.00 C ATOM 714 OH TYR A 49 81.888 -7.148 6.532 1.00 0.00 O ATOM 0 H TYR A 49 80.407 -0.007 9.337 1.00 0.00 H new ATOM 0 HA TYR A 49 80.671 -2.624 10.126 1.00 0.00 H new ATOM 0 HB2 TYR A 49 81.260 -1.185 7.888 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.887 -1.409 8.501 1.00 0.00 H new ATOM 0 HD1 TYR A 49 82.811 -4.064 9.758 1.00 0.00 H new ATOM 0 HD2 TYR A 49 80.950 -2.706 6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 49 82.818 -6.383 8.886 1.00 0.00 H new ATOM 0 HE2 TYR A 49 80.956 -5.029 5.260 1.00 0.00 H new ATOM 0 HH TYR A 49 80.971 -7.418 6.316 1.00 0.00 H new ATOM 724 N ILE A 50 83.347 -0.834 10.909 1.00 0.00 N ATOM 725 CA ILE A 50 84.501 -0.776 11.791 1.00 0.00 C ATOM 726 C ILE A 50 84.084 -0.405 13.213 1.00 0.00 C ATOM 727 O ILE A 50 84.794 -0.706 14.172 1.00 0.00 O ATOM 728 CB ILE A 50 85.511 0.248 11.252 1.00 0.00 C ATOM 729 CG1 ILE A 50 86.549 -0.467 10.383 1.00 0.00 C ATOM 730 CG2 ILE A 50 86.227 0.950 12.410 1.00 0.00 C ATOM 731 CD1 ILE A 50 85.866 -1.074 9.155 1.00 0.00 C ATOM 0 H ILE A 50 83.253 -0.034 10.283 1.00 0.00 H new ATOM 0 HA ILE A 50 84.965 -1.762 11.821 1.00 0.00 H new ATOM 0 HB ILE A 50 84.975 0.990 10.660 1.00 0.00 H new ATOM 0 HG12 ILE A 50 87.322 0.236 10.071 1.00 0.00 H new ATOM 0 HG13 ILE A 50 87.043 -1.249 10.960 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.940 1.673 12.013 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.495 1.466 13.031 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.757 0.211 13.012 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.609 -1.582 8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.110 -1.790 9.476 1.00 0.00 H new ATOM 0 HD13 ILE A 50 85.393 -0.283 8.574 1.00 0.00 H new ATOM 743 N SER A 51 82.942 0.272 13.345 1.00 0.00 N ATOM 744 CA SER A 51 82.483 0.696 14.669 1.00 0.00 C ATOM 745 C SER A 51 81.073 0.200 14.999 1.00 0.00 C ATOM 746 O SER A 51 80.220 0.985 15.414 1.00 0.00 O ATOM 747 CB SER A 51 82.517 2.224 14.761 1.00 0.00 C ATOM 748 OG SER A 51 83.474 2.729 13.839 1.00 0.00 O ATOM 0 H SER A 51 82.330 0.534 12.572 1.00 0.00 H new ATOM 0 HA SER A 51 83.161 0.251 15.397 1.00 0.00 H new ATOM 0 HB2 SER A 51 81.532 2.635 14.542 1.00 0.00 H new ATOM 0 HB3 SER A 51 82.773 2.533 15.774 1.00 0.00 H new ATOM 0 HG SER A 51 83.021 3.004 13.015 1.00 0.00 H new ATOM 754 N ARG A 52 80.840 -1.099 14.849 1.00 0.00 N ATOM 755 CA ARG A 52 79.533 -1.674 15.177 1.00 0.00 C ATOM 756 C ARG A 52 79.372 -3.070 14.593 1.00 0.00 C ATOM 757 O ARG A 52 78.948 -3.992 15.289 1.00 0.00 O ATOM 758 CB ARG A 52 78.397 -0.787 14.657 1.00 0.00 C ATOM 759 CG ARG A 52 77.147 -1.645 14.425 1.00 0.00 C ATOM 760 CD ARG A 52 75.914 -0.742 14.355 1.00 0.00 C ATOM 761 NE ARG A 52 76.312 0.641 14.117 1.00 0.00 N ATOM 762 CZ ARG A 52 75.570 1.653 14.552 1.00 0.00 C ATOM 763 NH1 ARG A 52 74.462 1.420 15.201 1.00 0.00 N ATOM 764 NH2 ARG A 52 75.950 2.883 14.330 1.00 0.00 N ATOM 0 H ARG A 52 81.528 -1.770 14.507 1.00 0.00 H new ATOM 0 HA ARG A 52 79.481 -1.736 16.264 1.00 0.00 H new ATOM 0 HB2 ARG A 52 78.181 0.004 15.375 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.696 -0.301 13.728 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.249 -2.212 13.500 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.035 -2.369 15.232 1.00 0.00 H new ATOM 0 HD2 ARG A 52 75.252 -1.080 13.557 1.00 0.00 H new ATOM 0 HD3 ARG A 52 75.351 -0.811 15.286 1.00 0.00 H new ATOM 0 HE ARG A 52 77.175 0.834 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 52 74.165 0.460 15.375 1.00 0.00 H new ATOM 0 HH12 ARG A 52 73.893 2.198 15.535 1.00 0.00 H new ATOM 0 HH21 ARG A 52 76.816 3.066 13.823 1.00 0.00 H new ATOM 0 HH22 ARG A 52 75.381 3.661 14.664 1.00 0.00 H new ATOM 778 N TYR A 53 79.692 -3.219 13.313 1.00 0.00 N ATOM 779 CA TYR A 53 79.550 -4.513 12.663 1.00 0.00 C ATOM 780 C TYR A 53 80.868 -4.966 12.048 1.00 0.00 C ATOM 781 O TYR A 53 81.020 -4.992 10.827 1.00 0.00 O ATOM 782 CB TYR A 53 78.464 -4.434 11.582 1.00 0.00 C ATOM 783 CG TYR A 53 77.132 -4.867 12.157 1.00 0.00 C ATOM 784 CD1 TYR A 53 76.986 -6.141 12.722 1.00 0.00 C ATOM 785 CD2 TYR A 53 76.040 -3.991 12.121 1.00 0.00 C ATOM 786 CE1 TYR A 53 75.752 -6.535 13.252 1.00 0.00 C ATOM 787 CE2 TYR A 53 74.805 -4.387 12.650 1.00 0.00 C ATOM 788 CZ TYR A 53 74.662 -5.659 13.216 1.00 0.00 C ATOM 789 OH TYR A 53 73.445 -6.048 13.737 1.00 0.00 O ATOM 0 H TYR A 53 80.046 -2.473 12.714 1.00 0.00 H new ATOM 0 HA TYR A 53 79.260 -5.246 13.416 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.392 -3.415 11.201 1.00 0.00 H new ATOM 0 HB3 TYR A 53 78.731 -5.072 10.739 1.00 0.00 H new ATOM 0 HD1 TYR A 53 77.826 -6.819 12.748 1.00 0.00 H new ATOM 0 HD2 TYR A 53 76.150 -3.009 11.685 1.00 0.00 H new ATOM 0 HE1 TYR A 53 75.641 -7.516 13.689 1.00 0.00 H new ATOM 0 HE2 TYR A 53 73.963 -3.711 12.621 1.00 0.00 H new ATOM 0 HH TYR A 53 72.797 -5.321 13.632 1.00 0.00 H new ATOM 799 N ARG A 54 81.817 -5.330 12.906 1.00 0.00 N ATOM 800 CA ARG A 54 83.122 -5.790 12.443 1.00 0.00 C ATOM 801 C ARG A 54 83.284 -7.284 12.702 1.00 0.00 C ATOM 802 O ARG A 54 83.748 -7.695 13.765 1.00 0.00 O ATOM 803 CB ARG A 54 84.233 -5.022 13.159 1.00 0.00 C ATOM 804 CG ARG A 54 83.789 -4.682 14.583 1.00 0.00 C ATOM 805 CD ARG A 54 84.919 -3.948 15.308 1.00 0.00 C ATOM 806 NE ARG A 54 86.117 -4.779 15.346 1.00 0.00 N ATOM 807 CZ ARG A 54 87.260 -4.312 15.841 1.00 0.00 C ATOM 808 NH1 ARG A 54 87.322 -3.091 16.298 1.00 0.00 N ATOM 809 NH2 ARG A 54 88.321 -5.072 15.869 1.00 0.00 N ATOM 0 H ARG A 54 81.708 -5.316 13.920 1.00 0.00 H new ATOM 0 HA ARG A 54 83.191 -5.608 11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 54 85.144 -5.620 13.185 1.00 0.00 H new ATOM 0 HB3 ARG A 54 84.467 -4.108 12.613 1.00 0.00 H new ATOM 0 HG2 ARG A 54 82.894 -4.060 14.558 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.528 -5.593 15.121 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.136 -3.008 14.801 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.608 -3.699 16.323 1.00 0.00 H new ATOM 0 HE ARG A 54 86.078 -5.733 14.987 1.00 0.00 H new ATOM 0 HH11 ARG A 54 86.494 -2.495 16.275 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.198 -2.732 16.678 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.275 -6.026 15.511 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.196 -4.712 16.249 1.00 0.00 H new ATOM 823 N ARG A 55 82.896 -8.093 11.721 1.00 0.00 N ATOM 824 CA ARG A 55 83.000 -9.541 11.852 1.00 0.00 C ATOM 825 C ARG A 55 83.206 -10.188 10.486 1.00 0.00 C ATOM 826 O ARG A 55 82.425 -9.964 9.560 1.00 0.00 O ATOM 827 CB ARG A 55 81.730 -10.099 12.495 1.00 0.00 C ATOM 828 CG ARG A 55 81.986 -11.529 12.975 1.00 0.00 C ATOM 829 CD ARG A 55 80.652 -12.207 13.295 1.00 0.00 C ATOM 830 NE ARG A 55 80.874 -13.412 14.084 1.00 0.00 N ATOM 831 CZ ARG A 55 81.167 -13.342 15.378 1.00 0.00 C ATOM 832 NH1 ARG A 55 81.258 -12.180 15.966 1.00 0.00 N ATOM 833 NH2 ARG A 55 81.364 -14.436 16.062 1.00 0.00 N ATOM 0 H ARG A 55 82.509 -7.773 10.833 1.00 0.00 H new ATOM 0 HA ARG A 55 83.858 -9.770 12.484 1.00 0.00 H new ATOM 0 HB2 ARG A 55 81.428 -9.471 13.334 1.00 0.00 H new ATOM 0 HB3 ARG A 55 80.910 -10.087 11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 55 82.517 -12.092 12.207 1.00 0.00 H new ATOM 0 HG3 ARG A 55 82.622 -11.518 13.860 1.00 0.00 H new ATOM 0 HD2 ARG A 55 80.009 -11.519 13.843 1.00 0.00 H new ATOM 0 HD3 ARG A 55 80.134 -12.460 12.370 1.00 0.00 H new ATOM 0 HE ARG A 55 80.803 -14.325 13.635 1.00 0.00 H new ATOM 0 HH11 ARG A 55 81.104 -11.325 15.432 1.00 0.00 H new ATOM 0 HH12 ARG A 55 81.483 -12.127 16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 55 81.293 -15.344 15.603 1.00 0.00 H new ATOM 0 HH22 ARG A 55 81.589 -14.383 17.055 1.00 0.00 H new ATOM 847 N LYS A 56 84.256 -10.992 10.366 1.00 0.00 N ATOM 848 CA LYS A 56 84.548 -11.666 9.107 1.00 0.00 C ATOM 849 C LYS A 56 85.429 -12.889 9.344 1.00 0.00 C ATOM 850 O LYS A 56 86.084 -13.382 8.424 1.00 0.00 O ATOM 851 CB LYS A 56 85.254 -10.704 8.149 1.00 0.00 C ATOM 852 CG LYS A 56 84.534 -10.701 6.797 1.00 0.00 C ATOM 853 CD LYS A 56 84.694 -12.070 6.129 1.00 0.00 C ATOM 854 CE LYS A 56 84.428 -11.941 4.627 1.00 0.00 C ATOM 855 NZ LYS A 56 84.766 -13.225 3.952 1.00 0.00 N ATOM 0 H LYS A 56 84.915 -11.192 11.119 1.00 0.00 H new ATOM 0 HA LYS A 56 83.606 -11.991 8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 56 85.263 -9.698 8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 56 86.294 -11.004 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.477 -10.474 6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.945 -9.921 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.700 -12.454 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 56 84.001 -12.785 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 56 83.382 -11.690 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 56 85.024 -11.130 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 84.586 -13.139 2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.770 -13.446 4.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.178 -13.988 4.344 1.00 0.00 H new ATOM 869 N GLY A 57 85.441 -13.375 10.581 1.00 0.00 N ATOM 870 CA GLY A 57 86.246 -14.541 10.924 1.00 0.00 C ATOM 871 C GLY A 57 87.733 -14.218 10.842 1.00 0.00 C ATOM 872 O GLY A 57 88.490 -14.900 10.152 1.00 0.00 O ATOM 0 H GLY A 57 84.907 -12.983 11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.997 -14.876 11.931 1.00 0.00 H new ATOM 0 HA3 GLY A 57 86.010 -15.362 10.247 1.00 0.00 H new ATOM 876 N ASP A 58 88.145 -13.173 11.551 1.00 0.00 N ATOM 877 CA ASP A 58 89.547 -12.766 11.552 1.00 0.00 C ATOM 878 C ASP A 58 90.411 -13.815 12.245 1.00 0.00 C ATOM 879 O ASP A 58 90.621 -13.758 13.455 1.00 0.00 O ATOM 880 CB ASP A 58 89.699 -11.423 12.268 1.00 0.00 C ATOM 881 CG ASP A 58 89.365 -10.282 11.313 1.00 0.00 C ATOM 882 OD1 ASP A 58 88.190 -10.002 11.143 1.00 0.00 O ATOM 883 OD2 ASP A 58 90.290 -9.705 10.765 1.00 0.00 O ATOM 0 H ASP A 58 87.534 -12.595 12.129 1.00 0.00 H new ATOM 0 HA ASP A 58 89.877 -12.667 10.518 1.00 0.00 H new ATOM 0 HB2 ASP A 58 89.040 -11.387 13.135 1.00 0.00 H new ATOM 0 HB3 ASP A 58 90.718 -11.312 12.638 1.00 0.00 H new ATOM 888 N ALA A 59 90.908 -14.773 11.467 1.00 0.00 N ATOM 889 CA ALA A 59 91.751 -15.829 12.016 1.00 0.00 C ATOM 890 C ALA A 59 93.041 -15.245 12.583 1.00 0.00 C ATOM 891 O ALA A 59 93.298 -15.331 13.783 1.00 0.00 O ATOM 892 CB ALA A 59 92.086 -16.850 10.927 1.00 0.00 C ATOM 0 H ALA A 59 90.743 -14.839 10.463 1.00 0.00 H new ATOM 0 HA ALA A 59 91.205 -16.322 12.820 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.716 -17.635 11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 59 91.165 -17.289 10.544 1.00 0.00 H new ATOM 0 HB3 ALA A 59 92.616 -16.354 10.114 1.00 0.00 H new ATOM 898 N GLY A 60 93.847 -14.650 11.710 1.00 0.00 N ATOM 899 CA GLY A 60 95.109 -14.054 12.134 1.00 0.00 C ATOM 900 C GLY A 60 95.971 -13.692 10.930 1.00 0.00 C ATOM 901 O GLY A 60 97.193 -13.840 10.963 1.00 0.00 O ATOM 0 H GLY A 60 93.651 -14.568 10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 60 94.913 -13.161 12.728 1.00 0.00 H new ATOM 0 HA3 GLY A 60 95.648 -14.751 12.776 1.00 0.00 H new ATOM 905 N GLY A 61 95.327 -13.216 9.870 1.00 0.00 N ATOM 906 CA GLY A 61 96.045 -12.837 8.659 1.00 0.00 C ATOM 907 C GLY A 61 95.074 -12.526 7.526 1.00 0.00 C ATOM 908 O GLY A 61 95.464 -12.463 6.360 1.00 0.00 O ATOM 0 H GLY A 61 94.317 -13.084 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 61 96.668 -11.965 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 61 96.713 -13.645 8.360 1.00 0.00 H new ATOM 912 N LEU A 62 93.806 -12.332 7.876 1.00 0.00 N ATOM 913 CA LEU A 62 92.786 -12.027 6.882 1.00 0.00 C ATOM 914 C LEU A 62 93.334 -11.087 5.816 1.00 0.00 C ATOM 915 O LEU A 62 94.180 -10.238 6.098 1.00 0.00 O ATOM 916 CB LEU A 62 91.578 -11.381 7.559 1.00 0.00 C ATOM 917 CG LEU A 62 90.331 -12.226 7.292 1.00 0.00 C ATOM 918 CD1 LEU A 62 90.491 -13.598 7.948 1.00 0.00 C ATOM 919 CD2 LEU A 62 89.104 -11.524 7.876 1.00 0.00 C ATOM 0 H LEU A 62 93.463 -12.380 8.835 1.00 0.00 H new ATOM 0 HA LEU A 62 92.484 -12.959 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.751 -11.297 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 62 91.433 -10.369 7.180 1.00 0.00 H new ATOM 0 HG LEU A 62 90.203 -12.351 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 62 89.602 -14.199 7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 62 91.364 -14.100 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 62 90.621 -13.474 9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 62 88.215 -12.126 7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 62 89.234 -11.398 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 62 88.987 -10.547 7.408 1.00 0.00 H new ATOM 931 N LYS A 63 92.842 -11.240 4.593 1.00 0.00 N ATOM 932 CA LYS A 63 93.283 -10.395 3.490 1.00 0.00 C ATOM 933 C LYS A 63 92.155 -9.471 3.048 1.00 0.00 C ATOM 934 O LYS A 63 92.391 -8.436 2.426 1.00 0.00 O ATOM 935 CB LYS A 63 93.729 -11.263 2.311 1.00 0.00 C ATOM 936 CG LYS A 63 94.857 -12.193 2.760 1.00 0.00 C ATOM 937 CD LYS A 63 95.219 -13.145 1.618 1.00 0.00 C ATOM 938 CE LYS A 63 94.454 -14.460 1.786 1.00 0.00 C ATOM 939 NZ LYS A 63 94.838 -15.095 3.079 1.00 0.00 N ATOM 0 H LYS A 63 92.141 -11.937 4.340 1.00 0.00 H new ATOM 0 HA LYS A 63 94.124 -9.790 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 63 92.888 -11.848 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 63 94.069 -10.632 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.730 -11.609 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 63 94.547 -12.761 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.973 -12.689 0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.292 -13.334 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 63 93.380 -14.274 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 63 94.678 -15.132 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 94.862 -16.128 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 95.779 -14.757 3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 94.142 -14.844 3.810 1.00 0.00 H new ATOM 953 N SER A 64 90.924 -9.854 3.378 1.00 0.00 N ATOM 954 CA SER A 64 89.762 -9.053 3.014 1.00 0.00 C ATOM 955 C SER A 64 89.642 -7.838 3.926 1.00 0.00 C ATOM 956 O SER A 64 89.594 -6.700 3.459 1.00 0.00 O ATOM 957 CB SER A 64 88.493 -9.900 3.119 1.00 0.00 C ATOM 958 OG SER A 64 88.240 -10.197 4.486 1.00 0.00 O ATOM 0 H SER A 64 90.708 -10.708 3.893 1.00 0.00 H new ATOM 0 HA SER A 64 89.887 -8.710 1.987 1.00 0.00 H new ATOM 0 HB2 SER A 64 87.647 -9.364 2.689 1.00 0.00 H new ATOM 0 HB3 SER A 64 88.609 -10.822 2.550 1.00 0.00 H new ATOM 0 HG SER A 64 87.426 -10.738 4.558 1.00 0.00 H new ATOM 964 N PHE A 65 89.598 -8.086 5.232 1.00 0.00 N ATOM 965 CA PHE A 65 89.486 -7.003 6.201 1.00 0.00 C ATOM 966 C PHE A 65 90.711 -6.098 6.131 1.00 0.00 C ATOM 967 O PHE A 65 90.597 -4.872 6.189 1.00 0.00 O ATOM 968 CB PHE A 65 89.354 -7.576 7.614 1.00 0.00 C ATOM 969 CG PHE A 65 88.949 -6.479 8.569 1.00 0.00 C ATOM 970 CD1 PHE A 65 89.898 -5.551 9.011 1.00 0.00 C ATOM 971 CD2 PHE A 65 87.626 -6.394 9.015 1.00 0.00 C ATOM 972 CE1 PHE A 65 89.523 -4.534 9.900 1.00 0.00 C ATOM 973 CE2 PHE A 65 87.249 -5.377 9.901 1.00 0.00 C ATOM 974 CZ PHE A 65 88.198 -4.448 10.344 1.00 0.00 C ATOM 0 H PHE A 65 89.638 -9.020 5.640 1.00 0.00 H new ATOM 0 HA PHE A 65 88.598 -6.417 5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.612 -8.375 7.626 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.300 -8.015 7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 65 90.920 -5.618 8.667 1.00 0.00 H new ATOM 0 HD2 PHE A 65 86.895 -7.113 8.676 1.00 0.00 H new ATOM 0 HE1 PHE A 65 90.255 -3.818 10.242 1.00 0.00 H new ATOM 0 HE2 PHE A 65 86.227 -5.309 10.242 1.00 0.00 H new ATOM 0 HZ PHE A 65 87.908 -3.665 11.029 1.00 0.00 H new ATOM 984 N THR A 66 91.884 -6.710 6.003 1.00 0.00 N ATOM 985 CA THR A 66 93.123 -5.949 5.924 1.00 0.00 C ATOM 986 C THR A 66 93.032 -4.892 4.831 1.00 0.00 C ATOM 987 O THR A 66 93.492 -3.763 5.007 1.00 0.00 O ATOM 988 CB THR A 66 94.297 -6.887 5.636 1.00 0.00 C ATOM 989 OG1 THR A 66 94.264 -7.976 6.549 1.00 0.00 O ATOM 990 CG2 THR A 66 95.613 -6.125 5.797 1.00 0.00 C ATOM 0 H THR A 66 92.001 -7.722 5.952 1.00 0.00 H new ATOM 0 HA THR A 66 93.284 -5.453 6.881 1.00 0.00 H new ATOM 0 HB THR A 66 94.221 -7.263 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 66 94.229 -8.819 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.448 -6.794 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.637 -5.289 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.693 -5.748 6.817 1.00 0.00 H new ATOM 998 N THR A 67 92.428 -5.256 3.705 1.00 0.00 N ATOM 999 CA THR A 67 92.280 -4.322 2.605 1.00 0.00 C ATOM 1000 C THR A 67 91.283 -3.236 2.977 1.00 0.00 C ATOM 1001 O THR A 67 91.518 -2.060 2.731 1.00 0.00 O ATOM 1002 CB THR A 67 91.788 -5.047 1.361 1.00 0.00 C ATOM 1003 OG1 THR A 67 91.554 -6.413 1.672 1.00 0.00 O ATOM 1004 CG2 THR A 67 92.838 -4.943 0.252 1.00 0.00 C ATOM 0 H THR A 67 92.038 -6.183 3.535 1.00 0.00 H new ATOM 0 HA THR A 67 93.251 -3.872 2.400 1.00 0.00 H new ATOM 0 HB THR A 67 90.860 -4.589 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 67 92.407 -6.895 1.692 1.00 0.00 H new ATOM 0 HG21 THR A 67 92.481 -5.464 -0.637 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.012 -3.894 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 67 93.770 -5.397 0.589 1.00 0.00 H new ATOM 1012 N MET A 68 90.167 -3.640 3.576 1.00 0.00 N ATOM 1013 CA MET A 68 89.152 -2.676 3.976 1.00 0.00 C ATOM 1014 C MET A 68 89.803 -1.556 4.777 1.00 0.00 C ATOM 1015 O MET A 68 89.360 -0.409 4.738 1.00 0.00 O ATOM 1016 CB MET A 68 88.073 -3.364 4.817 1.00 0.00 C ATOM 1017 CG MET A 68 87.046 -4.022 3.890 1.00 0.00 C ATOM 1018 SD MET A 68 85.882 -2.771 3.296 1.00 0.00 S ATOM 1019 CE MET A 68 84.373 -3.745 3.512 1.00 0.00 C ATOM 0 H MET A 68 89.946 -4.612 3.792 1.00 0.00 H new ATOM 0 HA MET A 68 88.684 -2.257 3.085 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.526 -4.113 5.466 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.582 -2.637 5.464 1.00 0.00 H new ATOM 0 HG2 MET A 68 87.551 -4.494 3.047 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.511 -4.809 4.422 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.517 -3.175 3.150 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.455 -4.674 2.947 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.236 -3.974 4.569 1.00 0.00 H new ATOM 1029 N GLN A 69 90.871 -1.899 5.491 1.00 0.00 N ATOM 1030 CA GLN A 69 91.594 -0.916 6.286 1.00 0.00 C ATOM 1031 C GLN A 69 92.506 -0.087 5.389 1.00 0.00 C ATOM 1032 O GLN A 69 92.647 1.122 5.578 1.00 0.00 O ATOM 1033 CB GLN A 69 92.431 -1.620 7.356 1.00 0.00 C ATOM 1034 CG GLN A 69 92.318 -0.858 8.678 1.00 0.00 C ATOM 1035 CD GLN A 69 90.908 -1.002 9.242 1.00 0.00 C ATOM 1036 OE1 GLN A 69 90.028 -1.557 8.581 1.00 0.00 O ATOM 1037 NE2 GLN A 69 90.640 -0.534 10.429 1.00 0.00 N ATOM 0 H GLN A 69 91.252 -2.844 5.535 1.00 0.00 H new ATOM 0 HA GLN A 69 90.872 -0.258 6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 69 92.086 -2.646 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 69 93.473 -1.671 7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 69 93.046 -1.242 9.393 1.00 0.00 H new ATOM 0 HG3 GLN A 69 92.551 0.195 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 69 91.371 -0.075 10.973 1.00 0.00 H new ATOM 0 HE22 GLN A 69 89.700 -0.627 10.813 1.00 0.00 H new ATOM 1046 N THR A 70 93.118 -0.745 4.410 1.00 0.00 N ATOM 1047 CA THR A 70 94.011 -0.055 3.486 1.00 0.00 C ATOM 1048 C THR A 70 93.225 0.938 2.636 1.00 0.00 C ATOM 1049 O THR A 70 93.604 2.103 2.520 1.00 0.00 O ATOM 1050 CB THR A 70 94.710 -1.068 2.577 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.225 -2.131 3.367 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.855 -0.383 1.830 1.00 0.00 C ATOM 0 H THR A 70 93.014 -1.745 4.237 1.00 0.00 H new ATOM 0 HA THR A 70 94.760 0.486 4.064 1.00 0.00 H new ATOM 0 HB THR A 70 93.996 -1.463 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.483 -2.663 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.352 -1.106 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.458 0.433 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.572 0.014 2.548 1.00 0.00 H new ATOM 1060 N ALA A 71 92.125 0.474 2.051 1.00 0.00 N ATOM 1061 CA ALA A 71 91.293 1.341 1.227 1.00 0.00 C ATOM 1062 C ALA A 71 90.646 2.420 2.085 1.00 0.00 C ATOM 1063 O ALA A 71 90.459 3.549 1.637 1.00 0.00 O ATOM 1064 CB ALA A 71 90.210 0.523 0.521 1.00 0.00 C ATOM 0 H ALA A 71 91.792 -0.487 2.131 1.00 0.00 H new ATOM 0 HA ALA A 71 91.925 1.815 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.596 1.184 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 71 90.678 -0.229 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.583 0.031 1.265 1.00 0.00 H new ATOM 1070 N LEU A 72 90.312 2.072 3.326 1.00 0.00 N ATOM 1071 CA LEU A 72 89.693 3.034 4.231 1.00 0.00 C ATOM 1072 C LEU A 72 90.567 4.279 4.343 1.00 0.00 C ATOM 1073 O LEU A 72 90.116 5.396 4.085 1.00 0.00 O ATOM 1074 CB LEU A 72 89.510 2.402 5.616 1.00 0.00 C ATOM 1075 CG LEU A 72 89.120 3.479 6.633 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.934 4.286 6.102 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.724 2.810 7.951 1.00 0.00 C ATOM 0 H LEU A 72 90.458 1.144 3.723 1.00 0.00 H new ATOM 0 HA LEU A 72 88.718 3.318 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.740 1.632 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.433 1.913 5.927 1.00 0.00 H new ATOM 0 HG LEU A 72 89.967 4.145 6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.660 5.051 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.210 4.762 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.086 3.621 5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 72 88.446 3.574 8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.877 2.145 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 72 89.566 2.234 8.334 1.00 0.00 H new ATOM 1089 N ASN A 73 91.826 4.075 4.718 1.00 0.00 N ATOM 1090 CA ASN A 73 92.760 5.186 4.852 1.00 0.00 C ATOM 1091 C ASN A 73 92.904 5.919 3.522 1.00 0.00 C ATOM 1092 O ASN A 73 92.945 7.150 3.479 1.00 0.00 O ATOM 1093 CB ASN A 73 94.128 4.670 5.303 1.00 0.00 C ATOM 1094 CG ASN A 73 95.223 5.629 4.845 1.00 0.00 C ATOM 1095 OD1 ASN A 73 95.027 6.844 4.850 1.00 0.00 O ATOM 1096 ND2 ASN A 73 96.370 5.151 4.450 1.00 0.00 N ATOM 0 H ASN A 73 92.220 3.159 4.933 1.00 0.00 H new ATOM 0 HA ASN A 73 92.371 5.878 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 73 94.149 4.572 6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.306 3.677 4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 73 97.108 5.785 4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 73 96.529 4.143 4.447 1.00 0.00 H new ATOM 1103 N SER A 74 92.976 5.154 2.437 1.00 0.00 N ATOM 1104 CA SER A 74 93.111 5.739 1.108 1.00 0.00 C ATOM 1105 C SER A 74 91.956 6.692 0.824 1.00 0.00 C ATOM 1106 O SER A 74 92.167 7.855 0.476 1.00 0.00 O ATOM 1107 CB SER A 74 93.135 4.636 0.050 1.00 0.00 C ATOM 1108 OG SER A 74 93.443 5.207 -1.216 1.00 0.00 O ATOM 0 H SER A 74 92.943 4.135 2.451 1.00 0.00 H new ATOM 0 HA SER A 74 94.047 6.297 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 74 93.876 3.881 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 74 92.169 4.133 0.010 1.00 0.00 H new ATOM 0 HG SER A 74 92.668 5.708 -1.546 1.00 0.00 H new ATOM 1114 N LEU A 75 90.732 6.195 0.978 1.00 0.00 N ATOM 1115 CA LEU A 75 89.556 7.019 0.736 1.00 0.00 C ATOM 1116 C LEU A 75 89.728 8.365 1.413 1.00 0.00 C ATOM 1117 O LEU A 75 89.615 9.419 0.787 1.00 0.00 O ATOM 1118 CB LEU A 75 88.304 6.357 1.314 1.00 0.00 C ATOM 1119 CG LEU A 75 87.991 5.085 0.540 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.140 4.149 1.400 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.222 5.432 -0.741 1.00 0.00 C ATOM 0 H LEU A 75 90.531 5.237 1.266 1.00 0.00 H new ATOM 0 HA LEU A 75 89.444 7.140 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.458 6.124 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 75 87.460 7.044 1.259 1.00 0.00 H new ATOM 0 HG LEU A 75 88.927 4.590 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.919 3.240 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.686 3.892 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.207 4.647 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 75 87.000 4.518 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.290 5.934 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.828 6.091 -1.362 1.00 0.00 H new ATOM 1133 N ALA A 76 89.993 8.305 2.710 1.00 0.00 N ATOM 1134 CA ALA A 76 90.175 9.512 3.504 1.00 0.00 C ATOM 1135 C ALA A 76 91.083 10.494 2.776 1.00 0.00 C ATOM 1136 O ALA A 76 90.745 11.667 2.621 1.00 0.00 O ATOM 1137 CB ALA A 76 90.783 9.158 4.863 1.00 0.00 C ATOM 0 H ALA A 76 90.087 7.435 3.234 1.00 0.00 H new ATOM 0 HA ALA A 76 89.201 9.978 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 76 90.916 10.067 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 76 90.117 8.477 5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 76 91.750 8.677 4.715 1.00 0.00 H new ATOM 1143 N GLY A 77 92.233 10.008 2.321 1.00 0.00 N ATOM 1144 CA GLY A 77 93.171 10.860 1.601 1.00 0.00 C ATOM 1145 C GLY A 77 92.470 11.571 0.448 1.00 0.00 C ATOM 1146 O GLY A 77 92.732 12.742 0.177 1.00 0.00 O ATOM 0 H GLY A 77 92.535 9.041 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 77 93.600 11.595 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.996 10.260 1.218 1.00 0.00 H new ATOM 1150 N TYR A 78 91.571 10.856 -0.226 1.00 0.00 N ATOM 1151 CA TYR A 78 90.834 11.434 -1.346 1.00 0.00 C ATOM 1152 C TYR A 78 89.806 12.438 -0.838 1.00 0.00 C ATOM 1153 O TYR A 78 89.515 13.433 -1.499 1.00 0.00 O ATOM 1154 CB TYR A 78 90.128 10.331 -2.139 1.00 0.00 C ATOM 1155 CG TYR A 78 88.830 10.862 -2.696 1.00 0.00 C ATOM 1156 CD1 TYR A 78 88.812 11.490 -3.947 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.644 10.726 -1.964 1.00 0.00 C ATOM 1158 CE1 TYR A 78 87.608 11.981 -4.466 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.441 11.218 -2.483 1.00 0.00 C ATOM 1160 CZ TYR A 78 86.423 11.847 -3.734 1.00 0.00 C ATOM 1161 OH TYR A 78 85.237 12.330 -4.247 1.00 0.00 O ATOM 0 H TYR A 78 91.337 9.885 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 78 91.541 11.947 -1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.769 9.984 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.936 9.472 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 78 89.727 11.596 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 78 87.658 10.241 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 78 87.594 12.464 -5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.526 11.113 -1.919 1.00 0.00 H new ATOM 0 HH TYR A 78 84.549 11.634 -4.192 1.00 0.00 H new ATOM 1171 N TYR A 79 89.264 12.168 0.345 1.00 0.00 N ATOM 1172 CA TYR A 79 88.271 13.052 0.944 1.00 0.00 C ATOM 1173 C TYR A 79 88.940 14.309 1.490 1.00 0.00 C ATOM 1174 O TYR A 79 88.293 15.340 1.671 1.00 0.00 O ATOM 1175 CB TYR A 79 87.540 12.324 2.073 1.00 0.00 C ATOM 1176 CG TYR A 79 86.792 13.323 2.922 1.00 0.00 C ATOM 1177 CD1 TYR A 79 85.510 13.741 2.546 1.00 0.00 C ATOM 1178 CD2 TYR A 79 87.378 13.825 4.091 1.00 0.00 C ATOM 1179 CE1 TYR A 79 84.814 14.663 3.338 1.00 0.00 C ATOM 1180 CE2 TYR A 79 86.682 14.748 4.881 1.00 0.00 C ATOM 1181 CZ TYR A 79 85.400 15.166 4.505 1.00 0.00 C ATOM 1182 OH TYR A 79 84.715 16.073 5.286 1.00 0.00 O ATOM 0 H TYR A 79 89.494 11.348 0.906 1.00 0.00 H new ATOM 0 HA TYR A 79 87.553 13.341 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 79 86.846 11.593 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 79 88.254 11.774 2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 79 85.058 13.353 1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 79 88.366 13.500 4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 79 83.825 14.986 3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 79 87.134 15.138 5.781 1.00 0.00 H new ATOM 0 HH TYR A 79 85.264 16.319 6.059 1.00 0.00 H new ATOM 1192 N THR A 80 90.241 14.214 1.748 1.00 0.00 N ATOM 1193 CA THR A 80 90.990 15.351 2.272 1.00 0.00 C ATOM 1194 C THR A 80 91.243 16.371 1.167 1.00 0.00 C ATOM 1195 O THR A 80 91.504 16.007 0.021 1.00 0.00 O ATOM 1196 CB THR A 80 92.326 14.878 2.850 1.00 0.00 C ATOM 1197 OG1 THR A 80 92.170 13.572 3.391 1.00 0.00 O ATOM 1198 CG2 THR A 80 92.778 15.838 3.950 1.00 0.00 C ATOM 0 H THR A 80 90.794 13.369 1.604 1.00 0.00 H new ATOM 0 HA THR A 80 90.403 15.820 3.061 1.00 0.00 H new ATOM 0 HB THR A 80 93.077 14.857 2.060 1.00 0.00 H new ATOM 0 HG1 THR A 80 91.878 12.958 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 80 93.729 15.499 4.360 1.00 0.00 H new ATOM 0 HG22 THR A 80 92.898 16.838 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 80 92.030 15.862 4.742 1.00 0.00 H new ATOM 1206 N SER A 81 91.164 17.650 1.518 1.00 0.00 N ATOM 1207 CA SER A 81 91.384 18.712 0.542 1.00 0.00 C ATOM 1208 C SER A 81 90.336 18.642 -0.564 1.00 0.00 C ATOM 1209 O SER A 81 90.508 19.228 -1.634 1.00 0.00 O ATOM 1210 CB SER A 81 92.780 18.581 -0.066 1.00 0.00 C ATOM 1211 OG SER A 81 93.663 18.026 0.900 1.00 0.00 O ATOM 0 H SER A 81 90.951 17.975 2.461 1.00 0.00 H new ATOM 0 HA SER A 81 91.300 19.673 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 81 92.745 17.946 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 81 93.142 19.557 -0.388 1.00 0.00 H new ATOM 0 HG SER A 81 94.559 17.939 0.513 1.00 0.00 H new ATOM 1217 N TYR A 82 89.254 17.919 -0.300 1.00 0.00 N ATOM 1218 CA TYR A 82 88.184 17.775 -1.279 1.00 0.00 C ATOM 1219 C TYR A 82 88.726 17.214 -2.588 1.00 0.00 C ATOM 1220 O TYR A 82 89.252 17.954 -3.420 1.00 0.00 O ATOM 1221 CB TYR A 82 87.522 19.129 -1.534 1.00 0.00 C ATOM 1222 CG TYR A 82 86.273 19.243 -0.695 1.00 0.00 C ATOM 1223 CD1 TYR A 82 85.199 18.374 -0.918 1.00 0.00 C ATOM 1224 CD2 TYR A 82 86.189 20.215 0.310 1.00 0.00 C ATOM 1225 CE1 TYR A 82 84.042 18.477 -0.138 1.00 0.00 C ATOM 1226 CE2 TYR A 82 85.032 20.318 1.090 1.00 0.00 C ATOM 1227 CZ TYR A 82 83.958 19.448 0.866 1.00 0.00 C ATOM 1228 OH TYR A 82 82.817 19.548 1.636 1.00 0.00 O ATOM 0 H TYR A 82 89.095 17.426 0.579 1.00 0.00 H new ATOM 0 HA TYR A 82 87.444 17.081 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 82 88.213 19.936 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 82 87.274 19.232 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 82 85.263 17.624 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 82 87.018 20.885 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 82 83.213 17.807 -0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 82 84.967 21.068 1.864 1.00 0.00 H new ATOM 0 HH TYR A 82 82.924 20.273 2.287 1.00 0.00 H new ATOM 1238 N GLY A 83 88.592 15.905 -2.763 1.00 0.00 N ATOM 1239 CA GLY A 83 89.074 15.253 -3.975 1.00 0.00 C ATOM 1240 C GLY A 83 88.675 16.045 -5.217 1.00 0.00 C ATOM 1241 O GLY A 83 89.325 17.027 -5.575 1.00 0.00 O ATOM 0 H GLY A 83 88.157 15.278 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.159 15.157 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 83 88.666 14.244 -4.036 1.00 0.00 H new ATOM 1245 N ALA A 84 87.603 15.608 -5.871 1.00 0.00 N ATOM 1246 CA ALA A 84 87.130 16.284 -7.074 1.00 0.00 C ATOM 1247 C ALA A 84 88.308 16.679 -7.957 1.00 0.00 C ATOM 1248 O ALA A 84 88.387 17.810 -8.439 1.00 0.00 O ATOM 1249 CB ALA A 84 86.333 17.533 -6.693 1.00 0.00 C ATOM 0 H ALA A 84 87.050 14.797 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 84 86.486 15.600 -7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 84 85.984 18.032 -7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 84 85.477 17.246 -6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 84 86.970 18.213 -6.127 1.00 0.00 H new ATOM 1255 N ARG A 85 89.226 15.739 -8.161 1.00 0.00 N ATOM 1256 CA ARG A 85 90.401 15.995 -8.981 1.00 0.00 C ATOM 1257 C ARG A 85 91.119 14.682 -9.296 1.00 0.00 C ATOM 1258 O ARG A 85 90.935 13.685 -8.599 1.00 0.00 O ATOM 1259 CB ARG A 85 91.338 16.962 -8.245 1.00 0.00 C ATOM 1260 CG ARG A 85 92.577 16.221 -7.727 1.00 0.00 C ATOM 1261 CD ARG A 85 93.396 17.154 -6.830 1.00 0.00 C ATOM 1262 NE ARG A 85 94.606 17.582 -7.522 1.00 0.00 N ATOM 1263 CZ ARG A 85 95.161 18.765 -7.274 1.00 0.00 C ATOM 1264 NH1 ARG A 85 94.625 19.570 -6.399 1.00 0.00 N ATOM 1265 NH2 ARG A 85 96.245 19.121 -7.908 1.00 0.00 N ATOM 0 H ARG A 85 89.178 14.798 -7.771 1.00 0.00 H new ATOM 0 HA ARG A 85 90.094 16.450 -9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 85 91.642 17.765 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 85 90.810 17.426 -7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 85 92.276 15.335 -7.168 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.185 15.879 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 85 92.799 18.023 -6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 85 93.659 16.642 -5.904 1.00 0.00 H new ATOM 0 HE ARG A 85 95.035 16.962 -8.209 1.00 0.00 H new ATOM 0 HH11 ARG A 85 93.778 19.293 -5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 85 95.053 20.477 -6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.665 18.492 -8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 85 96.672 20.028 -7.719 1.00 0.00 H new ATOM 1279 N PRO A 86 91.927 14.663 -10.326 1.00 0.00 N ATOM 1280 CA PRO A 86 92.679 13.443 -10.730 1.00 0.00 C ATOM 1281 C PRO A 86 93.215 12.672 -9.525 1.00 0.00 C ATOM 1282 O PRO A 86 94.197 13.077 -8.904 1.00 0.00 O ATOM 1283 CB PRO A 86 93.819 14.001 -11.579 1.00 0.00 C ATOM 1284 CG PRO A 86 93.290 15.268 -12.172 1.00 0.00 C ATOM 1285 CD PRO A 86 92.212 15.798 -11.220 1.00 0.00 C ATOM 0 HA PRO A 86 92.054 12.726 -11.262 1.00 0.00 H new ATOM 0 HB2 PRO A 86 94.704 14.191 -10.972 1.00 0.00 H new ATOM 0 HB3 PRO A 86 94.111 13.295 -12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 86 94.089 15.999 -12.293 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.873 15.085 -13.162 1.00 0.00 H new ATOM 0 HD2 PRO A 86 92.565 16.665 -10.662 1.00 0.00 H new ATOM 0 HD3 PRO A 86 91.320 16.110 -11.763 1.00 0.00 H new ATOM 1293 N ILE A 87 92.559 11.561 -9.206 1.00 0.00 N ATOM 1294 CA ILE A 87 92.966 10.734 -8.075 1.00 0.00 C ATOM 1295 C ILE A 87 94.418 10.263 -8.240 1.00 0.00 C ATOM 1296 O ILE A 87 94.708 9.458 -9.124 1.00 0.00 O ATOM 1297 CB ILE A 87 92.051 9.513 -7.985 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.594 9.973 -7.910 1.00 0.00 C ATOM 1299 CG2 ILE A 87 92.395 8.708 -6.729 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.676 8.753 -7.813 1.00 0.00 C ATOM 0 H ILE A 87 91.745 11.213 -9.713 1.00 0.00 H new ATOM 0 HA ILE A 87 92.891 11.329 -7.165 1.00 0.00 H new ATOM 0 HB ILE A 87 92.192 8.888 -8.867 1.00 0.00 H new ATOM 0 HG12 ILE A 87 90.450 10.619 -7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.342 10.561 -8.792 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.742 7.837 -6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 87 93.433 8.380 -6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 87 92.254 9.332 -5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.638 9.082 -7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 87 89.813 8.124 -8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.922 8.183 -6.917 1.00 0.00 H new ATOM 1312 N PRO A 88 95.333 10.738 -7.421 1.00 0.00 N ATOM 1313 CA PRO A 88 96.767 10.330 -7.512 1.00 0.00 C ATOM 1314 C PRO A 88 96.937 8.818 -7.627 1.00 0.00 C ATOM 1315 O PRO A 88 96.220 8.050 -6.985 1.00 0.00 O ATOM 1316 CB PRO A 88 97.377 10.842 -6.205 1.00 0.00 C ATOM 1317 CG PRO A 88 96.516 11.986 -5.786 1.00 0.00 C ATOM 1318 CD PRO A 88 95.114 11.705 -6.329 1.00 0.00 C ATOM 0 HA PRO A 88 97.245 10.737 -8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 88 97.389 10.061 -5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.409 11.160 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.499 12.079 -4.700 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.902 12.926 -6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 88 94.464 11.293 -5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.639 12.616 -6.693 1.00 0.00 H new ATOM 1326 N GLU A 89 97.898 8.400 -8.446 1.00 0.00 N ATOM 1327 CA GLU A 89 98.167 6.982 -8.642 1.00 0.00 C ATOM 1328 C GLU A 89 98.172 6.250 -7.305 1.00 0.00 C ATOM 1329 O GLU A 89 98.060 5.031 -7.257 1.00 0.00 O ATOM 1330 CB GLU A 89 99.522 6.799 -9.329 1.00 0.00 C ATOM 1331 CG GLU A 89 100.611 7.490 -8.506 1.00 0.00 C ATOM 1332 CD GLU A 89 101.844 7.729 -9.371 1.00 0.00 C ATOM 1333 OE1 GLU A 89 102.234 6.813 -10.078 1.00 0.00 O ATOM 1334 OE2 GLU A 89 102.381 8.822 -9.316 1.00 0.00 O ATOM 0 H GLU A 89 98.501 9.023 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 89 97.380 6.565 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.748 5.738 -9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.491 7.218 -10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 89 100.239 8.438 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 89 100.874 6.875 -7.645 1.00 0.00 H new ATOM 1341 N LYS A 90 98.299 7.002 -6.220 1.00 0.00 N ATOM 1342 CA LYS A 90 98.312 6.408 -4.894 1.00 0.00 C ATOM 1343 C LYS A 90 96.918 5.932 -4.517 1.00 0.00 C ATOM 1344 O LYS A 90 96.704 4.748 -4.301 1.00 0.00 O ATOM 1345 CB LYS A 90 98.801 7.421 -3.864 1.00 0.00 C ATOM 1346 CG LYS A 90 100.303 7.656 -4.048 1.00 0.00 C ATOM 1347 CD LYS A 90 101.085 6.774 -3.073 1.00 0.00 C ATOM 1348 CE LYS A 90 102.580 7.078 -3.194 1.00 0.00 C ATOM 1349 NZ LYS A 90 102.864 7.647 -4.543 1.00 0.00 N ATOM 0 H LYS A 90 98.394 8.018 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 90 98.991 5.555 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 90 98.259 8.360 -3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.600 7.056 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.594 7.428 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 90 100.541 8.706 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 90 100.748 6.955 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.899 5.722 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 90 102.883 7.783 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 90 103.161 6.168 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 103.892 7.680 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 102.424 7.049 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 102.474 8.609 -4.603 1.00 0.00 H new ATOM 1363 N LEU A 91 95.973 6.866 -4.456 1.00 0.00 N ATOM 1364 CA LEU A 91 94.599 6.535 -4.121 1.00 0.00 C ATOM 1365 C LEU A 91 93.956 5.832 -5.294 1.00 0.00 C ATOM 1366 O LEU A 91 93.139 4.945 -5.124 1.00 0.00 O ATOM 1367 CB LEU A 91 93.811 7.805 -3.794 1.00 0.00 C ATOM 1368 CG LEU A 91 94.233 8.339 -2.422 1.00 0.00 C ATOM 1369 CD1 LEU A 91 95.489 9.200 -2.568 1.00 0.00 C ATOM 1370 CD2 LEU A 91 93.104 9.187 -1.838 1.00 0.00 C ATOM 0 H LEU A 91 96.137 7.857 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 91 94.593 5.882 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.988 8.561 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.742 7.592 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 91 94.444 7.501 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 91 95.786 9.578 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 91 96.296 8.598 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 91 95.280 10.038 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.403 9.568 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 91 92.895 10.023 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 91 92.208 8.576 -1.730 1.00 0.00 H new ATOM 1382 N LYS A 92 94.348 6.233 -6.487 1.00 0.00 N ATOM 1383 CA LYS A 92 93.818 5.628 -7.688 1.00 0.00 C ATOM 1384 C LYS A 92 94.256 4.176 -7.753 1.00 0.00 C ATOM 1385 O LYS A 92 93.432 3.290 -7.881 1.00 0.00 O ATOM 1386 CB LYS A 92 94.311 6.384 -8.926 1.00 0.00 C ATOM 1387 CG LYS A 92 94.540 5.406 -10.081 1.00 0.00 C ATOM 1388 CD LYS A 92 94.680 6.191 -11.386 1.00 0.00 C ATOM 1389 CE LYS A 92 94.758 5.221 -12.566 1.00 0.00 C ATOM 1390 NZ LYS A 92 95.372 5.911 -13.735 1.00 0.00 N ATOM 0 H LYS A 92 95.030 6.974 -6.648 1.00 0.00 H new ATOM 0 HA LYS A 92 92.729 5.678 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 92 93.580 7.138 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.237 6.911 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS A 92 95.438 4.815 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 92 93.707 4.706 -10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 92 93.830 6.862 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.575 6.812 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 92 95.350 4.347 -12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 92 93.761 4.863 -12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 95.426 5.252 -14.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 94.790 6.732 -13.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 96.329 6.231 -13.486 1.00 0.00 H new ATOM 1404 N LYS A 93 95.556 3.933 -7.653 1.00 0.00 N ATOM 1405 CA LYS A 93 96.056 2.568 -7.701 1.00 0.00 C ATOM 1406 C LYS A 93 95.706 1.810 -6.434 1.00 0.00 C ATOM 1407 O LYS A 93 95.501 0.606 -6.470 1.00 0.00 O ATOM 1408 CB LYS A 93 97.571 2.548 -7.909 1.00 0.00 C ATOM 1409 CG LYS A 93 97.997 1.151 -8.363 1.00 0.00 C ATOM 1410 CD LYS A 93 99.514 1.111 -8.538 1.00 0.00 C ATOM 1411 CE LYS A 93 99.949 -0.314 -8.884 1.00 0.00 C ATOM 1412 NZ LYS A 93 98.762 -1.099 -9.329 1.00 0.00 N ATOM 0 H LYS A 93 96.272 4.651 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 93 95.575 2.076 -8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.858 3.289 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 93 98.081 2.814 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.686 0.408 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.505 0.897 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 93 99.818 1.798 -9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 93 100.005 1.441 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 93 100.702 -0.295 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 93 100.407 -0.787 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 99.066 -2.047 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 98.087 -1.184 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 98.304 -0.614 -10.127 1.00 0.00 H new ATOM 1426 N ARG A 94 95.635 2.508 -5.319 1.00 0.00 N ATOM 1427 CA ARG A 94 95.302 1.850 -4.055 1.00 0.00 C ATOM 1428 C ARG A 94 93.827 1.480 -4.023 1.00 0.00 C ATOM 1429 O ARG A 94 93.476 0.351 -3.691 1.00 0.00 O ATOM 1430 CB ARG A 94 95.619 2.743 -2.855 1.00 0.00 C ATOM 1431 CG ARG A 94 97.136 2.849 -2.676 1.00 0.00 C ATOM 1432 CD ARG A 94 97.607 1.795 -1.672 1.00 0.00 C ATOM 1433 NE ARG A 94 99.027 1.521 -1.855 1.00 0.00 N ATOM 1434 CZ ARG A 94 99.460 0.804 -2.886 1.00 0.00 C ATOM 1435 NH1 ARG A 94 98.610 0.334 -3.757 1.00 0.00 N ATOM 1436 NH2 ARG A 94 100.737 0.568 -3.026 1.00 0.00 N ATOM 0 H ARG A 94 95.799 3.513 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 94 95.912 0.949 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 94 95.191 3.734 -3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 94 95.165 2.332 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 94 97.637 2.704 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 94 97.403 3.846 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 94 97.425 2.144 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 94 97.033 0.877 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 94 99.699 1.886 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.613 0.517 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.943 -0.217 -4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 94 101.401 0.934 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 94 101.070 0.017 -3.817 1.00 0.00 H new ATOM 1450 N LEU A 95 92.966 2.430 -4.366 1.00 0.00 N ATOM 1451 CA LEU A 95 91.535 2.168 -4.363 1.00 0.00 C ATOM 1452 C LEU A 95 91.132 1.386 -5.605 1.00 0.00 C ATOM 1453 O LEU A 95 90.207 0.592 -5.551 1.00 0.00 O ATOM 1454 CB LEU A 95 90.716 3.466 -4.301 1.00 0.00 C ATOM 1455 CG LEU A 95 90.789 4.102 -2.904 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.374 5.570 -2.997 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.838 3.375 -1.949 1.00 0.00 C ATOM 0 H LEU A 95 93.229 3.375 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 95 91.322 1.581 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 95 91.089 4.171 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.677 3.256 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 95 91.809 4.024 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.424 6.026 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 95 91.047 6.096 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.354 5.636 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.895 3.832 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.818 3.450 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.123 2.325 -1.881 1.00 0.00 H new ATOM 1469 N GLN A 96 91.826 1.608 -6.722 1.00 0.00 N ATOM 1470 CA GLN A 96 91.498 0.887 -7.949 1.00 0.00 C ATOM 1471 C GLN A 96 92.053 -0.521 -7.882 1.00 0.00 C ATOM 1472 O GLN A 96 91.415 -1.456 -8.334 1.00 0.00 O ATOM 1473 CB GLN A 96 92.039 1.598 -9.193 1.00 0.00 C ATOM 1474 CG GLN A 96 91.458 0.939 -10.449 1.00 0.00 C ATOM 1475 CD GLN A 96 90.212 1.691 -10.900 1.00 0.00 C ATOM 1476 OE1 GLN A 96 89.545 2.333 -10.089 1.00 0.00 O ATOM 1477 NE2 GLN A 96 89.856 1.652 -12.155 1.00 0.00 N ATOM 0 H GLN A 96 92.601 2.266 -6.802 1.00 0.00 H new ATOM 0 HA GLN A 96 90.412 0.854 -8.032 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.772 2.654 -9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.128 1.545 -9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.201 0.938 -11.246 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.210 -0.102 -10.242 1.00 0.00 H new ATOM 0 HE21 GLN A 96 90.410 1.120 -12.826 1.00 0.00 H new ATOM 0 HE22 GLN A 96 89.024 2.154 -12.465 1.00 0.00 H new ATOM 1486 N LEU A 97 93.229 -0.674 -7.293 1.00 0.00 N ATOM 1487 CA LEU A 97 93.813 -2.001 -7.156 1.00 0.00 C ATOM 1488 C LEU A 97 93.101 -2.721 -6.029 1.00 0.00 C ATOM 1489 O LEU A 97 92.899 -3.927 -6.080 1.00 0.00 O ATOM 1490 CB LEU A 97 95.312 -1.938 -6.854 1.00 0.00 C ATOM 1491 CG LEU A 97 95.894 -3.351 -6.899 1.00 0.00 C ATOM 1492 CD1 LEU A 97 95.789 -3.911 -8.319 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.365 -3.310 -6.476 1.00 0.00 C ATOM 0 H LEU A 97 93.789 0.087 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 97 93.692 -2.533 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.815 -1.301 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.479 -1.494 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 97 95.334 -3.992 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.205 -4.918 -8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 97 94.742 -3.943 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 97 96.345 -3.271 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.781 -4.317 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.922 -2.666 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 97 97.441 -2.918 -5.462 1.00 0.00 H new ATOM 1505 N GLU A 98 92.704 -1.958 -5.014 1.00 0.00 N ATOM 1506 CA GLU A 98 91.983 -2.530 -3.887 1.00 0.00 C ATOM 1507 C GLU A 98 90.556 -2.844 -4.308 1.00 0.00 C ATOM 1508 O GLU A 98 89.996 -3.859 -3.906 1.00 0.00 O ATOM 1509 CB GLU A 98 91.973 -1.570 -2.697 1.00 0.00 C ATOM 1510 CG GLU A 98 91.148 -2.179 -1.559 1.00 0.00 C ATOM 1511 CD GLU A 98 89.660 -1.951 -1.803 1.00 0.00 C ATOM 1512 OE1 GLU A 98 89.332 -1.043 -2.549 1.00 0.00 O ATOM 1513 OE2 GLU A 98 88.868 -2.688 -1.238 1.00 0.00 O ATOM 0 H GLU A 98 92.868 -0.953 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 98 92.488 -3.446 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 98 92.992 -1.380 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 98 91.551 -0.610 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 98 91.352 -3.247 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 98 91.440 -1.732 -0.609 1.00 0.00 H new ATOM 1520 N PHE A 99 89.969 -1.973 -5.132 1.00 0.00 N ATOM 1521 CA PHE A 99 88.606 -2.206 -5.597 1.00 0.00 C ATOM 1522 C PHE A 99 88.619 -3.139 -6.801 1.00 0.00 C ATOM 1523 O PHE A 99 87.639 -3.824 -7.064 1.00 0.00 O ATOM 1524 CB PHE A 99 87.877 -0.898 -5.956 1.00 0.00 C ATOM 1525 CG PHE A 99 87.540 -0.079 -4.710 1.00 0.00 C ATOM 1526 CD1 PHE A 99 86.959 -0.677 -3.569 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.790 1.299 -4.710 1.00 0.00 C ATOM 1528 CE1 PHE A 99 86.646 0.101 -2.451 1.00 0.00 C ATOM 1529 CE2 PHE A 99 87.469 2.073 -3.587 1.00 0.00 C ATOM 1530 CZ PHE A 99 86.902 1.475 -2.459 1.00 0.00 C ATOM 0 H PHE A 99 90.406 -1.120 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 99 88.059 -2.668 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.502 -0.305 -6.624 1.00 0.00 H new ATOM 0 HB3 PHE A 99 86.960 -1.129 -6.499 1.00 0.00 H new ATOM 0 HD1 PHE A 99 86.756 -1.738 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 99 88.231 1.766 -5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 99 86.206 -0.360 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 99 87.661 3.136 -3.593 1.00 0.00 H new ATOM 0 HZ PHE A 99 86.662 2.074 -1.593 1.00 0.00 H new ATOM 1540 N THR A 100 89.740 -3.195 -7.512 1.00 0.00 N ATOM 1541 CA THR A 100 89.853 -4.095 -8.654 1.00 0.00 C ATOM 1542 C THR A 100 90.217 -5.471 -8.133 1.00 0.00 C ATOM 1543 O THR A 100 89.733 -6.489 -8.623 1.00 0.00 O ATOM 1544 CB THR A 100 90.927 -3.624 -9.634 1.00 0.00 C ATOM 1545 OG1 THR A 100 90.539 -2.384 -10.210 1.00 0.00 O ATOM 1546 CG2 THR A 100 91.096 -4.667 -10.740 1.00 0.00 C ATOM 0 H THR A 100 90.572 -2.637 -7.322 1.00 0.00 H new ATOM 0 HA THR A 100 88.903 -4.114 -9.187 1.00 0.00 H new ATOM 0 HB THR A 100 91.870 -3.496 -9.103 1.00 0.00 H new ATOM 0 HG1 THR A 100 90.437 -1.713 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 100 91.862 -4.334 -11.441 1.00 0.00 H new ATOM 0 HG22 THR A 100 91.396 -5.618 -10.300 1.00 0.00 H new ATOM 0 HG23 THR A 100 90.151 -4.793 -11.268 1.00 0.00 H new ATOM 1554 N GLN A 101 91.058 -5.479 -7.101 1.00 0.00 N ATOM 1555 CA GLN A 101 91.471 -6.716 -6.470 1.00 0.00 C ATOM 1556 C GLN A 101 90.327 -7.220 -5.611 1.00 0.00 C ATOM 1557 O GLN A 101 90.101 -8.416 -5.513 1.00 0.00 O ATOM 1558 CB GLN A 101 92.715 -6.498 -5.605 1.00 0.00 C ATOM 1559 CG GLN A 101 93.141 -7.827 -4.981 1.00 0.00 C ATOM 1560 CD GLN A 101 92.609 -7.927 -3.556 1.00 0.00 C ATOM 1561 OE1 GLN A 101 91.832 -8.831 -3.244 1.00 0.00 O ATOM 1562 NE2 GLN A 101 92.982 -7.049 -2.665 1.00 0.00 N ATOM 0 H GLN A 101 91.463 -4.639 -6.689 1.00 0.00 H new ATOM 0 HA GLN A 101 91.721 -7.448 -7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.525 -6.092 -6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.504 -5.768 -4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 101 92.763 -8.657 -5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 101 94.228 -7.905 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 101 93.625 -6.301 -2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 101 92.630 -7.111 -1.710 1.00 0.00 H new ATOM 1571 N ALA A 102 89.587 -6.286 -5.013 1.00 0.00 N ATOM 1572 CA ALA A 102 88.441 -6.657 -4.194 1.00 0.00 C ATOM 1573 C ALA A 102 87.274 -6.991 -5.104 1.00 0.00 C ATOM 1574 O ALA A 102 86.495 -7.890 -4.819 1.00 0.00 O ATOM 1575 CB ALA A 102 88.054 -5.531 -3.237 1.00 0.00 C ATOM 0 H ALA A 102 89.759 -5.283 -5.080 1.00 0.00 H new ATOM 0 HA ALA A 102 88.706 -7.525 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 102 87.196 -5.840 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.893 -5.309 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.797 -4.640 -3.809 1.00 0.00 H new ATOM 1581 N GLU A 103 87.175 -6.283 -6.222 1.00 0.00 N ATOM 1582 CA GLU A 103 86.109 -6.562 -7.175 1.00 0.00 C ATOM 1583 C GLU A 103 86.349 -7.926 -7.791 1.00 0.00 C ATOM 1584 O GLU A 103 85.451 -8.765 -7.858 1.00 0.00 O ATOM 1585 CB GLU A 103 86.092 -5.523 -8.295 1.00 0.00 C ATOM 1586 CG GLU A 103 85.244 -6.043 -9.457 1.00 0.00 C ATOM 1587 CD GLU A 103 84.724 -4.874 -10.287 1.00 0.00 C ATOM 1588 OE1 GLU A 103 85.144 -3.757 -10.030 1.00 0.00 O ATOM 1589 OE2 GLU A 103 83.912 -5.112 -11.166 1.00 0.00 O ATOM 0 H GLU A 103 87.806 -5.527 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 103 85.155 -6.531 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.685 -4.581 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.108 -5.321 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 103 85.839 -6.708 -10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.408 -6.628 -9.074 1.00 0.00 H new ATOM 1596 N ARG A 104 87.583 -8.135 -8.238 1.00 0.00 N ATOM 1597 CA ARG A 104 87.957 -9.401 -8.853 1.00 0.00 C ATOM 1598 C ARG A 104 88.003 -10.517 -7.811 1.00 0.00 C ATOM 1599 O ARG A 104 87.583 -11.643 -8.081 1.00 0.00 O ATOM 1600 CB ARG A 104 89.323 -9.269 -9.535 1.00 0.00 C ATOM 1601 CG ARG A 104 89.471 -10.353 -10.608 1.00 0.00 C ATOM 1602 CD ARG A 104 90.741 -10.095 -11.421 1.00 0.00 C ATOM 1603 NE ARG A 104 90.811 -11.015 -12.552 1.00 0.00 N ATOM 1604 CZ ARG A 104 91.725 -10.865 -13.506 1.00 0.00 C ATOM 1605 NH1 ARG A 104 92.574 -9.875 -13.449 1.00 0.00 N ATOM 1606 NH2 ARG A 104 91.773 -11.707 -14.501 1.00 0.00 N ATOM 0 H ARG A 104 88.336 -7.449 -8.186 1.00 0.00 H new ATOM 0 HA ARG A 104 87.205 -9.656 -9.599 1.00 0.00 H new ATOM 0 HB2 ARG A 104 89.421 -8.282 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.119 -9.363 -8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 104 89.518 -11.337 -10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 104 88.600 -10.352 -11.264 1.00 0.00 H new ATOM 0 HD2 ARG A 104 90.749 -9.066 -11.779 1.00 0.00 H new ATOM 0 HD3 ARG A 104 91.619 -10.219 -10.787 1.00 0.00 H new ATOM 0 HE ARG A 104 90.147 -11.787 -12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 104 92.537 -9.215 -12.672 1.00 0.00 H new ATOM 0 HH12 ARG A 104 93.275 -9.761 -14.182 1.00 0.00 H new ATOM 0 HH21 ARG A 104 91.109 -12.480 -14.547 1.00 0.00 H new ATOM 0 HH22 ARG A 104 92.474 -11.592 -15.233 1.00 0.00 H new ATOM 1620 N SER A 105 88.521 -10.207 -6.624 1.00 0.00 N ATOM 1621 CA SER A 105 88.617 -11.211 -5.561 1.00 0.00 C ATOM 1622 C SER A 105 87.242 -11.539 -4.980 1.00 0.00 C ATOM 1623 O SER A 105 86.865 -12.707 -4.885 1.00 0.00 O ATOM 1624 CB SER A 105 89.531 -10.723 -4.437 1.00 0.00 C ATOM 1625 OG SER A 105 89.610 -11.722 -3.430 1.00 0.00 O ATOM 0 H SER A 105 88.876 -9.284 -6.374 1.00 0.00 H new ATOM 0 HA SER A 105 89.037 -12.113 -6.006 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.525 -10.506 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 105 89.145 -9.795 -4.015 1.00 0.00 H new ATOM 0 HG SER A 105 90.197 -11.413 -2.708 1.00 0.00 H new ATOM 1631 N ILE A 106 86.501 -10.509 -4.582 1.00 0.00 N ATOM 1632 CA ILE A 106 85.174 -10.723 -4.001 1.00 0.00 C ATOM 1633 C ILE A 106 84.309 -11.544 -4.951 1.00 0.00 C ATOM 1634 O ILE A 106 83.418 -12.275 -4.519 1.00 0.00 O ATOM 1635 CB ILE A 106 84.481 -9.385 -3.725 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.277 -8.591 -2.676 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.061 -9.645 -3.218 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.657 -8.772 -1.286 1.00 0.00 C ATOM 0 H ILE A 106 86.788 -9.532 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 106 85.301 -11.261 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 106 84.435 -8.803 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.314 -8.928 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.288 -7.534 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.565 -8.694 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.501 -10.197 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.104 -10.229 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.232 -8.204 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 106 83.628 -8.413 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 106 84.670 -9.828 -1.017 1.00 0.00 H new ATOM 1650 N GLU A 107 84.577 -11.420 -6.246 1.00 0.00 N ATOM 1651 CA GLU A 107 83.817 -12.157 -7.247 1.00 0.00 C ATOM 1652 C GLU A 107 84.011 -13.659 -7.072 1.00 0.00 C ATOM 1653 O GLU A 107 83.177 -14.458 -7.498 1.00 0.00 O ATOM 1654 CB GLU A 107 84.265 -11.742 -8.650 1.00 0.00 C ATOM 1655 CG GLU A 107 83.221 -10.807 -9.265 1.00 0.00 C ATOM 1656 CD GLU A 107 81.976 -11.597 -9.652 1.00 0.00 C ATOM 1657 OE1 GLU A 107 81.138 -11.806 -8.789 1.00 0.00 O ATOM 1658 OE2 GLU A 107 81.879 -11.986 -10.805 1.00 0.00 O ATOM 0 H GLU A 107 85.310 -10.820 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 107 82.760 -11.923 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 107 85.232 -11.242 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 107 84.393 -12.624 -9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 107 82.958 -10.024 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 107 83.636 -10.313 -10.144 1.00 0.00 H new ATOM 1665 N ARG A 108 85.117 -14.037 -6.442 1.00 0.00 N ATOM 1666 CA ARG A 108 85.414 -15.447 -6.213 1.00 0.00 C ATOM 1667 C ARG A 108 85.213 -16.254 -7.492 1.00 0.00 C ATOM 1668 O ARG A 108 84.361 -17.141 -7.552 1.00 0.00 O ATOM 1669 CB ARG A 108 84.505 -16.000 -5.111 1.00 0.00 C ATOM 1670 CG ARG A 108 84.785 -15.265 -3.799 1.00 0.00 C ATOM 1671 CD ARG A 108 85.613 -16.164 -2.877 1.00 0.00 C ATOM 1672 NE ARG A 108 86.915 -16.437 -3.476 1.00 0.00 N ATOM 1673 CZ ARG A 108 87.567 -17.566 -3.218 1.00 0.00 C ATOM 1674 NH1 ARG A 108 87.049 -18.450 -2.411 1.00 0.00 N ATOM 1675 NH2 ARG A 108 88.729 -17.788 -3.770 1.00 0.00 N ATOM 0 H ARG A 108 85.820 -13.391 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 108 86.456 -15.533 -5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 108 83.459 -15.877 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 108 84.678 -17.069 -4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 108 85.321 -14.337 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 108 83.847 -14.994 -3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 108 85.744 -15.682 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 108 85.083 -17.100 -2.698 1.00 0.00 H new ATOM 0 HE ARG A 108 87.332 -15.750 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.143 -18.275 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 108 87.550 -19.316 -2.214 1.00 0.00 H new ATOM 0 HH21 ARG A 108 89.136 -17.095 -4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 108 89.230 -18.654 -3.573 1.00 0.00 H new ATOM 1689 N GLY A 109 86.005 -15.940 -8.512 1.00 0.00 N ATOM 1690 CA GLY A 109 85.908 -16.644 -9.787 1.00 0.00 C ATOM 1691 C GLY A 109 87.289 -16.853 -10.399 1.00 0.00 C ATOM 1692 O GLY A 109 87.428 -16.958 -11.617 1.00 0.00 O ATOM 0 H GLY A 109 86.716 -15.209 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 109 85.422 -17.608 -9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 109 85.283 -16.074 -10.475 1.00 0.00 H new ATOM 1696 N VAL A 110 88.306 -16.912 -9.546 1.00 0.00 N ATOM 1697 CA VAL A 110 89.674 -17.107 -10.014 1.00 0.00 C ATOM 1698 C VAL A 110 89.882 -18.547 -10.472 1.00 0.00 C ATOM 1699 O VAL A 110 90.806 -19.175 -9.981 1.00 0.00 O ATOM 1700 CB VAL A 110 90.660 -16.776 -8.894 1.00 0.00 C ATOM 1701 CG1 VAL A 110 90.688 -15.264 -8.668 1.00 0.00 C ATOM 1702 CG2 VAL A 110 90.221 -17.475 -7.605 1.00 0.00 C ATOM 1703 OXT VAL A 110 89.118 -18.999 -11.306 1.00 0.00 O ATOM 0 H VAL A 110 88.211 -16.828 -8.534 1.00 0.00 H new ATOM 0 HA VAL A 110 89.849 -16.441 -10.859 1.00 0.00 H new ATOM 0 HB VAL A 110 91.656 -17.120 -9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.391 -15.028 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 110 91.000 -14.765 -9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 110 89.692 -14.919 -8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.924 -17.239 -6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 110 89.225 -17.131 -7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 110 90.201 -18.553 -7.764 1.00 0.00 H new TER 1713 VAL A 110