USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 615 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 57 SER OG : rot -88:sc= -0.481 USER MOD Set 1.2: A 59 MET CE :methyl 178:sc= 0 (180deg=-0.00487) USER MOD Set 2.1: A 40 MET CE :methyl -108:sc= -4.3 (180deg=-10.6!) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= -0.368 USER MOD Set 3.1: A 23 ASN : amide:sc= -5.27! C(o=-8.3!,f=-14!) USER MOD Set 3.2: A 24 GLN : amide:sc= -3.05! C(o=-8.3!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.113 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -120:sc= -0.0167 USER MOD Single : A 10 HIS : no HD1:sc= -2.43 X(o=-2.4,f=-2.7) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= -0.396 (180deg=-1.98!) USER MOD Single : A 27 GLN : amide:sc= -0.238 K(o=-0.24,f=-2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 150:sc= -0.555 (180deg=-2.41!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 81:sc= 0.896 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.6!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.0606 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.774 -15.068 -10.763 1.00 0.00 N ATOM 2 CA GLY A 1 -13.809 -14.687 -11.781 1.00 0.00 C ATOM 3 C GLY A 1 -12.550 -14.091 -11.148 1.00 0.00 C ATOM 4 O GLY A 1 -12.487 -13.914 -9.932 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.813 -16.105 -10.693 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.487 -14.669 -9.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.713 -14.703 -11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.542 -15.559 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.258 -13.961 -12.459 1.00 0.00 H new ATOM 8 N SER A 2 -11.579 -13.798 -12.001 1.00 0.00 N ATOM 9 CA SER A 2 -10.326 -13.226 -11.540 1.00 0.00 C ATOM 10 C SER A 2 -10.509 -11.737 -11.240 1.00 0.00 C ATOM 11 O SER A 2 -10.478 -10.909 -12.149 1.00 0.00 O ATOM 12 CB SER A 2 -9.216 -13.427 -12.573 1.00 0.00 C ATOM 13 OG SER A 2 -8.931 -14.806 -12.790 1.00 0.00 O ATOM 0 H SER A 2 -11.635 -13.946 -13.009 1.00 0.00 H new ATOM 0 HA SER A 2 -10.031 -13.740 -10.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.510 -12.965 -13.515 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.312 -12.919 -12.237 1.00 0.00 H new ATOM 0 HG SER A 2 -8.218 -14.892 -13.457 1.00 0.00 H new ATOM 19 N SER A 3 -10.696 -11.442 -9.962 1.00 0.00 N ATOM 20 CA SER A 3 -10.884 -10.067 -9.531 1.00 0.00 C ATOM 21 C SER A 3 -10.098 -9.809 -8.245 1.00 0.00 C ATOM 22 O SER A 3 -10.392 -10.397 -7.205 1.00 0.00 O ATOM 23 CB SER A 3 -12.367 -9.754 -9.318 1.00 0.00 C ATOM 24 OG SER A 3 -12.847 -8.786 -10.247 1.00 0.00 O ATOM 0 H SER A 3 -10.721 -12.132 -9.211 1.00 0.00 H new ATOM 0 HA SER A 3 -10.510 -9.409 -10.316 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.949 -10.671 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.518 -9.388 -8.302 1.00 0.00 H new ATOM 0 HG SER A 3 -13.797 -8.615 -10.079 1.00 0.00 H new ATOM 30 N GLY A 4 -9.113 -8.930 -8.357 1.00 0.00 N ATOM 31 CA GLY A 4 -8.282 -8.587 -7.216 1.00 0.00 C ATOM 32 C GLY A 4 -7.059 -7.776 -7.651 1.00 0.00 C ATOM 33 O GLY A 4 -7.071 -7.150 -8.710 1.00 0.00 O ATOM 0 H GLY A 4 -8.872 -8.445 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.866 -8.013 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.958 -9.497 -6.711 1.00 0.00 H new ATOM 37 N SER A 5 -6.034 -7.815 -6.813 1.00 0.00 N ATOM 38 CA SER A 5 -4.807 -7.091 -7.098 1.00 0.00 C ATOM 39 C SER A 5 -5.075 -5.585 -7.095 1.00 0.00 C ATOM 40 O SER A 5 -5.985 -5.112 -7.774 1.00 0.00 O ATOM 41 CB SER A 5 -4.212 -7.523 -8.440 1.00 0.00 C ATOM 42 OG SER A 5 -2.850 -7.126 -8.572 1.00 0.00 O ATOM 0 H SER A 5 -6.028 -8.337 -5.936 1.00 0.00 H new ATOM 0 HA SER A 5 -4.082 -7.325 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.285 -8.606 -8.537 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.796 -7.090 -9.252 1.00 0.00 H new ATOM 0 HG SER A 5 -2.506 -7.421 -9.441 1.00 0.00 H new ATOM 48 N SER A 6 -4.265 -4.873 -6.325 1.00 0.00 N ATOM 49 CA SER A 6 -4.403 -3.430 -6.225 1.00 0.00 C ATOM 50 C SER A 6 -3.220 -2.743 -6.910 1.00 0.00 C ATOM 51 O SER A 6 -2.237 -3.394 -7.260 1.00 0.00 O ATOM 52 CB SER A 6 -4.502 -2.986 -4.765 1.00 0.00 C ATOM 53 OG SER A 6 -5.692 -2.243 -4.512 1.00 0.00 O ATOM 0 H SER A 6 -3.511 -5.269 -5.764 1.00 0.00 H new ATOM 0 HA SER A 6 -5.325 -3.139 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.477 -3.862 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.634 -2.377 -4.512 1.00 0.00 H new ATOM 0 HG SER A 6 -5.457 -1.348 -4.190 1.00 0.00 H new ATOM 59 N GLY A 7 -3.354 -1.436 -7.081 1.00 0.00 N ATOM 60 CA GLY A 7 -2.309 -0.653 -7.718 1.00 0.00 C ATOM 61 C GLY A 7 -1.211 -0.288 -6.716 1.00 0.00 C ATOM 62 O GLY A 7 -0.923 0.890 -6.507 1.00 0.00 O ATOM 0 H GLY A 7 -4.171 -0.899 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.879 -1.218 -8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.737 0.256 -8.141 1.00 0.00 H new ATOM 66 N LEU A 8 -0.627 -1.320 -6.124 1.00 0.00 N ATOM 67 CA LEU A 8 0.433 -1.122 -5.150 1.00 0.00 C ATOM 68 C LEU A 8 1.677 -1.894 -5.594 1.00 0.00 C ATOM 69 O LEU A 8 2.780 -1.350 -5.599 1.00 0.00 O ATOM 70 CB LEU A 8 -0.053 -1.492 -3.747 1.00 0.00 C ATOM 71 CG LEU A 8 -0.752 -0.378 -2.965 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.955 0.164 -3.738 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.139 -0.853 -1.563 1.00 0.00 C ATOM 0 H LEU A 8 -0.868 -2.295 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 8 0.712 -0.070 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.739 -2.335 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.803 -1.835 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.050 0.447 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.433 0.954 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.622 0.566 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.669 -0.641 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.634 -0.043 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.816 -1.703 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.243 -1.152 -1.020 1.00 0.00 H new ATOM 85 N ASP A 9 1.458 -3.150 -5.955 1.00 0.00 N ATOM 86 CA ASP A 9 2.548 -4.002 -6.399 1.00 0.00 C ATOM 87 C ASP A 9 3.370 -3.262 -7.456 1.00 0.00 C ATOM 88 O ASP A 9 4.581 -3.456 -7.553 1.00 0.00 O ATOM 89 CB ASP A 9 2.017 -5.291 -7.030 1.00 0.00 C ATOM 90 CG ASP A 9 1.015 -6.066 -6.172 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.154 -5.626 -6.129 1.00 0.00 O ATOM 92 OD2 ASP A 9 1.441 -7.080 -5.579 1.00 0.00 O ATOM 0 H ASP A 9 0.542 -3.598 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 9 3.158 -4.250 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.544 -5.044 -7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.861 -5.943 -7.254 1.00 0.00 H new ATOM 97 N HIS A 10 2.680 -2.429 -8.221 1.00 0.00 N ATOM 98 CA HIS A 10 3.331 -1.658 -9.266 1.00 0.00 C ATOM 99 C HIS A 10 4.126 -0.511 -8.640 1.00 0.00 C ATOM 100 O HIS A 10 5.220 -0.186 -9.099 1.00 0.00 O ATOM 101 CB HIS A 10 2.313 -1.178 -10.302 1.00 0.00 C ATOM 102 CG HIS A 10 1.702 0.167 -9.984 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.660 0.324 -9.088 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.999 1.413 -10.452 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.350 1.611 -9.027 1.00 0.00 C ATOM 106 NE2 HIS A 10 1.181 2.284 -9.874 1.00 0.00 N ATOM 0 H HIS A 10 1.676 -2.271 -8.138 1.00 0.00 H new ATOM 0 HA HIS A 10 4.037 -2.292 -9.803 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.799 -1.124 -11.276 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.516 -1.918 -10.384 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.769 1.651 -11.171 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.424 2.050 -8.415 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.175 3.291 -10.036 1.00 0.00 H new ATOM 114 N ILE A 11 3.545 0.070 -7.600 1.00 0.00 N ATOM 115 CA ILE A 11 4.186 1.174 -6.906 1.00 0.00 C ATOM 116 C ILE A 11 5.576 0.739 -6.438 1.00 0.00 C ATOM 117 O ILE A 11 5.797 -0.435 -6.146 1.00 0.00 O ATOM 118 CB ILE A 11 3.290 1.689 -5.777 1.00 0.00 C ATOM 119 CG1 ILE A 11 2.169 2.572 -6.326 1.00 0.00 C ATOM 120 CG2 ILE A 11 4.115 2.407 -4.707 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.511 3.382 -5.207 1.00 0.00 C ATOM 0 H ILE A 11 2.638 -0.203 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 11 4.327 2.018 -7.581 1.00 0.00 H new ATOM 0 HB ILE A 11 2.818 0.832 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.570 3.248 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.421 1.951 -6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.454 2.763 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.845 1.716 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.634 3.254 -5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.717 4.001 -5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.089 2.703 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.257 4.019 -4.732 1.00 0.00 H new ATOM 133 N THR A 12 6.477 1.709 -6.381 1.00 0.00 N ATOM 134 CA THR A 12 7.839 1.441 -5.954 1.00 0.00 C ATOM 135 C THR A 12 8.122 2.124 -4.615 1.00 0.00 C ATOM 136 O THR A 12 7.686 3.251 -4.384 1.00 0.00 O ATOM 137 CB THR A 12 8.782 1.885 -7.074 1.00 0.00 C ATOM 138 OG1 THR A 12 8.070 1.577 -8.270 1.00 0.00 O ATOM 139 CG2 THR A 12 10.041 1.019 -7.157 1.00 0.00 C ATOM 0 H THR A 12 6.290 2.682 -6.624 1.00 0.00 H new ATOM 0 HA THR A 12 7.997 0.377 -5.780 1.00 0.00 H new ATOM 0 HB THR A 12 9.066 2.926 -6.918 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.609 1.834 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.676 1.377 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.587 1.079 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.758 -0.016 -7.347 1.00 0.00 H new ATOM 147 N VAL A 13 8.852 1.414 -3.767 1.00 0.00 N ATOM 148 CA VAL A 13 9.199 1.938 -2.457 1.00 0.00 C ATOM 149 C VAL A 13 10.703 2.213 -2.404 1.00 0.00 C ATOM 150 O VAL A 13 11.492 1.482 -3.001 1.00 0.00 O ATOM 151 CB VAL A 13 8.729 0.973 -1.366 1.00 0.00 C ATOM 152 CG1 VAL A 13 9.147 1.467 0.020 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.215 0.759 -1.439 1.00 0.00 C ATOM 0 H VAL A 13 9.213 0.480 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 13 8.689 2.884 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 13 9.212 0.011 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.801 0.763 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.233 1.544 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.705 2.446 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.907 0.069 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.706 1.713 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.953 0.342 -2.411 1.00 0.00 H new ATOM 163 N VAL A 14 11.054 3.268 -1.684 1.00 0.00 N ATOM 164 CA VAL A 14 12.450 3.648 -1.545 1.00 0.00 C ATOM 165 C VAL A 14 13.054 2.925 -0.339 1.00 0.00 C ATOM 166 O VAL A 14 12.650 3.164 0.798 1.00 0.00 O ATOM 167 CB VAL A 14 12.571 5.170 -1.452 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.869 5.575 -0.750 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.472 5.814 -2.836 1.00 0.00 C ATOM 0 H VAL A 14 10.396 3.872 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 14 13.018 3.343 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 14 11.738 5.536 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.930 6.662 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.882 5.161 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.721 5.191 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.561 6.896 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.275 5.438 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.510 5.567 -3.284 1.00 0.00 H new ATOM 179 N THR A 15 14.011 2.056 -0.629 1.00 0.00 N ATOM 180 CA THR A 15 14.674 1.298 0.418 1.00 0.00 C ATOM 181 C THR A 15 16.189 1.504 0.348 1.00 0.00 C ATOM 182 O THR A 15 16.676 2.276 -0.476 1.00 0.00 O ATOM 183 CB THR A 15 14.254 -0.167 0.279 1.00 0.00 C ATOM 184 OG1 THR A 15 14.694 -0.532 -1.027 1.00 0.00 O ATOM 185 CG2 THR A 15 12.735 -0.337 0.221 1.00 0.00 C ATOM 0 H THR A 15 14.343 1.860 -1.573 1.00 0.00 H new ATOM 0 HA THR A 15 14.375 1.645 1.407 1.00 0.00 H new ATOM 0 HB THR A 15 14.652 -0.740 1.117 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.463 -1.469 -1.200 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.491 -1.395 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.290 0.054 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.340 0.208 -0.637 1.00 0.00 H new ATOM 193 N ALA A 16 16.891 0.801 1.225 1.00 0.00 N ATOM 194 CA ALA A 16 18.340 0.898 1.273 1.00 0.00 C ATOM 195 C ALA A 16 18.904 0.743 -0.140 1.00 0.00 C ATOM 196 O ALA A 16 19.516 1.668 -0.673 1.00 0.00 O ATOM 197 CB ALA A 16 18.890 -0.154 2.239 1.00 0.00 C ATOM 0 H ALA A 16 16.483 0.162 1.908 1.00 0.00 H new ATOM 0 HA ALA A 16 18.647 1.875 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.977 -0.082 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.481 0.017 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.604 -1.148 1.896 1.00 0.00 H new ATOM 203 N ASP A 17 18.679 -0.433 -0.708 1.00 0.00 N ATOM 204 CA ASP A 17 19.158 -0.720 -2.050 1.00 0.00 C ATOM 205 C ASP A 17 18.829 0.459 -2.967 1.00 0.00 C ATOM 206 O ASP A 17 19.714 1.002 -3.627 1.00 0.00 O ATOM 207 CB ASP A 17 18.480 -1.967 -2.621 1.00 0.00 C ATOM 208 CG ASP A 17 19.431 -2.997 -3.234 1.00 0.00 C ATOM 209 OD1 ASP A 17 20.598 -3.028 -2.786 1.00 0.00 O ATOM 210 OD2 ASP A 17 18.970 -3.729 -4.136 1.00 0.00 O ATOM 0 H ASP A 17 18.171 -1.198 -0.264 1.00 0.00 H new ATOM 0 HA ASP A 17 20.234 -0.887 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 17 17.910 -2.449 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 17 17.765 -1.657 -3.383 1.00 0.00 H new ATOM 215 N GLY A 18 17.554 0.821 -2.980 1.00 0.00 N ATOM 216 CA GLY A 18 17.098 1.926 -3.805 1.00 0.00 C ATOM 217 C GLY A 18 15.573 1.922 -3.933 1.00 0.00 C ATOM 218 O GLY A 18 14.868 2.316 -3.006 1.00 0.00 O ATOM 0 H GLY A 18 16.823 0.368 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.427 2.870 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.550 1.856 -4.795 1.00 0.00 H new ATOM 222 N LYS A 19 15.109 1.471 -5.089 1.00 0.00 N ATOM 223 CA LYS A 19 13.681 1.410 -5.350 1.00 0.00 C ATOM 224 C LYS A 19 13.276 -0.042 -5.607 1.00 0.00 C ATOM 225 O LYS A 19 13.867 -0.717 -6.448 1.00 0.00 O ATOM 226 CB LYS A 19 13.303 2.364 -6.485 1.00 0.00 C ATOM 227 CG LYS A 19 12.902 3.736 -5.938 1.00 0.00 C ATOM 228 CD LYS A 19 11.430 3.751 -5.522 1.00 0.00 C ATOM 229 CE LYS A 19 10.790 5.108 -5.820 1.00 0.00 C ATOM 230 NZ LYS A 19 11.068 5.517 -7.215 1.00 0.00 N ATOM 0 H LYS A 19 15.697 1.144 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 19 13.119 1.749 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.145 2.473 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.478 1.942 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.528 3.987 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.077 4.499 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.891 2.966 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.347 3.532 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.713 5.052 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.177 5.858 -5.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.255 6.047 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.915 6.121 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.230 4.672 -7.799 1.00 0.00 H new ATOM 244 N VAL A 20 12.269 -0.482 -4.866 1.00 0.00 N ATOM 245 CA VAL A 20 11.777 -1.842 -5.003 1.00 0.00 C ATOM 246 C VAL A 20 10.256 -1.816 -5.167 1.00 0.00 C ATOM 247 O VAL A 20 9.624 -0.780 -4.963 1.00 0.00 O ATOM 248 CB VAL A 20 12.235 -2.686 -3.812 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.761 -2.703 -3.706 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.601 -2.189 -2.511 1.00 0.00 C ATOM 0 H VAL A 20 11.781 0.080 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 20 12.192 -2.310 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 20 11.899 -3.710 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.060 -3.310 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.184 -3.126 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.128 -1.685 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.943 -2.806 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.892 -1.153 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.516 -2.253 -2.587 1.00 0.00 H new ATOM 260 N ALA A 21 9.712 -2.967 -5.535 1.00 0.00 N ATOM 261 CA ALA A 21 8.278 -3.089 -5.729 1.00 0.00 C ATOM 262 C ALA A 21 7.598 -3.277 -4.371 1.00 0.00 C ATOM 263 O ALA A 21 8.129 -3.959 -3.496 1.00 0.00 O ATOM 264 CB ALA A 21 7.989 -4.243 -6.691 1.00 0.00 C ATOM 0 H ALA A 21 10.239 -3.824 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 21 7.873 -2.182 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.913 -4.335 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.469 -4.047 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.379 -5.171 -6.273 1.00 0.00 H new ATOM 270 N LEU A 22 6.432 -2.661 -4.238 1.00 0.00 N ATOM 271 CA LEU A 22 5.674 -2.753 -3.002 1.00 0.00 C ATOM 272 C LEU A 22 5.442 -4.226 -2.659 1.00 0.00 C ATOM 273 O LEU A 22 5.165 -4.563 -1.509 1.00 0.00 O ATOM 274 CB LEU A 22 4.385 -1.934 -3.102 1.00 0.00 C ATOM 275 CG LEU A 22 4.163 -0.896 -2.000 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.752 -0.309 -2.077 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.464 -1.487 -0.621 1.00 0.00 C ATOM 0 H LEU A 22 5.994 -2.096 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 22 6.237 -2.318 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.378 -1.421 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.540 -2.622 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 22 4.863 -0.075 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.620 0.426 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.611 0.173 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.019 -1.107 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.298 -0.728 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.806 -2.337 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.502 -1.817 -0.585 1.00 0.00 H new ATOM 289 N ASN A 23 5.564 -5.064 -3.678 1.00 0.00 N ATOM 290 CA ASN A 23 5.371 -6.493 -3.499 1.00 0.00 C ATOM 291 C ASN A 23 6.725 -7.158 -3.242 1.00 0.00 C ATOM 292 O ASN A 23 6.913 -8.332 -3.555 1.00 0.00 O ATOM 293 CB ASN A 23 4.762 -7.128 -4.750 1.00 0.00 C ATOM 294 CG ASN A 23 5.457 -6.621 -6.016 1.00 0.00 C ATOM 295 OD1 ASN A 23 5.261 -5.501 -6.457 1.00 0.00 O ATOM 296 ND2 ASN A 23 6.279 -7.506 -6.572 1.00 0.00 N ATOM 0 H ASN A 23 5.794 -4.781 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 23 4.696 -6.639 -2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.851 -8.213 -4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.698 -6.898 -4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.792 -7.264 -7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.397 -8.427 -6.151 1.00 0.00 H new ATOM 303 N GLN A 24 7.633 -6.378 -2.675 1.00 0.00 N ATOM 304 CA GLN A 24 8.964 -6.876 -2.373 1.00 0.00 C ATOM 305 C GLN A 24 9.263 -6.720 -0.881 1.00 0.00 C ATOM 306 O GLN A 24 9.597 -7.692 -0.206 1.00 0.00 O ATOM 307 CB GLN A 24 10.021 -6.166 -3.221 1.00 0.00 C ATOM 308 CG GLN A 24 9.656 -6.215 -4.706 1.00 0.00 C ATOM 309 CD GLN A 24 9.526 -7.661 -5.191 1.00 0.00 C ATOM 310 OE1 GLN A 24 8.450 -8.142 -5.507 1.00 0.00 O ATOM 311 NE2 GLN A 24 10.678 -8.324 -5.232 1.00 0.00 N ATOM 0 H GLN A 24 7.473 -5.404 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 24 8.999 -7.937 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.113 -5.129 -2.900 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.992 -6.636 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.717 -5.686 -4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.419 -5.699 -5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.543 -7.861 -4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.697 -9.296 -5.542 1.00 0.00 H new ATOM 320 N ILE A 25 9.133 -5.488 -0.409 1.00 0.00 N ATOM 321 CA ILE A 25 9.385 -5.192 0.991 1.00 0.00 C ATOM 322 C ILE A 25 8.234 -5.737 1.838 1.00 0.00 C ATOM 323 O ILE A 25 8.427 -6.091 3.001 1.00 0.00 O ATOM 324 CB ILE A 25 9.637 -3.696 1.185 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.352 -2.892 0.975 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.772 -3.209 0.282 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.582 -1.406 1.259 1.00 0.00 C ATOM 0 H ILE A 25 8.856 -4.684 -0.972 1.00 0.00 H new ATOM 0 HA ILE A 25 10.293 -5.691 1.329 1.00 0.00 H new ATOM 0 HB ILE A 25 9.954 -3.534 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.002 -3.020 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.569 -3.274 1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.930 -2.142 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.687 -3.751 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.509 -3.386 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.653 -0.858 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.909 -1.279 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.348 -1.021 0.586 1.00 0.00 H new ATOM 339 N GLY A 26 7.061 -5.789 1.223 1.00 0.00 N ATOM 340 CA GLY A 26 5.879 -6.285 1.907 1.00 0.00 C ATOM 341 C GLY A 26 5.049 -7.182 0.986 1.00 0.00 C ATOM 342 O GLY A 26 5.002 -6.962 -0.223 1.00 0.00 O ATOM 0 H GLY A 26 6.904 -5.496 0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.176 -6.844 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.272 -5.446 2.247 1.00 0.00 H new ATOM 346 N GLN A 27 4.415 -8.174 1.594 1.00 0.00 N ATOM 347 CA GLN A 27 3.590 -9.106 0.844 1.00 0.00 C ATOM 348 C GLN A 27 2.138 -8.626 0.818 1.00 0.00 C ATOM 349 O GLN A 27 1.465 -8.614 1.848 1.00 0.00 O ATOM 350 CB GLN A 27 3.691 -10.518 1.424 1.00 0.00 C ATOM 351 CG GLN A 27 4.234 -11.500 0.385 1.00 0.00 C ATOM 352 CD GLN A 27 3.113 -12.375 -0.181 1.00 0.00 C ATOM 353 OE1 GLN A 27 1.936 -12.138 0.036 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.543 -13.396 -0.917 1.00 0.00 N ATOM 0 H GLN A 27 4.456 -8.353 2.597 1.00 0.00 H new ATOM 0 HA GLN A 27 3.958 -9.144 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.343 -10.510 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.708 -10.847 1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.715 -10.950 -0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.998 -12.131 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.543 -13.537 -1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.873 -14.038 -1.340 1.00 0.00 H new ATOM 363 N ILE A 28 1.696 -8.241 -0.371 1.00 0.00 N ATOM 364 CA ILE A 28 0.336 -7.762 -0.545 1.00 0.00 C ATOM 365 C ILE A 28 -0.617 -8.957 -0.615 1.00 0.00 C ATOM 366 O ILE A 28 -0.395 -9.887 -1.388 1.00 0.00 O ATOM 367 CB ILE A 28 0.246 -6.832 -1.756 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.043 -5.547 -1.522 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.212 -6.544 -2.120 1.00 0.00 C ATOM 370 CD1 ILE A 28 1.793 -5.128 -2.788 1.00 0.00 C ATOM 0 H ILE A 28 2.257 -8.251 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 28 0.032 -7.161 0.312 1.00 0.00 H new ATOM 0 HB ILE A 28 0.696 -7.339 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.369 -4.748 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.752 -5.698 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.247 -5.881 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.719 -7.479 -2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.710 -6.067 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.351 -4.212 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.484 -5.919 -3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.079 -4.954 -3.593 1.00 0.00 H new ATOM 382 N SER A 29 -1.657 -8.892 0.203 1.00 0.00 N ATOM 383 CA SER A 29 -2.644 -9.958 0.243 1.00 0.00 C ATOM 384 C SER A 29 -4.029 -9.378 0.539 1.00 0.00 C ATOM 385 O SER A 29 -4.337 -9.049 1.684 1.00 0.00 O ATOM 386 CB SER A 29 -2.276 -11.011 1.290 1.00 0.00 C ATOM 387 OG SER A 29 -2.909 -12.262 1.035 1.00 0.00 O ATOM 0 H SER A 29 -1.838 -8.119 0.843 1.00 0.00 H new ATOM 0 HA SER A 29 -2.661 -10.445 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.195 -11.148 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.563 -10.654 2.279 1.00 0.00 H new ATOM 0 HG SER A 29 -2.647 -12.908 1.724 1.00 0.00 H new ATOM 393 N MET A 30 -4.827 -9.270 -0.513 1.00 0.00 N ATOM 394 CA MET A 30 -6.172 -8.735 -0.381 1.00 0.00 C ATOM 395 C MET A 30 -7.071 -9.699 0.396 1.00 0.00 C ATOM 396 O MET A 30 -7.768 -10.519 -0.199 1.00 0.00 O ATOM 397 CB MET A 30 -6.764 -8.491 -1.770 1.00 0.00 C ATOM 398 CG MET A 30 -7.049 -7.004 -1.992 1.00 0.00 C ATOM 399 SD MET A 30 -8.759 -6.772 -2.448 1.00 0.00 S ATOM 400 CE MET A 30 -9.102 -5.242 -1.595 1.00 0.00 C ATOM 0 H MET A 30 -4.568 -9.544 -1.461 1.00 0.00 H new ATOM 0 HA MET A 30 -6.117 -7.796 0.169 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.072 -8.850 -2.532 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.686 -9.062 -1.882 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.827 -6.443 -1.084 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.399 -6.614 -2.775 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.861 -4.683 -2.142 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.465 -5.459 -0.590 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.190 -4.649 -1.531 1.00 0.00 H new ATOM 410 N LYS A 31 -7.026 -9.567 1.714 1.00 0.00 N ATOM 411 CA LYS A 31 -7.829 -10.417 2.578 1.00 0.00 C ATOM 412 C LYS A 31 -9.178 -9.744 2.837 1.00 0.00 C ATOM 413 O LYS A 31 -10.202 -10.417 2.941 1.00 0.00 O ATOM 414 CB LYS A 31 -7.059 -10.762 3.854 1.00 0.00 C ATOM 415 CG LYS A 31 -7.944 -11.531 4.837 1.00 0.00 C ATOM 416 CD LYS A 31 -7.908 -13.033 4.549 1.00 0.00 C ATOM 417 CE LYS A 31 -6.540 -13.625 4.893 1.00 0.00 C ATOM 418 NZ LYS A 31 -6.643 -14.519 6.068 1.00 0.00 N ATOM 0 H LYS A 31 -6.447 -8.885 2.204 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.036 -11.370 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.183 -11.360 3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.697 -9.847 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.608 -11.345 5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.970 -11.169 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.682 -13.537 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.131 -13.211 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.152 -14.180 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.832 -12.823 5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.706 -14.912 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.993 -13.979 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.303 -15.295 5.857 1.00 0.00 H new ATOM 432 N SER A 32 -9.136 -8.423 2.933 1.00 0.00 N ATOM 433 CA SER A 32 -10.342 -7.651 3.178 1.00 0.00 C ATOM 434 C SER A 32 -11.035 -7.328 1.852 1.00 0.00 C ATOM 435 O SER A 32 -10.523 -7.658 0.784 1.00 0.00 O ATOM 436 CB SER A 32 -10.027 -6.363 3.940 1.00 0.00 C ATOM 437 OG SER A 32 -8.672 -6.319 4.378 1.00 0.00 O ATOM 0 H SER A 32 -8.285 -7.868 2.845 1.00 0.00 H new ATOM 0 HA SER A 32 -11.012 -8.250 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.229 -5.504 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.689 -6.281 4.802 1.00 0.00 H new ATOM 0 HG SER A 32 -8.098 -6.032 3.637 1.00 0.00 H new ATOM 443 N PRO A 33 -12.219 -6.669 1.968 1.00 0.00 N ATOM 444 CA PRO A 33 -12.987 -6.298 0.792 1.00 0.00 C ATOM 445 C PRO A 33 -12.352 -5.103 0.078 1.00 0.00 C ATOM 446 O PRO A 33 -12.062 -5.171 -1.116 1.00 0.00 O ATOM 447 CB PRO A 33 -14.385 -6.006 1.311 1.00 0.00 C ATOM 448 CG PRO A 33 -14.234 -5.772 2.805 1.00 0.00 C ATOM 449 CD PRO A 33 -12.856 -6.262 3.217 1.00 0.00 C ATOM 0 HA PRO A 33 -13.013 -7.087 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.809 -5.131 0.819 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.058 -6.840 1.112 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.348 -4.714 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.009 -6.306 3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.288 -5.475 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.925 -7.095 3.916 1.00 0.00 H new ATOM 457 N GLN A 34 -12.155 -4.036 0.838 1.00 0.00 N ATOM 458 CA GLN A 34 -11.560 -2.828 0.293 1.00 0.00 C ATOM 459 C GLN A 34 -10.408 -2.356 1.182 1.00 0.00 C ATOM 460 O GLN A 34 -10.260 -1.160 1.430 1.00 0.00 O ATOM 461 CB GLN A 34 -12.609 -1.727 0.125 1.00 0.00 C ATOM 462 CG GLN A 34 -13.338 -1.864 -1.213 1.00 0.00 C ATOM 463 CD GLN A 34 -14.706 -1.180 -1.165 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.704 -1.757 -0.767 1.00 0.00 O ATOM 465 NE2 GLN A 34 -14.696 0.080 -1.593 1.00 0.00 N ATOM 0 H GLN A 34 -12.397 -3.983 1.827 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.161 -3.057 -0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.329 -1.778 0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.129 -0.750 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.735 -1.423 -2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.463 -2.919 -1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.825 0.503 -1.913 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.560 0.623 -1.601 1.00 0.00 H new ATOM 474 N VAL A 35 -9.621 -3.319 1.638 1.00 0.00 N ATOM 475 CA VAL A 35 -8.486 -3.017 2.494 1.00 0.00 C ATOM 476 C VAL A 35 -7.372 -4.033 2.235 1.00 0.00 C ATOM 477 O VAL A 35 -7.514 -5.211 2.556 1.00 0.00 O ATOM 478 CB VAL A 35 -8.931 -2.978 3.958 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.756 -3.263 4.895 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.590 -1.639 4.295 1.00 0.00 C ATOM 0 H VAL A 35 -9.747 -4.310 1.431 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.085 -2.030 2.263 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.674 -3.762 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.099 -3.229 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.350 -4.251 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.981 -2.512 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.897 -1.638 5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.879 -0.830 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.464 -1.494 3.660 1.00 0.00 H new ATOM 490 N ILE A 36 -6.288 -3.538 1.656 1.00 0.00 N ATOM 491 CA ILE A 36 -5.150 -4.388 1.349 1.00 0.00 C ATOM 492 C ILE A 36 -4.285 -4.546 2.602 1.00 0.00 C ATOM 493 O ILE A 36 -4.192 -3.629 3.416 1.00 0.00 O ATOM 494 CB ILE A 36 -4.386 -3.845 0.140 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.316 -3.670 -1.062 1.00 0.00 C ATOM 496 CG2 ILE A 36 -3.183 -4.731 -0.192 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.823 -2.229 -1.157 1.00 0.00 C ATOM 0 H ILE A 36 -6.174 -2.560 1.391 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.485 -5.385 1.064 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.999 -2.859 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.787 -3.934 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.162 -4.352 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.657 -4.323 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.507 -4.762 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.526 -5.740 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.482 -2.131 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.372 -1.976 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.976 -1.552 -1.269 1.00 0.00 H new ATOM 509 N LEU A 37 -3.674 -5.716 2.716 1.00 0.00 N ATOM 510 CA LEU A 37 -2.820 -6.007 3.856 1.00 0.00 C ATOM 511 C LEU A 37 -1.422 -6.376 3.358 1.00 0.00 C ATOM 512 O LEU A 37 -1.254 -7.361 2.640 1.00 0.00 O ATOM 513 CB LEU A 37 -3.459 -7.075 4.745 1.00 0.00 C ATOM 514 CG LEU A 37 -4.750 -6.669 5.459 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.382 -7.867 6.172 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.504 -5.499 6.413 1.00 0.00 C ATOM 0 H LEU A 37 -3.753 -6.474 2.038 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.711 -5.125 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.666 -7.953 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.730 -7.376 5.498 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.463 -6.328 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.298 -7.551 6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.615 -8.643 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.684 -8.261 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.437 -5.230 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.767 -5.789 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.132 -4.643 5.850 1.00 0.00 H new ATOM 528 N VAL A 38 -0.452 -5.567 3.760 1.00 0.00 N ATOM 529 CA VAL A 38 0.927 -5.797 3.364 1.00 0.00 C ATOM 530 C VAL A 38 1.753 -6.165 4.598 1.00 0.00 C ATOM 531 O VAL A 38 1.968 -5.331 5.477 1.00 0.00 O ATOM 532 CB VAL A 38 1.470 -4.573 2.625 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.837 -4.868 2.006 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.480 -4.090 1.563 1.00 0.00 C ATOM 0 H VAL A 38 -0.594 -4.751 4.356 1.00 0.00 H new ATOM 0 HA VAL A 38 0.990 -6.634 2.669 1.00 0.00 H new ATOM 0 HB VAL A 38 1.598 -3.772 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.200 -3.981 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.541 -5.142 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.746 -5.691 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.890 -3.219 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.306 -4.886 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.462 -3.820 2.040 1.00 0.00 H new ATOM 544 N ASN A 39 2.192 -7.414 4.626 1.00 0.00 N ATOM 545 CA ASN A 39 2.990 -7.903 5.738 1.00 0.00 C ATOM 546 C ASN A 39 4.442 -7.457 5.553 1.00 0.00 C ATOM 547 O ASN A 39 5.097 -7.848 4.588 1.00 0.00 O ATOM 548 CB ASN A 39 2.969 -9.432 5.801 1.00 0.00 C ATOM 549 CG ASN A 39 3.425 -9.930 7.173 1.00 0.00 C ATOM 550 OD1 ASN A 39 3.204 -9.302 8.196 1.00 0.00 O ATOM 551 ND2 ASN A 39 4.073 -11.091 7.139 1.00 0.00 N ATOM 0 H ASN A 39 2.010 -8.103 3.896 1.00 0.00 H new ATOM 0 HA ASN A 39 2.569 -7.499 6.659 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.962 -9.794 5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.619 -9.840 5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.419 -11.508 8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.224 -11.565 6.248 1.00 0.00 H new ATOM 558 N MET A 40 4.902 -6.645 6.494 1.00 0.00 N ATOM 559 CA MET A 40 6.264 -6.142 6.447 1.00 0.00 C ATOM 560 C MET A 40 7.118 -6.768 7.551 1.00 0.00 C ATOM 561 O MET A 40 7.986 -6.107 8.120 1.00 0.00 O ATOM 562 CB MET A 40 6.253 -4.621 6.611 1.00 0.00 C ATOM 563 CG MET A 40 5.428 -3.957 5.506 1.00 0.00 C ATOM 564 SD MET A 40 6.377 -3.885 3.996 1.00 0.00 S ATOM 565 CE MET A 40 7.681 -2.776 4.501 1.00 0.00 C ATOM 0 H MET A 40 4.356 -6.323 7.293 1.00 0.00 H new ATOM 0 HA MET A 40 6.697 -6.409 5.483 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.840 -4.360 7.585 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.274 -4.241 6.585 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.508 -4.518 5.341 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.138 -2.952 5.811 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.544 -1.809 4.017 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.651 -2.647 5.583 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.646 -3.193 4.212 1.00 0.00 H new ATOM 575 N ALA A 41 6.843 -8.036 7.822 1.00 0.00 N ATOM 576 CA ALA A 41 7.575 -8.758 8.848 1.00 0.00 C ATOM 577 C ALA A 41 9.032 -8.919 8.411 1.00 0.00 C ATOM 578 O ALA A 41 9.936 -8.938 9.246 1.00 0.00 O ATOM 579 CB ALA A 41 6.893 -10.103 9.110 1.00 0.00 C ATOM 0 H ALA A 41 6.123 -8.581 7.348 1.00 0.00 H new ATOM 0 HA ALA A 41 7.572 -8.202 9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.442 -10.645 9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.870 -9.933 9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.881 -10.690 8.192 1.00 0.00 H new ATOM 585 N SER A 42 9.216 -9.030 7.103 1.00 0.00 N ATOM 586 CA SER A 42 10.548 -9.188 6.546 1.00 0.00 C ATOM 587 C SER A 42 11.163 -7.816 6.263 1.00 0.00 C ATOM 588 O SER A 42 12.306 -7.724 5.818 1.00 0.00 O ATOM 589 CB SER A 42 10.514 -10.028 5.268 1.00 0.00 C ATOM 590 OG SER A 42 11.708 -10.787 5.096 1.00 0.00 O ATOM 0 H SER A 42 8.464 -9.014 6.414 1.00 0.00 H new ATOM 0 HA SER A 42 11.164 -9.712 7.277 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.658 -10.702 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.373 -9.374 4.408 1.00 0.00 H new ATOM 0 HG SER A 42 11.647 -11.311 4.270 1.00 0.00 H new ATOM 596 N PHE A 43 10.377 -6.783 6.532 1.00 0.00 N ATOM 597 CA PHE A 43 10.830 -5.421 6.312 1.00 0.00 C ATOM 598 C PHE A 43 10.072 -4.439 7.207 1.00 0.00 C ATOM 599 O PHE A 43 9.356 -3.569 6.714 1.00 0.00 O ATOM 600 CB PHE A 43 10.541 -5.084 4.847 1.00 0.00 C ATOM 601 CG PHE A 43 11.237 -6.010 3.847 1.00 0.00 C ATOM 602 CD1 PHE A 43 10.686 -7.216 3.541 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.405 -5.628 3.265 1.00 0.00 C ATOM 604 CE1 PHE A 43 11.332 -8.075 2.613 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.050 -6.488 2.337 1.00 0.00 C ATOM 606 CZ PHE A 43 12.500 -7.693 2.030 1.00 0.00 C ATOM 0 H PHE A 43 9.429 -6.863 6.900 1.00 0.00 H new ATOM 0 HA PHE A 43 11.891 -5.340 6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.465 -5.129 4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.851 -4.057 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.758 -7.520 4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.842 -4.671 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.896 -9.032 2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.978 -6.185 1.875 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.990 -8.346 1.324 1.00 0.00 H new ATOM 616 N PRO A 44 10.259 -4.617 8.543 1.00 0.00 N ATOM 617 CA PRO A 44 9.600 -3.758 9.512 1.00 0.00 C ATOM 618 C PRO A 44 10.268 -2.382 9.567 1.00 0.00 C ATOM 619 O PRO A 44 9.675 -1.420 10.052 1.00 0.00 O ATOM 620 CB PRO A 44 9.686 -4.512 10.828 1.00 0.00 C ATOM 621 CG PRO A 44 10.788 -5.543 10.648 1.00 0.00 C ATOM 622 CD PRO A 44 11.099 -5.638 9.163 1.00 0.00 C ATOM 0 HA PRO A 44 8.561 -3.551 9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.915 -3.835 11.651 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.737 -4.993 11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.678 -5.252 11.207 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.471 -6.512 11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.155 -5.454 8.967 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.870 -6.630 8.773 1.00 0.00 H new ATOM 630 N GLU A 45 11.492 -2.332 9.062 1.00 0.00 N ATOM 631 CA GLU A 45 12.246 -1.091 9.047 1.00 0.00 C ATOM 632 C GLU A 45 11.992 -0.331 7.744 1.00 0.00 C ATOM 633 O GLU A 45 12.555 0.741 7.526 1.00 0.00 O ATOM 634 CB GLU A 45 13.739 -1.354 9.247 1.00 0.00 C ATOM 635 CG GLU A 45 14.359 -1.976 7.994 1.00 0.00 C ATOM 636 CD GLU A 45 15.035 -3.309 8.321 1.00 0.00 C ATOM 637 OE1 GLU A 45 16.235 -3.267 8.668 1.00 0.00 O ATOM 638 OE2 GLU A 45 14.337 -4.341 8.216 1.00 0.00 O ATOM 0 H GLU A 45 11.980 -3.132 8.660 1.00 0.00 H new ATOM 0 HA GLU A 45 11.906 -0.472 9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.248 -0.420 9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.884 -2.020 10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.587 -2.131 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.089 -1.289 7.566 1.00 0.00 H new ATOM 645 N CYS A 46 11.144 -0.915 6.911 1.00 0.00 N ATOM 646 CA CYS A 46 10.808 -0.307 5.635 1.00 0.00 C ATOM 647 C CYS A 46 9.289 -0.142 5.565 1.00 0.00 C ATOM 648 O CYS A 46 8.733 0.075 4.490 1.00 0.00 O ATOM 649 CB CYS A 46 11.348 -1.124 4.459 1.00 0.00 C ATOM 650 SG CYS A 46 12.954 -0.441 3.907 1.00 0.00 S ATOM 0 H CYS A 46 10.679 -1.804 7.095 1.00 0.00 H new ATOM 0 HA CYS A 46 11.282 0.672 5.561 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.469 -2.166 4.755 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.634 -1.107 3.636 1.00 0.00 H new ATOM 0 HG CYS A 46 13.405 -1.143 2.910 1.00 0.00 H new ATOM 656 N THR A 47 8.660 -0.252 6.726 1.00 0.00 N ATOM 657 CA THR A 47 7.216 -0.118 6.811 1.00 0.00 C ATOM 658 C THR A 47 6.778 1.260 6.310 1.00 0.00 C ATOM 659 O THR A 47 5.953 1.362 5.404 1.00 0.00 O ATOM 660 CB THR A 47 6.798 -0.401 8.255 1.00 0.00 C ATOM 661 OG1 THR A 47 7.250 -1.731 8.493 1.00 0.00 O ATOM 662 CG2 THR A 47 5.280 -0.487 8.419 1.00 0.00 C ATOM 0 H THR A 47 9.124 -0.433 7.616 1.00 0.00 H new ATOM 0 HA THR A 47 6.714 -0.839 6.166 1.00 0.00 H new ATOM 0 HB THR A 47 7.189 0.381 8.906 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.021 -1.995 9.409 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.038 -0.689 9.462 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.827 0.458 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.891 -1.291 7.794 1.00 0.00 H new ATOM 670 N ALA A 48 7.350 2.286 6.922 1.00 0.00 N ATOM 671 CA ALA A 48 7.030 3.653 6.550 1.00 0.00 C ATOM 672 C ALA A 48 7.272 3.840 5.051 1.00 0.00 C ATOM 673 O ALA A 48 6.416 4.362 4.340 1.00 0.00 O ATOM 674 CB ALA A 48 7.856 4.621 7.400 1.00 0.00 C ATOM 0 H ALA A 48 8.034 2.198 7.674 1.00 0.00 H new ATOM 0 HA ALA A 48 5.979 3.866 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.616 5.647 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.624 4.468 8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.917 4.438 7.232 1.00 0.00 H new ATOM 680 N ALA A 49 8.445 3.403 4.615 1.00 0.00 N ATOM 681 CA ALA A 49 8.811 3.515 3.214 1.00 0.00 C ATOM 682 C ALA A 49 7.590 3.204 2.345 1.00 0.00 C ATOM 683 O ALA A 49 7.173 4.032 1.537 1.00 0.00 O ATOM 684 CB ALA A 49 9.989 2.584 2.918 1.00 0.00 C ATOM 0 H ALA A 49 9.154 2.971 5.208 1.00 0.00 H new ATOM 0 HA ALA A 49 9.131 4.531 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.264 2.668 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.840 2.865 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.704 1.555 3.137 1.00 0.00 H new ATOM 690 N ALA A 50 7.052 2.010 2.542 1.00 0.00 N ATOM 691 CA ALA A 50 5.888 1.580 1.787 1.00 0.00 C ATOM 692 C ALA A 50 4.822 2.676 1.833 1.00 0.00 C ATOM 693 O ALA A 50 4.457 3.236 0.801 1.00 0.00 O ATOM 694 CB ALA A 50 5.380 0.249 2.346 1.00 0.00 C ATOM 0 H ALA A 50 7.401 1.326 3.214 1.00 0.00 H new ATOM 0 HA ALA A 50 6.148 1.417 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.506 -0.074 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.164 -0.503 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.107 0.375 3.394 1.00 0.00 H new ATOM 700 N ILE A 51 4.354 2.951 3.042 1.00 0.00 N ATOM 701 CA ILE A 51 3.337 3.971 3.236 1.00 0.00 C ATOM 702 C ILE A 51 3.665 5.185 2.364 1.00 0.00 C ATOM 703 O ILE A 51 2.902 5.530 1.463 1.00 0.00 O ATOM 704 CB ILE A 51 3.189 4.304 4.722 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.367 3.235 5.444 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.604 5.705 4.915 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.046 2.808 6.747 1.00 0.00 C ATOM 0 H ILE A 51 4.660 2.486 3.896 1.00 0.00 H new ATOM 0 HA ILE A 51 2.362 3.602 2.917 1.00 0.00 H new ATOM 0 HB ILE A 51 4.182 4.305 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.370 3.621 5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.240 2.369 4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.509 5.916 5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.264 6.441 4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.621 5.757 4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.441 2.047 7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.032 2.400 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.149 3.672 7.404 1.00 0.00 H new ATOM 719 N LYS A 52 4.800 5.799 2.663 1.00 0.00 N ATOM 720 CA LYS A 52 5.239 6.966 1.917 1.00 0.00 C ATOM 721 C LYS A 52 4.953 6.753 0.429 1.00 0.00 C ATOM 722 O LYS A 52 4.108 7.435 -0.148 1.00 0.00 O ATOM 723 CB LYS A 52 6.705 7.278 2.223 1.00 0.00 C ATOM 724 CG LYS A 52 6.846 8.646 2.893 1.00 0.00 C ATOM 725 CD LYS A 52 7.892 8.606 4.008 1.00 0.00 C ATOM 726 CE LYS A 52 7.401 9.354 5.249 1.00 0.00 C ATOM 727 NZ LYS A 52 8.292 9.090 6.401 1.00 0.00 N ATOM 0 H LYS A 52 5.429 5.510 3.412 1.00 0.00 H new ATOM 0 HA LYS A 52 4.678 7.848 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.117 6.506 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.285 7.260 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.130 9.391 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.884 8.955 3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.113 7.571 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.822 9.052 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.367 10.424 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.384 9.043 5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.944 9.605 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.303 8.070 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.256 9.409 6.175 1.00 0.00 H new ATOM 741 N ALA A 53 5.673 5.802 -0.149 1.00 0.00 N ATOM 742 CA ALA A 53 5.507 5.490 -1.558 1.00 0.00 C ATOM 743 C ALA A 53 4.042 5.687 -1.951 1.00 0.00 C ATOM 744 O ALA A 53 3.733 6.491 -2.829 1.00 0.00 O ATOM 745 CB ALA A 53 5.996 4.066 -1.827 1.00 0.00 C ATOM 0 H ALA A 53 6.372 5.238 0.333 1.00 0.00 H new ATOM 0 HA ALA A 53 6.106 6.162 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.871 3.832 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.050 3.987 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.416 3.363 -1.229 1.00 0.00 H new ATOM 751 N ILE A 54 3.177 4.940 -1.280 1.00 0.00 N ATOM 752 CA ILE A 54 1.751 5.023 -1.548 1.00 0.00 C ATOM 753 C ILE A 54 1.324 6.492 -1.566 1.00 0.00 C ATOM 754 O ILE A 54 0.698 6.948 -2.522 1.00 0.00 O ATOM 755 CB ILE A 54 0.968 4.167 -0.550 1.00 0.00 C ATOM 756 CG1 ILE A 54 1.107 2.679 -0.877 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.496 4.605 -0.483 1.00 0.00 C ATOM 758 CD1 ILE A 54 2.157 2.016 0.017 1.00 0.00 C ATOM 0 H ILE A 54 3.436 4.275 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 54 1.524 4.613 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 54 1.395 4.320 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.146 2.183 -0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.387 2.558 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.030 3.981 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.550 5.647 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.953 4.500 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.236 0.959 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.122 2.499 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.862 2.118 1.061 1.00 0.00 H new ATOM 770 N ARG A 55 1.680 7.192 -0.499 1.00 0.00 N ATOM 771 CA ARG A 55 1.342 8.599 -0.381 1.00 0.00 C ATOM 772 C ARG A 55 1.882 9.378 -1.582 1.00 0.00 C ATOM 773 O ARG A 55 1.177 10.206 -2.157 1.00 0.00 O ATOM 774 CB ARG A 55 1.915 9.197 0.906 1.00 0.00 C ATOM 775 CG ARG A 55 1.782 8.217 2.073 1.00 0.00 C ATOM 776 CD ARG A 55 1.584 8.962 3.395 1.00 0.00 C ATOM 777 NE ARG A 55 2.606 8.533 4.376 1.00 0.00 N ATOM 778 CZ ARG A 55 2.601 8.885 5.668 1.00 0.00 C ATOM 779 NH1 ARG A 55 1.629 9.675 6.144 1.00 0.00 N ATOM 780 NH2 ARG A 55 3.569 8.449 6.485 1.00 0.00 N ATOM 0 H ARG A 55 2.199 6.810 0.292 1.00 0.00 H new ATOM 0 HA ARG A 55 0.255 8.677 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.965 9.451 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.394 10.124 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.938 7.550 1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.674 7.594 2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.655 10.037 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.586 8.765 3.787 1.00 0.00 H new ATOM 0 HE ARG A 55 3.361 7.932 4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.892 10.008 5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.626 9.943 7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.310 7.849 6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.565 8.717 7.469 1.00 0.00 H new ATOM 794 N GLU A 56 3.128 9.086 -1.925 1.00 0.00 N ATOM 795 CA GLU A 56 3.770 9.748 -3.047 1.00 0.00 C ATOM 796 C GLU A 56 2.983 9.494 -4.334 1.00 0.00 C ATOM 797 O GLU A 56 2.968 10.335 -5.232 1.00 0.00 O ATOM 798 CB GLU A 56 5.223 9.293 -3.194 1.00 0.00 C ATOM 799 CG GLU A 56 6.100 9.892 -2.092 1.00 0.00 C ATOM 800 CD GLU A 56 7.391 10.472 -2.673 1.00 0.00 C ATOM 801 OE1 GLU A 56 7.286 11.504 -3.371 1.00 0.00 O ATOM 802 OE2 GLU A 56 8.454 9.871 -2.406 1.00 0.00 O ATOM 0 H GLU A 56 3.710 8.399 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 56 3.778 10.821 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.273 8.205 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.604 9.592 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.549 10.674 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.341 9.124 -1.356 1.00 0.00 H new ATOM 809 N SER A 57 2.349 8.332 -4.383 1.00 0.00 N ATOM 810 CA SER A 57 1.563 7.957 -5.546 1.00 0.00 C ATOM 811 C SER A 57 0.521 9.037 -5.844 1.00 0.00 C ATOM 812 O SER A 57 0.114 9.776 -4.948 1.00 0.00 O ATOM 813 CB SER A 57 0.879 6.604 -5.335 1.00 0.00 C ATOM 814 OG SER A 57 -0.527 6.740 -5.152 1.00 0.00 O ATOM 0 H SER A 57 2.364 7.638 -3.636 1.00 0.00 H new ATOM 0 HA SER A 57 2.236 7.865 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.072 5.962 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.312 6.111 -4.465 1.00 0.00 H new ATOM 0 HG SER A 57 -0.721 6.882 -4.202 1.00 0.00 H new ATOM 820 N GLY A 58 0.119 9.095 -7.105 1.00 0.00 N ATOM 821 CA GLY A 58 -0.867 10.073 -7.532 1.00 0.00 C ATOM 822 C GLY A 58 -2.288 9.560 -7.290 1.00 0.00 C ATOM 823 O GLY A 58 -3.153 9.687 -8.155 1.00 0.00 O ATOM 0 H GLY A 58 0.458 8.480 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.716 11.007 -6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.731 10.293 -8.591 1.00 0.00 H new ATOM 827 N MET A 59 -2.485 8.990 -6.110 1.00 0.00 N ATOM 828 CA MET A 59 -3.786 8.457 -5.744 1.00 0.00 C ATOM 829 C MET A 59 -4.355 9.188 -4.527 1.00 0.00 C ATOM 830 O MET A 59 -5.533 9.040 -4.204 1.00 0.00 O ATOM 831 CB MET A 59 -3.657 6.965 -5.430 1.00 0.00 C ATOM 832 CG MET A 59 -3.487 6.148 -6.712 1.00 0.00 C ATOM 833 SD MET A 59 -3.953 4.450 -6.420 1.00 0.00 S ATOM 834 CE MET A 59 -2.381 3.780 -5.904 1.00 0.00 C ATOM 0 H MET A 59 -1.765 8.886 -5.395 1.00 0.00 H new ATOM 0 HA MET A 59 -4.467 8.603 -6.583 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.803 6.800 -4.774 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.542 6.625 -4.892 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.102 6.571 -7.507 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.452 6.197 -7.050 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.501 2.728 -5.647 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.661 3.875 -6.716 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.020 4.328 -5.033 1.00 0.00 H new ATOM 844 N ASN A 60 -3.492 9.960 -3.884 1.00 0.00 N ATOM 845 CA ASN A 60 -3.894 10.714 -2.708 1.00 0.00 C ATOM 846 C ASN A 60 -4.706 9.809 -1.780 1.00 0.00 C ATOM 847 O ASN A 60 -5.873 10.083 -1.504 1.00 0.00 O ATOM 848 CB ASN A 60 -4.772 11.907 -3.093 1.00 0.00 C ATOM 849 CG ASN A 60 -3.955 12.980 -3.814 1.00 0.00 C ATOM 850 OD1 ASN A 60 -2.793 13.212 -3.524 1.00 0.00 O ATOM 851 ND2 ASN A 60 -4.625 13.620 -4.768 1.00 0.00 N ATOM 0 H ASN A 60 -2.516 10.080 -4.155 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.992 11.074 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.586 11.571 -3.736 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.227 12.332 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.167 14.355 -5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.597 13.376 -4.960 1.00 0.00 H new ATOM 858 N LEU A 61 -4.056 8.749 -1.323 1.00 0.00 N ATOM 859 CA LEU A 61 -4.703 7.801 -0.431 1.00 0.00 C ATOM 860 C LEU A 61 -4.102 7.933 0.969 1.00 0.00 C ATOM 861 O LEU A 61 -3.036 8.525 1.138 1.00 0.00 O ATOM 862 CB LEU A 61 -4.623 6.385 -1.004 1.00 0.00 C ATOM 863 CG LEU A 61 -5.557 6.082 -2.178 1.00 0.00 C ATOM 864 CD1 LEU A 61 -5.071 4.864 -2.965 1.00 0.00 C ATOM 865 CD2 LEU A 61 -7.001 5.917 -1.700 1.00 0.00 C ATOM 0 H LEU A 61 -3.088 8.525 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.766 8.025 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.598 6.202 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.838 5.678 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.538 6.933 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.752 4.671 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.072 5.058 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.042 3.994 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.644 5.702 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.057 5.094 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.332 6.837 -1.218 1.00 0.00 H new ATOM 877 N ASN A 62 -4.810 7.372 1.938 1.00 0.00 N ATOM 878 CA ASN A 62 -4.359 7.420 3.319 1.00 0.00 C ATOM 879 C ASN A 62 -4.064 5.999 3.804 1.00 0.00 C ATOM 880 O ASN A 62 -4.949 5.321 4.324 1.00 0.00 O ATOM 881 CB ASN A 62 -5.434 8.016 4.229 1.00 0.00 C ATOM 882 CG ASN A 62 -4.807 8.685 5.454 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.443 9.850 5.439 1.00 0.00 O ATOM 884 ND2 ASN A 62 -4.700 7.886 6.511 1.00 0.00 N ATOM 0 H ASN A 62 -5.693 6.882 1.794 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.466 8.043 3.360 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.022 8.746 3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.120 7.232 4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.293 8.238 7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.025 6.921 6.456 1.00 0.00 H new ATOM 891 N PRO A 63 -2.785 5.580 3.610 1.00 0.00 N ATOM 892 CA PRO A 63 -2.362 4.252 4.022 1.00 0.00 C ATOM 893 C PRO A 63 -2.195 4.176 5.541 1.00 0.00 C ATOM 894 O PRO A 63 -1.834 5.164 6.179 1.00 0.00 O ATOM 895 CB PRO A 63 -1.067 4.000 3.268 1.00 0.00 C ATOM 896 CG PRO A 63 -0.570 5.366 2.825 1.00 0.00 C ATOM 897 CD PRO A 63 -1.711 6.356 2.997 1.00 0.00 C ATOM 0 HA PRO A 63 -3.099 3.484 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.334 3.506 3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.235 3.348 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.292 5.670 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.245 5.335 1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.417 7.194 3.629 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.021 6.773 2.039 1.00 0.00 H new ATOM 905 N GLU A 64 -2.463 2.994 6.076 1.00 0.00 N ATOM 906 CA GLU A 64 -2.346 2.777 7.507 1.00 0.00 C ATOM 907 C GLU A 64 -1.122 1.912 7.815 1.00 0.00 C ATOM 908 O GLU A 64 -0.441 1.447 6.902 1.00 0.00 O ATOM 909 CB GLU A 64 -3.620 2.144 8.072 1.00 0.00 C ATOM 910 CG GLU A 64 -4.802 3.111 7.974 1.00 0.00 C ATOM 911 CD GLU A 64 -5.403 3.384 9.354 1.00 0.00 C ATOM 912 OE1 GLU A 64 -5.799 2.395 10.007 1.00 0.00 O ATOM 913 OE2 GLU A 64 -5.451 4.577 9.725 1.00 0.00 O ATOM 0 H GLU A 64 -2.761 2.177 5.544 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.214 3.745 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.848 1.228 7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.460 1.863 9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.473 4.048 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.565 2.693 7.317 1.00 0.00 H new ATOM 920 N VAL A 65 -0.880 1.723 9.104 1.00 0.00 N ATOM 921 CA VAL A 65 0.251 0.922 9.543 1.00 0.00 C ATOM 922 C VAL A 65 -0.019 0.398 10.954 1.00 0.00 C ATOM 923 O VAL A 65 -0.155 1.178 11.895 1.00 0.00 O ATOM 924 CB VAL A 65 1.540 1.740 9.445 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.731 2.613 10.687 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.750 0.830 9.223 1.00 0.00 C ATOM 0 H VAL A 65 -1.447 2.110 9.858 1.00 0.00 H new ATOM 0 HA VAL A 65 0.381 0.056 8.894 1.00 0.00 H new ATOM 0 HB VAL A 65 1.454 2.400 8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.655 3.184 10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.889 3.298 10.783 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.786 1.979 11.572 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.654 1.436 9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.840 0.134 10.057 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.620 0.271 8.297 1.00 0.00 H new ATOM 936 N GLU A 66 -0.089 -0.921 11.058 1.00 0.00 N ATOM 937 CA GLU A 66 -0.341 -1.559 12.339 1.00 0.00 C ATOM 938 C GLU A 66 0.730 -2.614 12.626 1.00 0.00 C ATOM 939 O GLU A 66 0.710 -3.698 12.045 1.00 0.00 O ATOM 940 CB GLU A 66 -1.741 -2.174 12.380 1.00 0.00 C ATOM 941 CG GLU A 66 -2.696 -1.309 13.204 1.00 0.00 C ATOM 942 CD GLU A 66 -3.658 -2.176 14.019 1.00 0.00 C ATOM 943 OE1 GLU A 66 -4.153 -3.169 13.443 1.00 0.00 O ATOM 944 OE2 GLU A 66 -3.876 -1.827 15.199 1.00 0.00 O ATOM 0 H GLU A 66 0.024 -1.566 10.276 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.292 -0.798 13.118 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.125 -2.281 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.690 -3.175 12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.124 -0.666 13.873 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.263 -0.655 12.542 1.00 0.00 H new ATOM 951 N GLY A 67 1.639 -2.259 13.522 1.00 0.00 N ATOM 952 CA GLY A 67 2.716 -3.162 13.893 1.00 0.00 C ATOM 953 C GLY A 67 3.677 -3.380 12.722 1.00 0.00 C ATOM 954 O GLY A 67 4.711 -2.721 12.632 1.00 0.00 O ATOM 0 H GLY A 67 1.652 -1.359 14.002 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.261 -2.753 14.744 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.300 -4.119 14.210 1.00 0.00 H new ATOM 958 N THR A 68 3.300 -4.307 11.854 1.00 0.00 N ATOM 959 CA THR A 68 4.115 -4.621 10.693 1.00 0.00 C ATOM 960 C THR A 68 3.231 -4.839 9.463 1.00 0.00 C ATOM 961 O THR A 68 3.699 -5.329 8.437 1.00 0.00 O ATOM 962 CB THR A 68 4.985 -5.831 11.038 1.00 0.00 C ATOM 963 OG1 THR A 68 4.180 -6.593 11.933 1.00 0.00 O ATOM 964 CG2 THR A 68 6.212 -5.452 11.870 1.00 0.00 C ATOM 0 H THR A 68 2.441 -4.851 11.931 1.00 0.00 H new ATOM 0 HA THR A 68 4.774 -3.791 10.437 1.00 0.00 H new ATOM 0 HB THR A 68 5.307 -6.320 10.119 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.667 -7.398 12.206 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.795 -6.347 12.087 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.826 -4.746 11.312 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.890 -4.993 12.805 1.00 0.00 H new ATOM 972 N LEU A 69 1.968 -4.464 9.608 1.00 0.00 N ATOM 973 CA LEU A 69 1.014 -4.613 8.523 1.00 0.00 C ATOM 974 C LEU A 69 0.630 -3.229 7.994 1.00 0.00 C ATOM 975 O LEU A 69 0.694 -2.242 8.725 1.00 0.00 O ATOM 976 CB LEU A 69 -0.182 -5.454 8.972 1.00 0.00 C ATOM 977 CG LEU A 69 -0.188 -6.912 8.511 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.467 -7.011 7.010 1.00 0.00 C ATOM 979 CD2 LEU A 69 1.113 -7.616 8.900 1.00 0.00 C ATOM 0 H LEU A 69 1.584 -4.057 10.461 1.00 0.00 H new ATOM 0 HA LEU A 69 1.463 -5.159 7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.224 -5.438 10.061 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.093 -4.976 8.611 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.999 -7.429 9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.466 -8.058 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.440 -6.571 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.306 -6.474 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.082 -8.651 8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.956 -7.106 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.229 -7.593 9.984 1.00 0.00 H new ATOM 991 N ILE A 70 0.239 -3.202 6.729 1.00 0.00 N ATOM 992 CA ILE A 70 -0.155 -1.956 6.094 1.00 0.00 C ATOM 993 C ILE A 70 -1.601 -2.072 5.606 1.00 0.00 C ATOM 994 O ILE A 70 -1.894 -2.853 4.702 1.00 0.00 O ATOM 995 CB ILE A 70 0.837 -1.578 4.992 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.276 -1.858 5.430 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.643 -0.125 4.555 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.272 -1.413 4.358 1.00 0.00 C ATOM 0 H ILE A 70 0.186 -4.023 6.126 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.125 -1.137 6.812 1.00 0.00 H new ATOM 0 HB ILE A 70 0.638 -2.205 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.484 -1.336 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.399 -2.923 5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.360 0.118 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.370 0.008 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.800 0.535 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.287 -1.623 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.077 -1.955 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.163 -0.343 4.182 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.467 -1.285 6.227 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.874 -1.290 5.868 1.00 0.00 C ATOM 1012 C ARG A 71 -4.189 -0.117 4.937 1.00 0.00 C ATOM 1013 O ARG A 71 -4.083 1.042 5.335 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.761 -1.196 7.112 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.520 -2.504 7.343 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.697 -2.293 8.298 1.00 0.00 C ATOM 1017 NE ARG A 71 -6.398 -2.906 9.612 1.00 0.00 N ATOM 1018 CZ ARG A 71 -7.041 -2.601 10.747 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -8.022 -1.688 10.737 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -6.703 -3.208 11.893 1.00 0.00 N ATOM 0 H ARG A 71 -2.221 -0.639 6.977 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.082 -2.230 5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.148 -0.968 7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.469 -0.376 6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.884 -2.890 6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.844 -3.254 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.891 -1.227 8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.601 -2.735 7.878 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.656 -3.604 9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.279 -1.225 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.512 -1.456 11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.956 -3.902 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.193 -2.976 12.757 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.568 -0.459 3.714 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.899 0.551 2.724 1.00 0.00 C ATOM 1036 C VAL A 72 -6.355 0.375 2.288 1.00 0.00 C ATOM 1037 O VAL A 72 -6.666 -0.511 1.494 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.912 0.481 1.556 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.560 0.976 0.261 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.637 1.267 1.867 1.00 0.00 C ATOM 0 H VAL A 72 -4.653 -1.421 3.387 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.807 1.550 3.151 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.634 -0.563 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.838 0.916 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.424 0.355 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.880 2.010 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.953 1.201 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.889 2.312 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.159 0.849 2.753 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.230 1.257 2.840 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.646 1.208 2.517 1.00 0.00 C ATOM 1052 C PRO A 73 -8.909 1.770 1.119 1.00 0.00 C ATOM 1053 O PRO A 73 -8.417 2.843 0.775 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.329 2.006 3.616 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.241 2.858 4.250 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.897 2.320 3.784 1.00 0.00 C ATOM 0 HA PRO A 73 -9.034 0.190 2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.125 2.629 3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.786 1.345 4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.356 3.902 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.311 2.820 5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.302 3.100 3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.312 1.938 4.620 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.685 1.019 0.351 1.00 0.00 N ATOM 1065 CA ILE A 74 -10.019 1.429 -1.003 1.00 0.00 C ATOM 1066 C ILE A 74 -11.194 2.407 -0.959 1.00 0.00 C ATOM 1067 O ILE A 74 -12.126 2.229 -0.176 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.271 0.205 -1.886 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.092 -0.768 -1.824 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.593 0.623 -3.323 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -8.046 -0.432 -2.889 1.00 0.00 C ATOM 0 H ILE A 74 -10.092 0.130 0.640 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.181 1.956 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.144 -0.321 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.635 -0.728 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.449 -1.787 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.768 -0.265 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.486 1.248 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.755 1.185 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.219 -1.139 -2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.500 -0.496 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.673 0.579 -2.726 1.00 0.00 H new ATOM 1083 N PRO A 75 -11.110 3.447 -1.832 1.00 0.00 N ATOM 1084 CA PRO A 75 -12.155 4.454 -1.900 1.00 0.00 C ATOM 1085 C PRO A 75 -13.394 3.911 -2.614 1.00 0.00 C ATOM 1086 O PRO A 75 -13.280 3.118 -3.547 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.520 5.630 -2.624 1.00 0.00 C ATOM 1088 CG PRO A 75 -10.303 5.071 -3.342 1.00 0.00 C ATOM 1089 CD PRO A 75 -10.021 3.690 -2.774 1.00 0.00 C ATOM 0 HA PRO A 75 -12.514 4.755 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.219 6.077 -3.331 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.233 6.412 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.486 5.012 -4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.443 5.725 -3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.001 2.935 -3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.052 3.657 -2.276 1.00 0.00 H new ATOM 1097 N LYS A 76 -14.550 4.359 -2.147 1.00 0.00 N ATOM 1098 CA LYS A 76 -15.810 3.927 -2.729 1.00 0.00 C ATOM 1099 C LYS A 76 -16.001 4.610 -4.085 1.00 0.00 C ATOM 1100 O LYS A 76 -16.047 3.945 -5.118 1.00 0.00 O ATOM 1101 CB LYS A 76 -16.962 4.168 -1.752 1.00 0.00 C ATOM 1102 CG LYS A 76 -17.982 3.029 -1.815 1.00 0.00 C ATOM 1103 CD LYS A 76 -19.411 3.574 -1.855 1.00 0.00 C ATOM 1104 CE LYS A 76 -20.432 2.435 -1.881 1.00 0.00 C ATOM 1105 NZ LYS A 76 -21.200 2.456 -3.146 1.00 0.00 N ATOM 0 H LYS A 76 -14.641 5.017 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.797 2.852 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.571 4.255 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.452 5.113 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.797 2.419 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.861 2.379 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.588 4.206 -0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.540 4.203 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.921 1.478 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.112 2.529 -1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.888 1.676 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.703 3.362 -3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.549 2.344 -3.949 1.00 0.00 H new ATOM 1119 N VAL A 77 -16.106 5.930 -4.037 1.00 0.00 N ATOM 1120 CA VAL A 77 -16.291 6.711 -5.249 1.00 0.00 C ATOM 1121 C VAL A 77 -17.357 6.045 -6.122 1.00 0.00 C ATOM 1122 O VAL A 77 -18.036 5.119 -5.681 1.00 0.00 O ATOM 1123 CB VAL A 77 -14.952 6.885 -5.968 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -14.630 5.663 -6.831 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -14.942 8.166 -6.805 1.00 0.00 C ATOM 0 H VAL A 77 -16.067 6.479 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.648 7.712 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.174 6.974 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.673 5.813 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -14.575 4.776 -6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -15.412 5.529 -7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.979 8.266 -7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -15.736 8.120 -7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -15.104 9.026 -6.156 1.00 0.00 H new ATOM 1135 N THR A 78 -17.470 6.542 -7.345 1.00 0.00 N ATOM 1136 CA THR A 78 -18.441 6.006 -8.283 1.00 0.00 C ATOM 1137 C THR A 78 -19.849 6.074 -7.690 1.00 0.00 C ATOM 1138 O THR A 78 -20.403 5.056 -7.278 1.00 0.00 O ATOM 1139 CB THR A 78 -18.006 4.588 -8.656 1.00 0.00 C ATOM 1140 OG1 THR A 78 -17.040 4.780 -9.686 1.00 0.00 O ATOM 1141 CG2 THR A 78 -19.122 3.793 -9.336 1.00 0.00 C ATOM 0 H THR A 78 -16.905 7.310 -7.708 1.00 0.00 H new ATOM 0 HA THR A 78 -18.478 6.600 -9.196 1.00 0.00 H new ATOM 0 HB THR A 78 -17.680 4.061 -7.759 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.704 3.910 -9.985 1.00 0.00 H new ATOM 0 HG21 THR A 78 -18.761 2.794 -9.580 1.00 0.00 H new ATOM 0 HG22 THR A 78 -19.976 3.716 -8.663 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.426 4.302 -10.251 1.00 0.00 H new ATOM 1149 N SER A 79 -20.389 7.284 -7.666 1.00 0.00 N ATOM 1150 CA SER A 79 -21.723 7.497 -7.130 1.00 0.00 C ATOM 1151 C SER A 79 -22.774 7.104 -8.169 1.00 0.00 C ATOM 1152 O SER A 79 -23.660 6.299 -7.887 1.00 0.00 O ATOM 1153 CB SER A 79 -21.918 8.954 -6.703 1.00 0.00 C ATOM 1154 OG SER A 79 -21.203 9.260 -5.509 1.00 0.00 O ATOM 0 H SER A 79 -19.927 8.126 -8.009 1.00 0.00 H new ATOM 0 HA SER A 79 -21.841 6.868 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 79 -21.586 9.614 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 79 -22.980 9.148 -6.550 1.00 0.00 H new ATOM 0 HG SER A 79 -21.351 10.199 -5.270 1.00 0.00 H new ATOM 1160 N GLY A 80 -22.641 7.690 -9.350 1.00 0.00 N ATOM 1161 CA GLY A 80 -23.568 7.411 -10.433 1.00 0.00 C ATOM 1162 C GLY A 80 -23.687 5.905 -10.679 1.00 0.00 C ATOM 1163 O GLY A 80 -22.852 5.129 -10.217 1.00 0.00 O ATOM 0 H GLY A 80 -21.905 8.357 -9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -24.548 7.822 -10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -23.229 7.906 -11.343 1.00 0.00 H new ATOM 1167 N PRO A 81 -24.759 5.527 -11.425 1.00 0.00 N ATOM 1168 CA PRO A 81 -24.998 4.128 -11.737 1.00 0.00 C ATOM 1169 C PRO A 81 -24.031 3.634 -12.815 1.00 0.00 C ATOM 1170 O PRO A 81 -23.731 4.357 -13.764 1.00 0.00 O ATOM 1171 CB PRO A 81 -26.453 4.065 -12.172 1.00 0.00 C ATOM 1172 CG PRO A 81 -26.843 5.490 -12.532 1.00 0.00 C ATOM 1173 CD PRO A 81 -25.769 6.418 -11.989 1.00 0.00 C ATOM 0 HA PRO A 81 -24.821 3.471 -10.885 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -26.577 3.399 -13.026 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -27.083 3.678 -11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -26.932 5.600 -13.613 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -27.814 5.739 -12.105 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -25.350 7.043 -12.778 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -26.172 7.090 -11.231 1.00 0.00 H new ATOM 1181 N SER A 82 -23.569 2.406 -12.632 1.00 0.00 N ATOM 1182 CA SER A 82 -22.642 1.807 -13.577 1.00 0.00 C ATOM 1183 C SER A 82 -23.414 1.130 -14.711 1.00 0.00 C ATOM 1184 O SER A 82 -24.098 0.131 -14.491 1.00 0.00 O ATOM 1185 CB SER A 82 -21.724 0.798 -12.883 1.00 0.00 C ATOM 1186 OG SER A 82 -20.938 1.405 -11.862 1.00 0.00 O ATOM 0 H SER A 82 -23.819 1.809 -11.843 1.00 0.00 H new ATOM 0 HA SER A 82 -22.019 2.599 -13.993 1.00 0.00 H new ATOM 0 HB2 SER A 82 -22.326 -0.001 -12.450 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.067 0.338 -13.621 1.00 0.00 H new ATOM 0 HG SER A 82 -20.367 0.728 -11.442 1.00 0.00 H new ATOM 1192 N SER A 83 -23.279 1.700 -15.899 1.00 0.00 N ATOM 1193 CA SER A 83 -23.956 1.164 -17.068 1.00 0.00 C ATOM 1194 C SER A 83 -23.153 1.484 -18.330 1.00 0.00 C ATOM 1195 O SER A 83 -22.763 0.581 -19.068 1.00 0.00 O ATOM 1196 CB SER A 83 -25.376 1.721 -17.186 1.00 0.00 C ATOM 1197 OG SER A 83 -26.281 0.766 -17.734 1.00 0.00 O ATOM 0 H SER A 83 -22.711 2.528 -16.078 1.00 0.00 H new ATOM 0 HA SER A 83 -24.028 0.082 -16.956 1.00 0.00 H new ATOM 0 HB2 SER A 83 -25.727 2.030 -16.201 1.00 0.00 H new ATOM 0 HB3 SER A 83 -25.365 2.612 -17.814 1.00 0.00 H new ATOM 0 HG SER A 83 -27.177 1.159 -17.791 1.00 0.00 H new ATOM 1203 N GLY A 84 -22.932 2.773 -18.540 1.00 0.00 N ATOM 1204 CA GLY A 84 -22.183 3.224 -19.701 1.00 0.00 C ATOM 1205 C GLY A 84 -20.771 3.662 -19.306 1.00 0.00 C ATOM 1206 O GLY A 84 -19.993 2.865 -18.783 1.00 0.00 O ATOM 0 H GLY A 84 -23.258 3.520 -17.926 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -22.126 2.421 -20.436 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -22.706 4.054 -20.176 1.00 0.00 H new TER 1210 GLY A 84