USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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= -1.16! K(o=-16!,f=-17) USER MOD Set 1.2: A 48 ASN : amide:sc= -15.3! C(o=-16!,f=-19!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -41:sc= -0.124 USER MOD Single : A 6 THR OG1 : rot -107:sc= 0.0398 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 10 SER OG : rot 15:sc= 0.176 USER MOD Single : A 11 SER OG : rot -170:sc= -1.59! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -129:sc= -0.526! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -9.57! C(o=-9.6!,f=-9.4!) USER MOD Single : A 30 THR OG1 : rot 114:sc= 0.844 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 110:sc= -0.722 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -81:sc= -6.81! USER MOD Single : A 60 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.44) USER MOD Single : A 62 SER OG : rot 24:sc= 0.584 USER MOD Single : A 64 SER OG : rot 55:sc= 0.0621 USER MOD Single : A 65 THR OG1 : rot -157:sc= -3.07! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -49:sc= -0.506 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 85 THR OG1 : rot 82:sc= -1.66! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.5!) USER MOD Single : A 98 SER OG : rot 101:sc= -0.67 USER MOD Single : A 103 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.7!) USER MOD Single : A 111 SER OG : rot -95:sc= -0.0194 USER MOD Single : A 113 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.033) USER MOD Single : A 130 NCZ O2 : rot -118:sc= 1.02 USER MOD Single : A 130 NCZ O5 : rot 180:sc= -0.0462 USER MOD Single : A 130 NCZ O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.624 -9.296 9.708 1.00 0.00 N ATOM 2 CA ALA A 1 -13.599 -8.943 10.675 1.00 0.00 C ATOM 3 C ALA A 1 -12.378 -8.394 9.938 1.00 0.00 C ATOM 4 O ALA A 1 -11.442 -9.137 9.638 1.00 0.00 O ATOM 5 CB ALA A 1 -13.263 -10.165 11.531 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.457 -9.670 10.206 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.895 -8.451 9.166 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.255 -10.020 9.059 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.957 -8.163 11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.494 -9.901 12.257 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.158 -10.499 12.056 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.897 -10.968 10.891 1.00 0.00 H new ATOM 11 N ALA A 2 -12.420 -7.097 9.668 1.00 0.00 N ATOM 12 CA ALA A 2 -11.328 -6.439 8.972 1.00 0.00 C ATOM 13 C ALA A 2 -11.565 -4.928 8.971 1.00 0.00 C ATOM 14 O ALA A 2 -12.444 -4.435 8.268 1.00 0.00 O ATOM 15 CB ALA A 2 -11.207 -7.012 7.558 1.00 0.00 C ATOM 0 H ALA A 2 -13.195 -6.484 9.920 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.382 -6.623 9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.388 -6.519 7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.009 -8.082 7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.138 -6.843 7.016 1.00 0.00 H new ATOM 21 N PRO A 3 -10.744 -4.217 9.790 1.00 0.00 N ATOM 22 CA PRO A 3 -10.856 -2.773 9.892 1.00 0.00 C ATOM 23 C PRO A 3 -10.270 -2.090 8.653 1.00 0.00 C ATOM 24 O PRO A 3 -9.146 -2.386 8.251 1.00 0.00 O ATOM 25 CB PRO A 3 -10.124 -2.409 11.173 1.00 0.00 C ATOM 26 CG PRO A 3 -9.236 -3.600 11.496 1.00 0.00 C ATOM 27 CD PRO A 3 -9.691 -4.769 10.639 1.00 0.00 C ATOM 0 HA PRO A 3 -11.891 -2.433 9.932 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.531 -1.504 11.041 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.827 -2.214 11.983 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.191 -3.363 11.294 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.307 -3.853 12.554 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.870 -5.167 10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.066 -5.588 11.253 1.00 0.00 H new ATOM 35 N THR A 4 -11.059 -1.190 8.084 1.00 0.00 N ATOM 36 CA THR A 4 -10.632 -0.463 6.902 1.00 0.00 C ATOM 37 C THR A 4 -9.891 -1.395 5.940 1.00 0.00 C ATOM 38 O THR A 4 -10.175 -2.590 5.888 1.00 0.00 O ATOM 39 CB THR A 4 -9.793 0.733 7.357 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.473 0.208 7.468 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.137 1.180 8.780 1.00 0.00 C ATOM 0 H THR A 4 -11.991 -0.948 8.420 1.00 0.00 H new ATOM 0 HA THR A 4 -11.487 -0.083 6.343 1.00 0.00 H new ATOM 0 HB THR A 4 -9.942 1.565 6.669 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.509 -0.686 7.867 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.514 2.031 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.187 1.469 8.827 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.955 0.359 9.473 1.00 0.00 H new ATOM 49 N ALA A 5 -8.953 -0.812 5.206 1.00 0.00 N ATOM 50 CA ALA A 5 -8.168 -1.576 4.252 1.00 0.00 C ATOM 51 C ALA A 5 -7.079 -2.349 4.996 1.00 0.00 C ATOM 52 O ALA A 5 -6.206 -1.750 5.625 1.00 0.00 O ATOM 53 CB ALA A 5 -7.594 -0.632 3.193 1.00 0.00 C ATOM 0 H ALA A 5 -8.720 0.180 5.253 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.793 -2.304 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.005 -1.204 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.410 -0.130 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.958 0.111 3.674 1.00 0.00 H new ATOM 59 N THR A 6 -7.165 -3.668 4.901 1.00 0.00 N ATOM 60 CA THR A 6 -6.196 -4.529 5.559 1.00 0.00 C ATOM 61 C THR A 6 -5.824 -5.704 4.651 1.00 0.00 C ATOM 62 O THR A 6 -6.659 -6.194 3.891 1.00 0.00 O ATOM 63 CB THR A 6 -6.784 -4.962 6.903 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.185 -5.046 6.658 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.657 -3.879 7.976 1.00 0.00 C ATOM 0 H THR A 6 -7.890 -4.161 4.379 1.00 0.00 H new ATOM 0 HA THR A 6 -5.263 -4.000 5.752 1.00 0.00 H new ATOM 0 HB THR A 6 -6.282 -5.868 7.243 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.638 -4.290 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.090 -4.239 8.909 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.604 -3.643 8.132 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.186 -2.983 7.653 1.00 0.00 H new ATOM 73 N VAL A 7 -4.572 -6.120 4.759 1.00 0.00 N ATOM 74 CA VAL A 7 -4.080 -7.229 3.957 1.00 0.00 C ATOM 75 C VAL A 7 -4.363 -8.544 4.684 1.00 0.00 C ATOM 76 O VAL A 7 -4.010 -8.702 5.852 1.00 0.00 O ATOM 77 CB VAL A 7 -2.595 -7.027 3.642 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.830 -8.348 3.738 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.410 -6.384 2.268 1.00 0.00 C ATOM 0 H VAL A 7 -3.883 -5.710 5.389 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.600 -7.269 3.000 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.183 -6.347 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.778 -8.177 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.922 -8.749 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.244 -9.061 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.347 -6.251 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.845 -7.028 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.906 -5.414 2.251 1.00 0.00 H new ATOM 89 N THR A 8 -4.997 -9.456 3.963 1.00 0.00 N ATOM 90 CA THR A 8 -5.333 -10.754 4.525 1.00 0.00 C ATOM 91 C THR A 8 -4.322 -11.144 5.605 1.00 0.00 C ATOM 92 O THR A 8 -4.657 -11.181 6.789 1.00 0.00 O ATOM 93 CB THR A 8 -5.415 -11.760 3.374 1.00 0.00 C ATOM 94 OG1 THR A 8 -6.797 -11.789 3.035 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.111 -13.190 3.826 1.00 0.00 C ATOM 0 H THR A 8 -5.287 -9.323 2.994 1.00 0.00 H new ATOM 0 HA THR A 8 -6.301 -10.732 5.025 1.00 0.00 H new ATOM 0 HB THR A 8 -4.717 -11.471 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.939 -12.416 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.182 -13.864 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.104 -13.234 4.240 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.830 -13.491 4.588 1.00 0.00 H new ATOM 103 N PRO A 9 -3.076 -11.434 5.148 1.00 0.00 N ATOM 104 CA PRO A 9 -2.014 -11.821 6.060 1.00 0.00 C ATOM 105 C PRO A 9 -1.486 -10.609 6.833 1.00 0.00 C ATOM 106 O PRO A 9 -2.170 -9.593 6.942 1.00 0.00 O ATOM 107 CB PRO A 9 -0.958 -12.473 5.183 1.00 0.00 C ATOM 108 CG PRO A 9 -1.253 -12.013 3.765 1.00 0.00 C ATOM 109 CD PRO A 9 -2.644 -11.403 3.753 1.00 0.00 C ATOM 0 HA PRO A 9 -2.353 -12.513 6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.044 -12.174 5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.004 -13.559 5.259 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.513 -11.282 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.198 -12.853 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.626 -10.384 3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.321 -11.973 3.116 1.00 0.00 H new ATOM 117 N SER A 10 -0.275 -10.759 7.349 1.00 0.00 N ATOM 118 CA SER A 10 0.352 -9.690 8.107 1.00 0.00 C ATOM 119 C SER A 10 1.870 -9.737 7.919 1.00 0.00 C ATOM 120 O SER A 10 2.425 -8.973 7.131 1.00 0.00 O ATOM 121 CB SER A 10 -0.002 -9.787 9.592 1.00 0.00 C ATOM 122 OG SER A 10 -1.297 -9.262 9.866 1.00 0.00 O ATOM 0 H SER A 10 0.288 -11.604 7.257 1.00 0.00 H new ATOM 0 HA SER A 10 -0.025 -8.738 7.733 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.041 -10.829 9.908 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.740 -9.245 10.178 1.00 0.00 H new ATOM 0 HG SER A 10 -1.794 -9.162 9.027 1.00 0.00 H new ATOM 128 N SER A 11 2.499 -10.639 8.656 1.00 0.00 N ATOM 129 CA SER A 11 3.941 -10.796 8.582 1.00 0.00 C ATOM 130 C SER A 11 4.291 -12.087 7.841 1.00 0.00 C ATOM 131 O SER A 11 3.455 -12.981 7.716 1.00 0.00 O ATOM 132 CB SER A 11 4.568 -10.798 9.977 1.00 0.00 C ATOM 133 OG SER A 11 5.968 -11.055 9.933 1.00 0.00 O ATOM 0 H SER A 11 2.035 -11.270 9.309 1.00 0.00 H new ATOM 0 HA SER A 11 4.348 -9.948 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.391 -9.835 10.455 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.080 -11.554 10.593 1.00 0.00 H new ATOM 0 HG SER A 11 6.302 -11.205 10.842 1.00 0.00 H new ATOM 139 N GLY A 12 5.526 -12.146 7.368 1.00 0.00 N ATOM 140 CA GLY A 12 5.995 -13.312 6.641 1.00 0.00 C ATOM 141 C GLY A 12 5.576 -13.250 5.171 1.00 0.00 C ATOM 142 O GLY A 12 5.365 -14.283 4.539 1.00 0.00 O ATOM 0 H GLY A 12 6.217 -11.404 7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.081 -13.375 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.593 -14.216 7.099 1.00 0.00 H new ATOM 146 N LEU A 13 5.466 -12.028 4.671 1.00 0.00 N ATOM 147 CA LEU A 13 5.073 -11.817 3.288 1.00 0.00 C ATOM 148 C LEU A 13 6.277 -12.068 2.378 1.00 0.00 C ATOM 149 O LEU A 13 7.414 -12.121 2.846 1.00 0.00 O ATOM 150 CB LEU A 13 4.448 -10.432 3.112 1.00 0.00 C ATOM 151 CG LEU A 13 3.236 -10.126 3.994 1.00 0.00 C ATOM 152 CD1 LEU A 13 2.405 -8.982 3.407 1.00 0.00 C ATOM 153 CD2 LEU A 13 2.396 -11.385 4.226 1.00 0.00 C ATOM 0 H LEU A 13 5.642 -11.173 5.199 1.00 0.00 H new ATOM 0 HA LEU A 13 4.299 -12.528 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.214 -9.682 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.151 -10.319 2.069 1.00 0.00 H new ATOM 0 HG LEU A 13 3.596 -9.795 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.550 -8.785 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.020 -8.085 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.053 -9.261 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.541 -11.141 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.044 -11.769 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.005 -12.143 4.719 1.00 0.00 H new ATOM 165 N SER A 14 5.987 -12.216 1.092 1.00 0.00 N ATOM 166 CA SER A 14 7.031 -12.461 0.112 1.00 0.00 C ATOM 167 C SER A 14 6.946 -11.425 -1.010 1.00 0.00 C ATOM 168 O SER A 14 5.864 -10.935 -1.328 1.00 0.00 O ATOM 169 CB SER A 14 6.928 -13.876 -0.459 1.00 0.00 C ATOM 170 OG SER A 14 8.200 -14.395 -0.834 1.00 0.00 O ATOM 0 H SER A 14 5.043 -12.171 0.707 1.00 0.00 H new ATOM 0 HA SER A 14 7.997 -12.370 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.473 -14.533 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.269 -13.869 -1.327 1.00 0.00 H new ATOM 0 HG SER A 14 8.091 -15.301 -1.192 1.00 0.00 H new ATOM 176 N ASP A 15 8.104 -11.123 -1.581 1.00 0.00 N ATOM 177 CA ASP A 15 8.174 -10.155 -2.663 1.00 0.00 C ATOM 178 C ASP A 15 7.248 -10.596 -3.797 1.00 0.00 C ATOM 179 O ASP A 15 7.709 -11.122 -4.811 1.00 0.00 O ATOM 180 CB ASP A 15 9.594 -10.058 -3.223 1.00 0.00 C ATOM 181 CG ASP A 15 9.728 -9.239 -4.507 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.632 -9.575 -5.303 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.923 -8.296 -4.665 1.00 0.00 O ATOM 0 H ASP A 15 9.000 -11.531 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 15 7.875 -9.184 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.239 -9.620 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.963 -11.066 -3.413 1.00 0.00 H new ATOM 189 N GLY A 16 5.960 -10.366 -3.590 1.00 0.00 N ATOM 190 CA GLY A 16 4.965 -10.734 -4.583 1.00 0.00 C ATOM 191 C GLY A 16 3.906 -11.661 -3.983 1.00 0.00 C ATOM 192 O GLY A 16 3.464 -12.607 -4.634 1.00 0.00 O ATOM 0 H GLY A 16 5.582 -9.929 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.487 -9.836 -4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.451 -11.228 -5.424 1.00 0.00 H new ATOM 196 N THR A 17 3.533 -11.360 -2.748 1.00 0.00 N ATOM 197 CA THR A 17 2.536 -12.155 -2.053 1.00 0.00 C ATOM 198 C THR A 17 1.133 -11.619 -2.339 1.00 0.00 C ATOM 199 O THR A 17 0.777 -10.532 -1.888 1.00 0.00 O ATOM 200 CB THR A 17 2.892 -12.166 -0.565 1.00 0.00 C ATOM 201 OG1 THR A 17 4.148 -12.839 -0.514 1.00 0.00 O ATOM 202 CG2 THR A 17 1.957 -13.055 0.255 1.00 0.00 C ATOM 0 H THR A 17 3.904 -10.576 -2.211 1.00 0.00 H new ATOM 0 HA THR A 17 2.534 -13.186 -2.408 1.00 0.00 H new ATOM 0 HB THR A 17 2.856 -11.149 -0.176 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.108 -13.556 0.153 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.254 -13.026 1.303 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.933 -12.693 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.016 -14.080 -0.111 1.00 0.00 H new ATOM 210 N VAL A 18 0.372 -12.408 -3.085 1.00 0.00 N ATOM 211 CA VAL A 18 -0.984 -12.025 -3.436 1.00 0.00 C ATOM 212 C VAL A 18 -1.884 -12.166 -2.206 1.00 0.00 C ATOM 213 O VAL A 18 -1.954 -13.237 -1.602 1.00 0.00 O ATOM 214 CB VAL A 18 -1.469 -12.853 -4.630 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.576 -12.119 -5.390 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.308 -13.208 -5.558 1.00 0.00 C ATOM 0 H VAL A 18 0.670 -13.310 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.018 -10.980 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.886 -13.784 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.903 -12.727 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.419 -11.940 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.195 -11.166 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.680 -13.796 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.152 -12.293 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.433 -13.789 -5.008 1.00 0.00 H new ATOM 226 N VAL A 19 -2.548 -11.070 -1.870 1.00 0.00 N ATOM 227 CA VAL A 19 -3.440 -11.060 -0.724 1.00 0.00 C ATOM 228 C VAL A 19 -4.660 -10.190 -1.039 1.00 0.00 C ATOM 229 O VAL A 19 -4.618 -9.362 -1.946 1.00 0.00 O ATOM 230 CB VAL A 19 -2.684 -10.595 0.524 1.00 0.00 C ATOM 231 CG1 VAL A 19 -1.359 -11.348 0.672 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.455 -9.083 0.496 1.00 0.00 C ATOM 0 H VAL A 19 -2.486 -10.184 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.802 -12.067 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.300 -10.823 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.841 -11.000 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.556 -12.417 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.736 -11.164 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.916 -8.780 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.869 -8.820 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.416 -8.570 0.459 1.00 0.00 H new ATOM 242 N LYS A 20 -5.718 -10.410 -0.271 1.00 0.00 N ATOM 243 CA LYS A 20 -6.947 -9.658 -0.458 1.00 0.00 C ATOM 244 C LYS A 20 -6.967 -8.473 0.511 1.00 0.00 C ATOM 245 O LYS A 20 -6.824 -8.653 1.720 1.00 0.00 O ATOM 246 CB LYS A 20 -8.162 -10.578 -0.331 1.00 0.00 C ATOM 247 CG LYS A 20 -8.868 -10.370 1.010 1.00 0.00 C ATOM 248 CD LYS A 20 -10.124 -11.240 1.110 1.00 0.00 C ATOM 249 CE LYS A 20 -10.745 -11.151 2.504 1.00 0.00 C ATOM 250 NZ LYS A 20 -11.722 -12.244 2.708 1.00 0.00 N ATOM 0 H LYS A 20 -5.749 -11.098 0.481 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.993 -9.246 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.858 -10.382 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.847 -11.617 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.187 -10.614 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.139 -9.320 1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.851 -10.921 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.871 -12.276 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.963 -11.209 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.238 -10.187 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.134 -12.168 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.477 -12.172 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.242 -13.161 2.611 1.00 0.00 H new ATOM 264 N VAL A 21 -7.145 -7.291 -0.055 1.00 0.00 N ATOM 265 CA VAL A 21 -7.187 -6.077 0.744 1.00 0.00 C ATOM 266 C VAL A 21 -8.640 -5.626 0.905 1.00 0.00 C ATOM 267 O VAL A 21 -9.200 -4.990 0.014 1.00 0.00 O ATOM 268 CB VAL A 21 -6.297 -5.005 0.112 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.308 -3.722 0.947 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.869 -5.521 -0.078 1.00 0.00 C ATOM 0 H VAL A 21 -7.262 -7.146 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.792 -6.264 1.743 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.703 -4.769 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.668 -2.976 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.326 -3.338 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.938 -3.937 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.257 -4.740 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.450 -5.797 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.881 -6.394 -0.730 1.00 0.00 H new ATOM 280 N ALA A 22 -9.210 -5.975 2.049 1.00 0.00 N ATOM 281 CA ALA A 22 -10.587 -5.616 2.340 1.00 0.00 C ATOM 282 C ALA A 22 -10.617 -4.261 3.049 1.00 0.00 C ATOM 283 O ALA A 22 -9.986 -4.087 4.090 1.00 0.00 O ATOM 284 CB ALA A 22 -11.241 -6.723 3.168 1.00 0.00 C ATOM 0 H ALA A 22 -8.742 -6.503 2.786 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.161 -5.518 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.274 -6.452 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.221 -7.657 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.694 -6.850 4.103 1.00 0.00 H new ATOM 290 N GLY A 23 -11.360 -3.336 2.458 1.00 0.00 N ATOM 291 CA GLY A 23 -11.480 -2.001 3.020 1.00 0.00 C ATOM 292 C GLY A 23 -12.884 -1.766 3.579 1.00 0.00 C ATOM 293 O GLY A 23 -13.732 -1.176 2.912 1.00 0.00 O ATOM 0 H GLY A 23 -11.885 -3.485 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.743 -1.868 3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.261 -1.258 2.253 1.00 0.00 H new ATOM 297 N ALA A 24 -13.089 -2.242 4.797 1.00 0.00 N ATOM 298 CA ALA A 24 -14.376 -2.093 5.455 1.00 0.00 C ATOM 299 C ALA A 24 -14.464 -0.700 6.081 1.00 0.00 C ATOM 300 O ALA A 24 -13.690 -0.368 6.978 1.00 0.00 O ATOM 301 CB ALA A 24 -14.556 -3.209 6.485 1.00 0.00 C ATOM 0 H ALA A 24 -12.384 -2.732 5.347 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.189 -2.183 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.522 -3.097 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.515 -4.176 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.760 -3.151 7.228 1.00 0.00 H new ATOM 307 N GLY A 25 -15.416 0.077 5.584 1.00 0.00 N ATOM 308 CA GLY A 25 -15.615 1.428 6.085 1.00 0.00 C ATOM 309 C GLY A 25 -14.394 2.306 5.799 1.00 0.00 C ATOM 310 O GLY A 25 -13.986 3.099 6.643 1.00 0.00 O ATOM 0 H GLY A 25 -16.057 -0.202 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.499 1.865 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.802 1.398 7.158 1.00 0.00 H new ATOM 314 N LEU A 26 -13.847 2.130 4.604 1.00 0.00 N ATOM 315 CA LEU A 26 -12.683 2.897 4.197 1.00 0.00 C ATOM 316 C LEU A 26 -13.114 3.995 3.224 1.00 0.00 C ATOM 317 O LEU A 26 -13.525 5.077 3.644 1.00 0.00 O ATOM 318 CB LEU A 26 -11.601 1.969 3.637 1.00 0.00 C ATOM 319 CG LEU A 26 -10.244 2.618 3.354 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.294 3.462 2.079 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.760 3.426 4.559 1.00 0.00 C ATOM 0 H LEU A 26 -14.188 1.469 3.907 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.234 3.393 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.451 1.151 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.971 1.528 2.711 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.515 1.825 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.317 3.911 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.561 2.828 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.040 4.249 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.794 3.876 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.482 4.211 4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.659 2.767 5.422 1.00 0.00 H new ATOM 333 N GLN A 27 -13.009 3.681 1.941 1.00 0.00 N ATOM 334 CA GLN A 27 -13.384 4.627 0.905 1.00 0.00 C ATOM 335 C GLN A 27 -14.765 5.219 1.201 1.00 0.00 C ATOM 336 O GLN A 27 -15.101 6.294 0.707 1.00 0.00 O ATOM 337 CB GLN A 27 -13.355 3.969 -0.477 1.00 0.00 C ATOM 338 CG GLN A 27 -11.943 4.002 -1.068 1.00 0.00 C ATOM 339 CD GLN A 27 -11.697 2.788 -1.967 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.558 2.351 -2.712 1.00 0.00 O ATOM 341 NE2 GLN A 27 -10.477 2.270 -1.853 1.00 0.00 N ATOM 0 H GLN A 27 -12.669 2.783 1.596 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.655 5.438 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.697 2.937 -0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.045 4.485 -1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.807 4.918 -1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.208 4.018 -0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.804 2.686 -1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.214 1.457 -2.410 1.00 0.00 H new ATOM 350 N ALA A 28 -15.523 4.490 2.005 1.00 0.00 N ATOM 351 CA ALA A 28 -16.861 4.929 2.371 1.00 0.00 C ATOM 352 C ALA A 28 -17.786 4.803 1.158 1.00 0.00 C ATOM 353 O ALA A 28 -18.937 5.234 1.205 1.00 0.00 O ATOM 354 CB ALA A 28 -16.797 6.360 2.909 1.00 0.00 C ATOM 0 H ALA A 28 -15.239 3.600 2.414 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.269 4.299 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.799 6.691 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.151 6.390 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.395 7.020 2.140 1.00 0.00 H new ATOM 360 N GLY A 29 -17.247 4.211 0.102 1.00 0.00 N ATOM 361 CA GLY A 29 -18.009 4.023 -1.119 1.00 0.00 C ATOM 362 C GLY A 29 -17.416 4.840 -2.268 1.00 0.00 C ATOM 363 O GLY A 29 -17.934 4.819 -3.384 1.00 0.00 O ATOM 0 H GLY A 29 -16.292 3.856 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.018 2.966 -1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.045 4.319 -0.954 1.00 0.00 H new ATOM 367 N THR A 30 -16.337 5.544 -1.955 1.00 0.00 N ATOM 368 CA THR A 30 -15.668 6.367 -2.947 1.00 0.00 C ATOM 369 C THR A 30 -14.762 5.508 -3.830 1.00 0.00 C ATOM 370 O THR A 30 -14.951 4.296 -3.928 1.00 0.00 O ATOM 371 CB THR A 30 -14.917 7.481 -2.210 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.718 7.734 -1.059 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.937 8.804 -2.976 1.00 0.00 C ATOM 0 H THR A 30 -15.910 5.561 -1.029 1.00 0.00 H new ATOM 0 HA THR A 30 -16.386 6.830 -3.624 1.00 0.00 H new ATOM 0 HB THR A 30 -13.885 7.175 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.221 7.483 -0.253 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.391 9.560 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.466 8.668 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.968 9.129 -3.114 1.00 0.00 H new ATOM 381 N ALA A 31 -13.797 6.169 -4.455 1.00 0.00 N ATOM 382 CA ALA A 31 -12.862 5.479 -5.328 1.00 0.00 C ATOM 383 C ALA A 31 -11.446 5.994 -5.060 1.00 0.00 C ATOM 384 O ALA A 31 -11.153 7.166 -5.298 1.00 0.00 O ATOM 385 CB ALA A 31 -13.287 5.670 -6.785 1.00 0.00 C ATOM 0 H ALA A 31 -13.643 7.174 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.867 4.408 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.586 5.152 -7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.287 5.261 -6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.292 6.733 -7.026 1.00 0.00 H new ATOM 391 N TYR A 32 -10.605 5.097 -4.571 1.00 0.00 N ATOM 392 CA TYR A 32 -9.228 5.446 -4.267 1.00 0.00 C ATOM 393 C TYR A 32 -8.254 4.549 -5.032 1.00 0.00 C ATOM 394 O TYR A 32 -8.643 3.501 -5.544 1.00 0.00 O ATOM 395 CB TYR A 32 -9.051 5.210 -2.765 1.00 0.00 C ATOM 396 CG TYR A 32 -9.757 6.245 -1.887 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.218 7.420 -2.439 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.928 6.000 -0.538 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.881 8.393 -1.610 1.00 0.00 C ATOM 400 CE2 TYR A 32 -10.591 6.973 0.292 1.00 0.00 C ATOM 401 CZ TYR A 32 -11.034 8.122 -0.287 1.00 0.00 C ATOM 402 OH TYR A 32 -11.662 9.041 0.497 1.00 0.00 O ATOM 0 H TYR A 32 -10.851 4.126 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.023 6.478 -4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.429 4.218 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.987 5.214 -2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.082 7.611 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.565 5.079 -0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.249 9.318 -2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.733 6.795 1.348 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.701 8.712 1.419 1.00 0.00 H new ATOM 412 N ASP A 33 -7.005 4.992 -5.085 1.00 0.00 N ATOM 413 CA ASP A 33 -5.973 4.241 -5.778 1.00 0.00 C ATOM 414 C ASP A 33 -5.331 3.250 -4.806 1.00 0.00 C ATOM 415 O ASP A 33 -4.757 3.650 -3.793 1.00 0.00 O ATOM 416 CB ASP A 33 -4.875 5.169 -6.301 1.00 0.00 C ATOM 417 CG ASP A 33 -5.097 5.698 -7.719 1.00 0.00 C ATOM 418 OD1 ASP A 33 -6.127 5.313 -8.313 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.230 6.475 -8.176 1.00 0.00 O ATOM 0 H ASP A 33 -6.686 5.862 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.438 3.723 -6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.784 6.018 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.925 4.635 -6.273 1.00 0.00 H new ATOM 425 N VAL A 34 -5.448 1.975 -5.147 1.00 0.00 N ATOM 426 CA VAL A 34 -4.884 0.923 -4.317 1.00 0.00 C ATOM 427 C VAL A 34 -3.376 0.843 -4.555 1.00 0.00 C ATOM 428 O VAL A 34 -2.925 0.818 -5.697 1.00 0.00 O ATOM 429 CB VAL A 34 -5.605 -0.399 -4.589 1.00 0.00 C ATOM 430 CG1 VAL A 34 -5.032 -1.524 -3.724 1.00 0.00 C ATOM 431 CG2 VAL A 34 -7.112 -0.257 -4.376 1.00 0.00 C ATOM 0 H VAL A 34 -5.925 1.646 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.033 1.148 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.439 -0.662 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.562 -2.452 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.973 -1.651 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.153 -1.271 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.599 -1.211 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.307 0.041 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.505 0.501 -5.054 1.00 0.00 H new ATOM 441 N GLY A 35 -2.637 0.805 -3.456 1.00 0.00 N ATOM 442 CA GLY A 35 -1.188 0.729 -3.531 1.00 0.00 C ATOM 443 C GLY A 35 -0.560 0.861 -2.142 1.00 0.00 C ATOM 444 O GLY A 35 -1.119 1.512 -1.262 1.00 0.00 O ATOM 0 H GLY A 35 -3.015 0.825 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.893 -0.220 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.812 1.519 -4.181 1.00 0.00 H new ATOM 448 N GLN A 36 0.596 0.231 -1.989 1.00 0.00 N ATOM 449 CA GLN A 36 1.307 0.269 -0.721 1.00 0.00 C ATOM 450 C GLN A 36 2.334 1.402 -0.723 1.00 0.00 C ATOM 451 O GLN A 36 3.302 1.368 -1.481 1.00 0.00 O ATOM 452 CB GLN A 36 1.975 -1.077 -0.428 1.00 0.00 C ATOM 453 CG GLN A 36 3.213 -1.276 -1.305 1.00 0.00 C ATOM 454 CD GLN A 36 3.044 -2.487 -2.224 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.459 -3.495 -1.865 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.589 -2.332 -3.428 1.00 0.00 N ATOM 0 H GLN A 36 1.058 -0.308 -2.721 1.00 0.00 H new ATOM 0 HA GLN A 36 0.586 0.461 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.258 -1.126 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.266 -1.885 -0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.387 -0.382 -1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.092 -1.413 -0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.065 -1.461 -3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.531 -3.084 -4.115 1.00 0.00 H new ATOM 465 N CYS A 37 2.086 2.382 0.134 1.00 0.00 N ATOM 466 CA CYS A 37 2.976 3.526 0.241 1.00 0.00 C ATOM 467 C CYS A 37 3.726 3.427 1.571 1.00 0.00 C ATOM 468 O CYS A 37 3.192 2.911 2.552 1.00 0.00 O ATOM 469 CB CYS A 37 2.220 4.848 0.108 1.00 0.00 C ATOM 470 SG CYS A 37 3.144 6.182 -0.738 1.00 0.00 S ATOM 0 H CYS A 37 1.282 2.407 0.761 1.00 0.00 H new ATOM 0 HA CYS A 37 3.692 3.511 -0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.293 4.667 -0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.943 5.193 1.104 1.00 0.00 H new ATOM 475 N ALA A 38 4.951 3.931 1.562 1.00 0.00 N ATOM 476 CA ALA A 38 5.779 3.907 2.758 1.00 0.00 C ATOM 477 C ALA A 38 7.024 4.767 2.526 1.00 0.00 C ATOM 478 O ALA A 38 7.395 5.036 1.385 1.00 0.00 O ATOM 479 CB ALA A 38 6.125 2.460 3.109 1.00 0.00 C ATOM 0 H ALA A 38 5.391 4.358 0.747 1.00 0.00 H new ATOM 0 HA ALA A 38 5.242 4.328 3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.745 2.441 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.208 1.900 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.669 2.005 2.281 1.00 0.00 H new ATOM 485 N TRP A 39 7.636 5.173 3.629 1.00 0.00 N ATOM 486 CA TRP A 39 8.831 5.995 3.561 1.00 0.00 C ATOM 487 C TRP A 39 9.972 5.128 3.025 1.00 0.00 C ATOM 488 O TRP A 39 10.426 4.207 3.701 1.00 0.00 O ATOM 489 CB TRP A 39 9.145 6.622 4.923 1.00 0.00 C ATOM 490 CG TRP A 39 9.019 5.650 6.096 1.00 0.00 C ATOM 491 CD1 TRP A 39 9.921 4.761 6.532 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.884 5.505 6.977 1.00 0.00 C ATOM 493 NE1 TRP A 39 9.452 4.056 7.623 1.00 0.00 N ATOM 494 CE2 TRP A 39 8.172 4.524 7.900 1.00 0.00 C ATOM 495 CE3 TRP A 39 6.652 6.184 6.988 1.00 0.00 C ATOM 496 CZ2 TRP A 39 7.282 4.130 8.907 1.00 0.00 C ATOM 497 CZ3 TRP A 39 5.772 5.780 8.001 1.00 0.00 C ATOM 498 CH2 TRP A 39 6.049 4.792 8.938 1.00 0.00 C ATOM 0 H TRP A 39 7.326 4.948 4.574 1.00 0.00 H new ATOM 0 HA TRP A 39 8.683 6.834 2.882 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.159 7.022 4.903 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.473 7.464 5.088 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.894 4.614 6.086 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.952 3.327 8.132 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.404 6.955 6.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.533 3.358 9.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 4.812 6.271 8.057 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.315 4.536 9.688 1.00 0.00 H new ATOM 509 N VAL A 40 10.403 5.454 1.815 1.00 0.00 N ATOM 510 CA VAL A 40 11.480 4.715 1.181 1.00 0.00 C ATOM 511 C VAL A 40 12.807 5.432 1.442 1.00 0.00 C ATOM 512 O VAL A 40 13.803 4.799 1.790 1.00 0.00 O ATOM 513 CB VAL A 40 11.184 4.531 -0.307 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.856 5.624 -1.142 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.611 3.141 -0.784 1.00 0.00 C ATOM 0 H VAL A 40 10.025 6.220 1.258 1.00 0.00 H new ATOM 0 HA VAL A 40 11.560 3.715 1.608 1.00 0.00 H new ATOM 0 HB VAL A 40 10.106 4.618 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.628 5.468 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.484 6.600 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.935 5.583 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.389 3.037 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.681 3.014 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.067 2.381 -0.223 1.00 0.00 H new ATOM 525 N ASP A 41 12.778 6.745 1.264 1.00 0.00 N ATOM 526 CA ASP A 41 13.963 7.557 1.477 1.00 0.00 C ATOM 527 C ASP A 41 14.003 8.025 2.931 1.00 0.00 C ATOM 528 O ASP A 41 13.308 7.475 3.785 1.00 0.00 O ATOM 529 CB ASP A 41 13.950 8.798 0.581 1.00 0.00 C ATOM 530 CG ASP A 41 15.195 8.978 -0.291 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.056 8.804 -1.521 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.256 9.289 0.292 1.00 0.00 O ATOM 0 H ASP A 41 11.951 7.267 0.974 1.00 0.00 H new ATOM 0 HA ASP A 41 14.835 6.948 1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.075 8.751 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.834 9.681 1.210 1.00 0.00 H new ATOM 538 N THR A 42 14.824 9.037 3.173 1.00 0.00 N ATOM 539 CA THR A 42 14.963 9.585 4.512 1.00 0.00 C ATOM 540 C THR A 42 13.659 10.254 4.951 1.00 0.00 C ATOM 541 O THR A 42 13.509 11.468 4.832 1.00 0.00 O ATOM 542 CB THR A 42 16.164 10.535 4.510 1.00 0.00 C ATOM 543 OG1 THR A 42 17.292 9.668 4.569 1.00 0.00 O ATOM 544 CG2 THR A 42 16.259 11.358 5.797 1.00 0.00 C ATOM 0 H THR A 42 15.400 9.492 2.464 1.00 0.00 H new ATOM 0 HA THR A 42 15.152 8.800 5.245 1.00 0.00 H new ATOM 0 HB THR A 42 16.096 11.206 3.653 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.114 10.201 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.127 12.015 5.745 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.356 11.958 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.362 10.688 6.651 1.00 0.00 H new ATOM 552 N GLY A 43 12.749 9.431 5.453 1.00 0.00 N ATOM 553 CA GLY A 43 11.463 9.929 5.912 1.00 0.00 C ATOM 554 C GLY A 43 10.640 10.479 4.746 1.00 0.00 C ATOM 555 O GLY A 43 9.773 11.330 4.940 1.00 0.00 O ATOM 0 H GLY A 43 12.877 8.424 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.913 9.127 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.616 10.712 6.655 1.00 0.00 H new ATOM 559 N VAL A 44 10.940 9.971 3.559 1.00 0.00 N ATOM 560 CA VAL A 44 10.240 10.402 2.361 1.00 0.00 C ATOM 561 C VAL A 44 9.218 9.335 1.961 1.00 0.00 C ATOM 562 O VAL A 44 9.590 8.253 1.508 1.00 0.00 O ATOM 563 CB VAL A 44 11.245 10.712 1.250 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.529 11.001 -0.071 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.157 11.874 1.646 1.00 0.00 C ATOM 0 H VAL A 44 11.659 9.265 3.402 1.00 0.00 H new ATOM 0 HA VAL A 44 9.691 11.324 2.551 1.00 0.00 H new ATOM 0 HB VAL A 44 11.870 9.830 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.266 11.218 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.941 10.131 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.869 11.860 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.862 12.074 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.554 12.763 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.706 11.614 2.551 1.00 0.00 H new ATOM 575 N LEU A 45 7.952 9.676 2.147 1.00 0.00 N ATOM 576 CA LEU A 45 6.874 8.761 1.811 1.00 0.00 C ATOM 577 C LEU A 45 6.907 8.469 0.309 1.00 0.00 C ATOM 578 O LEU A 45 6.424 9.266 -0.493 1.00 0.00 O ATOM 579 CB LEU A 45 5.532 9.311 2.302 1.00 0.00 C ATOM 580 CG LEU A 45 4.784 8.444 3.317 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.881 9.300 4.208 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.005 7.328 2.618 1.00 0.00 C ATOM 0 H LEU A 45 7.648 10.573 2.526 1.00 0.00 H new ATOM 0 HA LEU A 45 7.009 7.809 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.704 10.291 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.886 9.463 1.437 1.00 0.00 H new ATOM 0 HG LEU A 45 5.519 7.966 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.361 8.660 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.487 10.027 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.151 9.824 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.483 6.727 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.280 7.765 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.696 6.695 2.061 1.00 0.00 H new ATOM 594 N ALA A 46 7.481 7.322 -0.026 1.00 0.00 N ATOM 595 CA ALA A 46 7.583 6.915 -1.417 1.00 0.00 C ATOM 596 C ALA A 46 6.663 5.719 -1.661 1.00 0.00 C ATOM 597 O ALA A 46 6.559 4.828 -0.820 1.00 0.00 O ATOM 598 CB ALA A 46 9.043 6.605 -1.753 1.00 0.00 C ATOM 0 H ALA A 46 7.880 6.662 0.642 1.00 0.00 H new ATOM 0 HA ALA A 46 7.261 7.720 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.119 6.300 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.651 7.495 -1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.401 5.799 -1.112 1.00 0.00 H new ATOM 604 N CYS A 47 6.015 5.740 -2.819 1.00 0.00 N ATOM 605 CA CYS A 47 5.104 4.667 -3.185 1.00 0.00 C ATOM 606 C CYS A 47 5.797 3.785 -4.226 1.00 0.00 C ATOM 607 O CYS A 47 6.696 4.239 -4.931 1.00 0.00 O ATOM 608 CB CYS A 47 3.768 5.210 -3.696 1.00 0.00 C ATOM 609 SG CYS A 47 3.031 6.529 -2.663 1.00 0.00 S ATOM 0 H CYS A 47 6.103 6.481 -3.514 1.00 0.00 H new ATOM 0 HA CYS A 47 4.866 4.071 -2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.911 5.595 -4.706 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.059 4.385 -3.767 1.00 0.00 H new ATOM 614 N ASN A 48 5.351 2.538 -4.287 1.00 0.00 N ATOM 615 CA ASN A 48 5.918 1.588 -5.229 1.00 0.00 C ATOM 616 C ASN A 48 5.223 1.742 -6.583 1.00 0.00 C ATOM 617 O ASN A 48 4.208 2.431 -6.688 1.00 0.00 O ATOM 618 CB ASN A 48 5.709 0.148 -4.752 1.00 0.00 C ATOM 619 CG ASN A 48 5.885 0.042 -3.236 1.00 0.00 C ATOM 620 OD1 ASN A 48 5.371 -0.854 -2.586 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.635 1.006 -2.709 1.00 0.00 N ATOM 0 H ASN A 48 4.605 2.165 -3.700 1.00 0.00 H new ATOM 0 HA ASN A 48 6.986 1.790 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.711 -0.190 -5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.419 -0.511 -5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.809 1.025 -1.704 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.036 1.726 -3.310 1.00 0.00 H new ATOM 628 N PRO A 49 5.808 1.071 -7.610 1.00 0.00 N ATOM 629 CA PRO A 49 5.254 1.128 -8.953 1.00 0.00 C ATOM 630 C PRO A 49 3.996 0.266 -9.064 1.00 0.00 C ATOM 631 O PRO A 49 3.280 0.331 -10.062 1.00 0.00 O ATOM 632 CB PRO A 49 6.379 0.656 -9.861 1.00 0.00 C ATOM 633 CG PRO A 49 7.356 -0.086 -8.964 1.00 0.00 C ATOM 634 CD PRO A 49 7.009 0.245 -7.522 1.00 0.00 C ATOM 0 HA PRO A 49 4.927 2.130 -9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.999 0.004 -10.647 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.864 1.499 -10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.291 -1.160 -9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.381 0.211 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.826 -0.659 -6.941 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.822 0.780 -7.032 1.00 0.00 H new ATOM 642 N ALA A 50 3.763 -0.523 -8.026 1.00 0.00 N ATOM 643 CA ALA A 50 2.603 -1.396 -7.992 1.00 0.00 C ATOM 644 C ALA A 50 1.562 -0.820 -7.030 1.00 0.00 C ATOM 645 O ALA A 50 0.614 -1.506 -6.651 1.00 0.00 O ATOM 646 CB ALA A 50 3.038 -2.810 -7.602 1.00 0.00 C ATOM 0 H ALA A 50 4.360 -0.576 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 50 2.142 -1.457 -8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.167 -3.465 -7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.753 -3.186 -8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.504 -2.789 -6.617 1.00 0.00 H new ATOM 652 N ASP A 51 1.774 0.435 -6.663 1.00 0.00 N ATOM 653 CA ASP A 51 0.867 1.112 -5.750 1.00 0.00 C ATOM 654 C ASP A 51 -0.232 1.809 -6.555 1.00 0.00 C ATOM 655 O ASP A 51 -1.039 2.548 -5.999 1.00 0.00 O ATOM 656 CB ASP A 51 1.600 2.176 -4.931 1.00 0.00 C ATOM 657 CG ASP A 51 0.718 3.314 -4.411 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.287 3.208 -3.243 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.495 4.262 -5.195 1.00 0.00 O ATOM 0 H ASP A 51 2.560 1.001 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 51 0.448 0.365 -5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.080 1.691 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.393 2.603 -5.545 1.00 0.00 H new ATOM 665 N PHE A 52 -0.226 1.548 -7.854 1.00 0.00 N ATOM 666 CA PHE A 52 -1.212 2.139 -8.742 1.00 0.00 C ATOM 667 C PHE A 52 -2.246 1.102 -9.185 1.00 0.00 C ATOM 668 O PHE A 52 -2.051 0.414 -10.185 1.00 0.00 O ATOM 669 CB PHE A 52 -0.457 2.646 -9.972 1.00 0.00 C ATOM 670 CG PHE A 52 0.916 3.244 -9.660 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.053 4.140 -8.646 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.000 2.877 -10.393 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.327 4.693 -8.355 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.276 3.429 -10.103 1.00 0.00 C ATOM 675 CZ PHE A 52 3.413 4.326 -9.090 1.00 0.00 C ATOM 0 H PHE A 52 0.447 0.934 -8.313 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.741 2.942 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.331 1.821 -10.673 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.064 3.400 -10.473 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.192 4.431 -8.062 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.891 2.164 -11.197 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.435 5.405 -7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.137 3.137 -10.686 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.383 4.747 -8.869 1.00 0.00 H new ATOM 685 N SER A 53 -3.323 1.022 -8.416 1.00 0.00 N ATOM 686 CA SER A 53 -4.388 0.082 -8.716 1.00 0.00 C ATOM 687 C SER A 53 -5.741 0.685 -8.339 1.00 0.00 C ATOM 688 O SER A 53 -6.309 0.348 -7.301 1.00 0.00 O ATOM 689 CB SER A 53 -4.174 -1.244 -7.980 1.00 0.00 C ATOM 690 OG SER A 53 -3.908 -2.318 -8.878 1.00 0.00 O ATOM 0 H SER A 53 -3.480 1.593 -7.586 1.00 0.00 H new ATOM 0 HA SER A 53 -4.374 -0.120 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.343 -1.141 -7.282 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.060 -1.477 -7.389 1.00 0.00 H new ATOM 0 HG SER A 53 -2.972 -2.596 -8.788 1.00 0.00 H new ATOM 696 N SER A 54 -6.221 1.566 -9.204 1.00 0.00 N ATOM 697 CA SER A 54 -7.499 2.220 -8.975 1.00 0.00 C ATOM 698 C SER A 54 -8.542 1.191 -8.539 1.00 0.00 C ATOM 699 O SER A 54 -8.590 0.083 -9.071 1.00 0.00 O ATOM 700 CB SER A 54 -7.971 2.959 -10.229 1.00 0.00 C ATOM 701 OG SER A 54 -8.123 2.077 -11.341 1.00 0.00 O ATOM 0 H SER A 54 -5.748 1.843 -10.065 1.00 0.00 H new ATOM 0 HA SER A 54 -7.371 2.955 -8.180 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.921 3.452 -10.024 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.254 3.741 -10.481 1.00 0.00 H new ATOM 0 HG SER A 54 -8.427 2.585 -12.122 1.00 0.00 H new ATOM 707 N VAL A 55 -9.355 1.594 -7.572 1.00 0.00 N ATOM 708 CA VAL A 55 -10.396 0.720 -7.057 1.00 0.00 C ATOM 709 C VAL A 55 -11.407 1.550 -6.265 1.00 0.00 C ATOM 710 O VAL A 55 -11.109 2.672 -5.854 1.00 0.00 O ATOM 711 CB VAL A 55 -9.772 -0.408 -6.233 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.928 -0.142 -4.733 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.371 -1.762 -6.615 1.00 0.00 C ATOM 0 H VAL A 55 -9.314 2.513 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.936 0.245 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.706 -0.438 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.476 -0.959 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.432 0.794 -4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.987 -0.072 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.910 -2.546 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.445 -1.749 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.185 -1.957 -7.671 1.00 0.00 H new ATOM 723 N THR A 56 -12.583 0.969 -6.074 1.00 0.00 N ATOM 724 CA THR A 56 -13.640 1.644 -5.339 1.00 0.00 C ATOM 725 C THR A 56 -14.255 0.698 -4.305 1.00 0.00 C ATOM 726 O THR A 56 -14.149 -0.522 -4.434 1.00 0.00 O ATOM 727 CB THR A 56 -14.654 2.179 -6.352 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.576 3.595 -6.205 1.00 0.00 O ATOM 729 CG2 THR A 56 -16.096 1.843 -5.969 1.00 0.00 C ATOM 0 H THR A 56 -12.827 0.039 -6.415 1.00 0.00 H new ATOM 0 HA THR A 56 -13.251 2.489 -4.771 1.00 0.00 H new ATOM 0 HB THR A 56 -14.435 1.768 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.114 3.874 -5.435 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.775 2.245 -6.721 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.215 0.761 -5.914 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.327 2.283 -4.999 1.00 0.00 H new ATOM 737 N ALA A 57 -14.884 1.295 -3.305 1.00 0.00 N ATOM 738 CA ALA A 57 -15.516 0.522 -2.250 1.00 0.00 C ATOM 739 C ALA A 57 -17.036 0.582 -2.421 1.00 0.00 C ATOM 740 O ALA A 57 -17.564 1.548 -2.971 1.00 0.00 O ATOM 741 CB ALA A 57 -15.062 1.048 -0.887 1.00 0.00 C ATOM 0 H ALA A 57 -14.970 2.306 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.217 -0.525 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.537 0.467 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.979 0.956 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.346 2.096 -0.788 1.00 0.00 H new ATOM 747 N ASP A 58 -17.696 -0.458 -1.935 1.00 0.00 N ATOM 748 CA ASP A 58 -19.145 -0.536 -2.027 1.00 0.00 C ATOM 749 C ASP A 58 -19.765 0.568 -1.167 1.00 0.00 C ATOM 750 O ASP A 58 -19.121 1.086 -0.256 1.00 0.00 O ATOM 751 CB ASP A 58 -19.659 -1.881 -1.512 1.00 0.00 C ATOM 752 CG ASP A 58 -18.699 -3.057 -1.705 1.00 0.00 C ATOM 753 OD1 ASP A 58 -18.925 -4.090 -1.039 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.763 -2.896 -2.518 1.00 0.00 O ATOM 0 H ASP A 58 -17.255 -1.255 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.423 -0.422 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.883 -1.785 -0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.598 -2.111 -2.016 1.00 0.00 H new ATOM 760 N ALA A 59 -21.007 0.897 -1.487 1.00 0.00 N ATOM 761 CA ALA A 59 -21.722 1.929 -0.756 1.00 0.00 C ATOM 762 C ALA A 59 -21.420 1.790 0.738 1.00 0.00 C ATOM 763 O ALA A 59 -21.432 2.778 1.470 1.00 0.00 O ATOM 764 CB ALA A 59 -23.218 1.827 -1.059 1.00 0.00 C ATOM 0 H ALA A 59 -21.538 0.466 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.393 2.920 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.754 2.601 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.383 1.960 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.585 0.847 -0.755 1.00 0.00 H new ATOM 770 N ASN A 60 -21.154 0.559 1.144 1.00 0.00 N ATOM 771 CA ASN A 60 -20.851 0.279 2.537 1.00 0.00 C ATOM 772 C ASN A 60 -19.347 0.439 2.768 1.00 0.00 C ATOM 773 O ASN A 60 -18.756 -0.286 3.566 1.00 0.00 O ATOM 774 CB ASN A 60 -21.236 -1.154 2.909 1.00 0.00 C ATOM 775 CG ASN A 60 -21.910 -1.201 4.281 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.621 -0.418 5.172 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.821 -2.163 4.403 1.00 0.00 N ATOM 0 H ASN A 60 -21.142 -0.257 0.533 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.421 0.976 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.909 -1.561 2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.346 -1.784 2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.326 -2.279 5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.015 -2.784 3.618 1.00 0.00 H new ATOM 784 N GLY A 61 -18.769 1.393 2.052 1.00 0.00 N ATOM 785 CA GLY A 61 -17.345 1.656 2.169 1.00 0.00 C ATOM 786 C GLY A 61 -16.549 0.351 2.245 1.00 0.00 C ATOM 787 O GLY A 61 -15.610 0.239 3.032 1.00 0.00 O ATOM 0 H GLY A 61 -19.261 1.993 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.009 2.242 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.154 2.254 3.060 1.00 0.00 H new ATOM 791 N SER A 62 -16.956 -0.602 1.421 1.00 0.00 N ATOM 792 CA SER A 62 -16.293 -1.894 1.388 1.00 0.00 C ATOM 793 C SER A 62 -15.496 -2.041 0.091 1.00 0.00 C ATOM 794 O SER A 62 -16.063 -2.332 -0.963 1.00 0.00 O ATOM 795 CB SER A 62 -17.305 -3.035 1.520 1.00 0.00 C ATOM 796 OG SER A 62 -18.184 -2.843 2.625 1.00 0.00 O ATOM 0 H SER A 62 -17.736 -0.506 0.771 1.00 0.00 H new ATOM 0 HA SER A 62 -15.609 -1.949 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.888 -3.111 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.774 -3.979 1.639 1.00 0.00 H new ATOM 0 HG SER A 62 -18.228 -1.889 2.846 1.00 0.00 H new ATOM 802 N ALA A 63 -14.193 -1.827 0.205 1.00 0.00 N ATOM 803 CA ALA A 63 -13.313 -1.932 -0.945 1.00 0.00 C ATOM 804 C ALA A 63 -12.512 -3.233 -0.852 1.00 0.00 C ATOM 805 O ALA A 63 -11.397 -3.242 -0.330 1.00 0.00 O ATOM 806 CB ALA A 63 -12.413 -0.696 -1.013 1.00 0.00 C ATOM 0 H ALA A 63 -13.726 -1.581 1.078 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.890 -1.966 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.752 -0.774 -1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.029 0.198 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.816 -0.630 -0.104 1.00 0.00 H new ATOM 812 N SER A 64 -13.109 -4.296 -1.367 1.00 0.00 N ATOM 813 CA SER A 64 -12.466 -5.599 -1.348 1.00 0.00 C ATOM 814 C SER A 64 -11.602 -5.771 -2.601 1.00 0.00 C ATOM 815 O SER A 64 -11.993 -6.468 -3.536 1.00 0.00 O ATOM 816 CB SER A 64 -13.499 -6.723 -1.257 1.00 0.00 C ATOM 817 OG SER A 64 -14.574 -6.537 -2.174 1.00 0.00 O ATOM 0 H SER A 64 -14.032 -4.282 -1.801 1.00 0.00 H new ATOM 0 HA SER A 64 -11.831 -5.656 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.014 -7.678 -1.457 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.893 -6.772 -0.242 1.00 0.00 H new ATOM 0 HG SER A 64 -14.217 -6.438 -3.081 1.00 0.00 H new ATOM 823 N THR A 65 -10.446 -5.127 -2.578 1.00 0.00 N ATOM 824 CA THR A 65 -9.523 -5.203 -3.698 1.00 0.00 C ATOM 825 C THR A 65 -8.326 -6.086 -3.346 1.00 0.00 C ATOM 826 O THR A 65 -7.819 -6.033 -2.226 1.00 0.00 O ATOM 827 CB THR A 65 -9.133 -3.775 -4.084 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.688 -3.890 -5.434 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.900 -3.280 -3.327 1.00 0.00 C ATOM 0 H THR A 65 -10.126 -4.549 -1.801 1.00 0.00 H new ATOM 0 HA THR A 65 -9.989 -5.675 -4.563 1.00 0.00 H new ATOM 0 HB THR A 65 -9.971 -3.105 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.094 -3.140 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.666 -2.262 -3.638 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.100 -3.295 -2.256 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.053 -3.930 -3.547 1.00 0.00 H new ATOM 837 N SER A 66 -7.908 -6.878 -4.322 1.00 0.00 N ATOM 838 CA SER A 66 -6.778 -7.771 -4.129 1.00 0.00 C ATOM 839 C SER A 66 -5.538 -7.204 -4.824 1.00 0.00 C ATOM 840 O SER A 66 -5.627 -6.680 -5.932 1.00 0.00 O ATOM 841 CB SER A 66 -7.088 -9.173 -4.658 1.00 0.00 C ATOM 842 OG SER A 66 -7.039 -9.229 -6.082 1.00 0.00 O ATOM 0 H SER A 66 -8.331 -6.920 -5.249 1.00 0.00 H new ATOM 0 HA SER A 66 -6.583 -7.850 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.374 -9.884 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.077 -9.479 -4.317 1.00 0.00 H new ATOM 0 HG SER A 66 -7.241 -10.140 -6.381 1.00 0.00 H new ATOM 848 N LEU A 67 -4.408 -7.332 -4.142 1.00 0.00 N ATOM 849 CA LEU A 67 -3.151 -6.838 -4.680 1.00 0.00 C ATOM 850 C LEU A 67 -2.017 -7.770 -4.248 1.00 0.00 C ATOM 851 O LEU A 67 -2.208 -8.632 -3.391 1.00 0.00 O ATOM 852 CB LEU A 67 -2.933 -5.378 -4.280 1.00 0.00 C ATOM 853 CG LEU A 67 -2.798 -4.381 -5.431 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.670 -4.788 -6.381 1.00 0.00 C ATOM 855 CD2 LEU A 67 -4.128 -4.203 -6.164 1.00 0.00 C ATOM 0 H LEU A 67 -4.337 -7.770 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.174 -6.845 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.767 -5.066 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.033 -5.320 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.531 -3.411 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.596 -4.062 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.727 -4.819 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.882 -5.773 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.002 -3.489 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.451 -5.162 -6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.880 -3.832 -5.468 1.00 0.00 H new ATOM 867 N THR A 68 -0.860 -7.566 -4.861 1.00 0.00 N ATOM 868 CA THR A 68 0.304 -8.377 -4.551 1.00 0.00 C ATOM 869 C THR A 68 1.286 -7.589 -3.681 1.00 0.00 C ATOM 870 O THR A 68 1.583 -6.431 -3.967 1.00 0.00 O ATOM 871 CB THR A 68 0.913 -8.856 -5.872 1.00 0.00 C ATOM 872 OG1 THR A 68 1.978 -9.715 -5.471 1.00 0.00 O ATOM 873 CG2 THR A 68 1.610 -7.730 -6.638 1.00 0.00 C ATOM 0 H THR A 68 -0.704 -6.850 -5.571 1.00 0.00 H new ATOM 0 HA THR A 68 0.030 -9.254 -3.965 1.00 0.00 H new ATOM 0 HB THR A 68 0.132 -9.289 -6.496 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.427 -10.072 -6.265 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.024 -8.124 -7.566 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.889 -6.945 -6.866 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.414 -7.318 -6.028 1.00 0.00 H new ATOM 881 N VAL A 69 1.762 -8.250 -2.636 1.00 0.00 N ATOM 882 CA VAL A 69 2.704 -7.627 -1.722 1.00 0.00 C ATOM 883 C VAL A 69 4.129 -7.858 -2.230 1.00 0.00 C ATOM 884 O VAL A 69 4.791 -8.810 -1.820 1.00 0.00 O ATOM 885 CB VAL A 69 2.481 -8.153 -0.302 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.546 -7.613 0.655 1.00 0.00 C ATOM 887 CG2 VAL A 69 1.076 -7.813 0.195 1.00 0.00 C ATOM 0 H VAL A 69 1.513 -9.211 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 69 2.544 -6.550 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 69 2.573 -9.239 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.365 -8.001 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.533 -7.928 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.500 -6.524 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.945 -8.198 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.943 -6.731 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.337 -8.267 -0.465 1.00 0.00 H new ATOM 897 N ARG A 70 4.559 -6.970 -3.112 1.00 0.00 N ATOM 898 CA ARG A 70 5.895 -7.064 -3.680 1.00 0.00 C ATOM 899 C ARG A 70 6.894 -6.296 -2.813 1.00 0.00 C ATOM 900 O ARG A 70 7.376 -5.236 -3.210 1.00 0.00 O ATOM 901 CB ARG A 70 5.927 -6.505 -5.104 1.00 0.00 C ATOM 902 CG ARG A 70 5.715 -7.618 -6.134 1.00 0.00 C ATOM 903 CD ARG A 70 6.233 -7.197 -7.510 1.00 0.00 C ATOM 904 NE ARG A 70 7.427 -7.996 -7.867 1.00 0.00 N ATOM 905 CZ ARG A 70 7.982 -8.012 -9.087 1.00 0.00 C ATOM 906 NH1 ARG A 70 7.457 -7.275 -10.072 1.00 0.00 N ATOM 907 NH2 ARG A 70 9.067 -8.767 -9.319 1.00 0.00 N ATOM 0 H ARG A 70 4.007 -6.181 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 70 6.171 -8.118 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.153 -5.746 -5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.883 -6.014 -5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.230 -8.522 -5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.654 -7.861 -6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.454 -7.337 -8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.483 -6.136 -7.505 1.00 0.00 H new ATOM 0 HE ARG A 70 7.854 -8.570 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.633 -6.700 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.880 -7.288 -11.000 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.468 -9.328 -8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.490 -8.780 -10.247 1.00 0.00 H new ATOM 921 N ARG A 71 7.177 -6.860 -1.649 1.00 0.00 N ATOM 922 CA ARG A 71 8.112 -6.242 -0.725 1.00 0.00 C ATOM 923 C ARG A 71 9.234 -5.541 -1.494 1.00 0.00 C ATOM 924 O ARG A 71 9.744 -4.512 -1.055 1.00 0.00 O ATOM 925 CB ARG A 71 8.719 -7.280 0.219 1.00 0.00 C ATOM 926 CG ARG A 71 9.380 -6.605 1.424 1.00 0.00 C ATOM 927 CD ARG A 71 10.069 -7.635 2.321 1.00 0.00 C ATOM 928 NE ARG A 71 9.067 -8.562 2.891 1.00 0.00 N ATOM 929 CZ ARG A 71 9.320 -9.424 3.885 1.00 0.00 C ATOM 930 NH1 ARG A 71 10.545 -9.484 4.423 1.00 0.00 N ATOM 931 NH2 ARG A 71 8.348 -10.227 4.340 1.00 0.00 N ATOM 0 H ARG A 71 6.775 -7.739 -1.324 1.00 0.00 H new ATOM 0 HA ARG A 71 7.561 -5.510 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.942 -7.964 0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.456 -7.878 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.109 -5.872 1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.629 -6.062 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.807 -8.194 1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.606 -7.129 3.123 1.00 0.00 H new ATOM 0 HE ARG A 71 8.124 -8.544 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.285 -8.874 4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.738 -10.140 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.415 -10.182 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.541 -10.883 5.097 1.00 0.00 H new ATOM 945 N SER A 72 9.586 -6.128 -2.630 1.00 0.00 N ATOM 946 CA SER A 72 10.638 -5.574 -3.463 1.00 0.00 C ATOM 947 C SER A 72 10.030 -4.735 -4.588 1.00 0.00 C ATOM 948 O SER A 72 9.245 -5.241 -5.389 1.00 0.00 O ATOM 949 CB SER A 72 11.521 -6.681 -4.043 1.00 0.00 C ATOM 950 OG SER A 72 11.160 -7.004 -5.385 1.00 0.00 O ATOM 0 H SER A 72 9.160 -6.982 -2.992 1.00 0.00 H new ATOM 0 HA SER A 72 11.265 -4.934 -2.841 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.564 -6.366 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.440 -7.573 -3.421 1.00 0.00 H new ATOM 0 HG SER A 72 10.191 -7.136 -5.440 1.00 0.00 H new ATOM 956 N PHE A 73 10.411 -3.467 -4.611 1.00 0.00 N ATOM 957 CA PHE A 73 9.910 -2.554 -5.624 1.00 0.00 C ATOM 958 C PHE A 73 10.714 -1.251 -5.632 1.00 0.00 C ATOM 959 O PHE A 73 11.521 -1.010 -4.737 1.00 0.00 O ATOM 960 CB PHE A 73 8.456 -2.241 -5.266 1.00 0.00 C ATOM 961 CG PHE A 73 8.192 -2.149 -3.761 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.029 -1.431 -2.966 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.120 -2.787 -3.220 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.785 -1.349 -1.570 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.873 -2.702 -1.824 1.00 0.00 C ATOM 966 CZ PHE A 73 7.712 -1.984 -1.028 1.00 0.00 C ATOM 0 H PHE A 73 11.061 -3.050 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 73 9.996 -3.009 -6.611 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.173 -1.298 -5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.814 -3.012 -5.691 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.879 -0.923 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.456 -3.358 -3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.452 -0.782 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.020 -3.207 -1.394 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.525 -1.919 0.034 1.00 0.00 H new ATOM 976 N GLU A 74 10.464 -0.446 -6.655 1.00 0.00 N ATOM 977 CA GLU A 74 11.154 0.826 -6.791 1.00 0.00 C ATOM 978 C GLU A 74 10.361 1.937 -6.099 1.00 0.00 C ATOM 979 O GLU A 74 9.285 2.314 -6.560 1.00 0.00 O ATOM 980 CB GLU A 74 11.397 1.161 -8.264 1.00 0.00 C ATOM 981 CG GLU A 74 12.351 2.350 -8.405 1.00 0.00 C ATOM 982 CD GLU A 74 13.798 1.878 -8.543 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.665 2.510 -7.900 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.007 0.897 -9.289 1.00 0.00 O ATOM 0 H GLU A 74 9.794 -0.650 -7.397 1.00 0.00 H new ATOM 0 HA GLU A 74 12.126 0.745 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.814 0.293 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.449 1.391 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.073 2.942 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.258 3.000 -7.535 1.00 0.00 H new ATOM 992 N GLY A 75 10.924 2.427 -5.005 1.00 0.00 N ATOM 993 CA GLY A 75 10.284 3.486 -4.245 1.00 0.00 C ATOM 994 C GLY A 75 10.280 4.800 -5.030 1.00 0.00 C ATOM 995 O GLY A 75 11.270 5.144 -5.674 1.00 0.00 O ATOM 0 H GLY A 75 11.817 2.110 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.260 3.199 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.806 3.625 -3.298 1.00 0.00 H new ATOM 999 N PHE A 76 9.157 5.498 -4.949 1.00 0.00 N ATOM 1000 CA PHE A 76 9.013 6.765 -5.644 1.00 0.00 C ATOM 1001 C PHE A 76 8.665 7.890 -4.668 1.00 0.00 C ATOM 1002 O PHE A 76 7.561 7.929 -4.128 1.00 0.00 O ATOM 1003 CB PHE A 76 7.864 6.601 -6.642 1.00 0.00 C ATOM 1004 CG PHE A 76 8.300 6.071 -8.010 1.00 0.00 C ATOM 1005 CD1 PHE A 76 9.059 4.945 -8.093 1.00 0.00 C ATOM 1006 CD2 PHE A 76 7.928 6.725 -9.143 1.00 0.00 C ATOM 1007 CE1 PHE A 76 9.464 4.454 -9.363 1.00 0.00 C ATOM 1008 CE2 PHE A 76 8.333 6.234 -10.412 1.00 0.00 C ATOM 1009 CZ PHE A 76 9.091 5.109 -10.495 1.00 0.00 C ATOM 0 H PHE A 76 8.339 5.210 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 76 9.949 7.025 -6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.123 5.922 -6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.373 7.565 -6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.354 4.425 -7.194 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.324 7.618 -9.077 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.068 3.561 -9.430 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.039 6.754 -11.311 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.397 4.735 -11.461 1.00 0.00 H new ATOM 1019 N LEU A 77 9.630 8.777 -4.468 1.00 0.00 N ATOM 1020 CA LEU A 77 9.439 9.899 -3.567 1.00 0.00 C ATOM 1021 C LEU A 77 8.243 10.729 -4.036 1.00 0.00 C ATOM 1022 O LEU A 77 8.133 11.050 -5.218 1.00 0.00 O ATOM 1023 CB LEU A 77 10.733 10.705 -3.432 1.00 0.00 C ATOM 1024 CG LEU A 77 11.985 9.906 -3.069 1.00 0.00 C ATOM 1025 CD1 LEU A 77 11.617 8.593 -2.375 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.867 9.677 -4.299 1.00 0.00 C ATOM 0 H LEU A 77 10.546 8.740 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 77 9.206 9.544 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.916 11.221 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.582 11.472 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 77 12.569 10.492 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.526 8.045 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.063 8.807 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.999 7.990 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.750 9.106 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.306 9.123 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.174 10.638 -4.711 1.00 0.00 H new ATOM 1038 N PHE A 78 7.379 11.055 -3.086 1.00 0.00 N ATOM 1039 CA PHE A 78 6.195 11.843 -3.389 1.00 0.00 C ATOM 1040 C PHE A 78 6.577 13.198 -3.985 1.00 0.00 C ATOM 1041 O PHE A 78 5.772 13.831 -4.666 1.00 0.00 O ATOM 1042 CB PHE A 78 5.459 12.068 -2.067 1.00 0.00 C ATOM 1043 CG PHE A 78 6.014 13.224 -1.233 1.00 0.00 C ATOM 1044 CD1 PHE A 78 7.255 13.133 -0.685 1.00 0.00 C ATOM 1045 CD2 PHE A 78 5.269 14.346 -1.044 1.00 0.00 C ATOM 1046 CE1 PHE A 78 7.772 14.207 0.087 1.00 0.00 C ATOM 1047 CE2 PHE A 78 5.785 15.420 -0.271 1.00 0.00 C ATOM 1048 CZ PHE A 78 7.025 15.326 0.279 1.00 0.00 C ATOM 0 H PHE A 78 7.475 10.788 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 78 5.574 11.320 -4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.406 12.258 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.506 11.153 -1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.848 12.243 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.285 14.420 -1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.758 14.135 0.521 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.193 16.311 -0.120 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.417 16.141 0.869 1.00 0.00 H new ATOM 1058 N ASP A 79 7.806 13.608 -3.706 1.00 0.00 N ATOM 1059 CA ASP A 79 8.305 14.877 -4.206 1.00 0.00 C ATOM 1060 C ASP A 79 8.241 14.878 -5.734 1.00 0.00 C ATOM 1061 O ASP A 79 7.673 15.790 -6.334 1.00 0.00 O ATOM 1062 CB ASP A 79 9.760 15.099 -3.792 1.00 0.00 C ATOM 1063 CG ASP A 79 10.004 16.322 -2.908 1.00 0.00 C ATOM 1064 OD1 ASP A 79 9.963 16.145 -1.670 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.225 17.407 -3.487 1.00 0.00 O ATOM 0 H ASP A 79 8.471 13.082 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 79 7.687 15.671 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.110 14.212 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.367 15.194 -4.692 1.00 0.00 H new ATOM 1071 N GLY A 80 8.833 13.848 -6.320 1.00 0.00 N ATOM 1072 CA GLY A 80 8.850 13.720 -7.768 1.00 0.00 C ATOM 1073 C GLY A 80 9.993 12.811 -8.223 1.00 0.00 C ATOM 1074 O GLY A 80 9.910 12.184 -9.278 1.00 0.00 O ATOM 0 H GLY A 80 9.304 13.095 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.899 13.314 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.960 14.704 -8.223 1.00 0.00 H new ATOM 1078 N THR A 81 11.035 12.768 -7.406 1.00 0.00 N ATOM 1079 CA THR A 81 12.194 11.945 -7.711 1.00 0.00 C ATOM 1080 C THR A 81 11.948 10.497 -7.284 1.00 0.00 C ATOM 1081 O THR A 81 11.212 10.244 -6.333 1.00 0.00 O ATOM 1082 CB THR A 81 13.413 12.579 -7.038 1.00 0.00 C ATOM 1083 OG1 THR A 81 14.397 11.549 -7.065 1.00 0.00 O ATOM 1084 CG2 THR A 81 13.189 12.844 -5.548 1.00 0.00 C ATOM 0 H THR A 81 11.101 13.290 -6.532 1.00 0.00 H new ATOM 0 HA THR A 81 12.380 11.906 -8.784 1.00 0.00 H new ATOM 0 HB THR A 81 13.658 13.516 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.223 11.874 -6.650 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.085 13.294 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.346 13.523 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.977 11.904 -5.039 1.00 0.00 H new ATOM 1092 N ARG A 82 12.577 9.585 -8.010 1.00 0.00 N ATOM 1093 CA ARG A 82 12.436 8.169 -7.719 1.00 0.00 C ATOM 1094 C ARG A 82 13.631 7.674 -6.902 1.00 0.00 C ATOM 1095 O ARG A 82 14.772 8.042 -7.177 1.00 0.00 O ATOM 1096 CB ARG A 82 12.331 7.348 -9.006 1.00 0.00 C ATOM 1097 CG ARG A 82 11.116 7.778 -9.831 1.00 0.00 C ATOM 1098 CD ARG A 82 11.544 8.591 -11.055 1.00 0.00 C ATOM 1099 NE ARG A 82 10.440 9.481 -11.480 1.00 0.00 N ATOM 1100 CZ ARG A 82 10.339 10.020 -12.703 1.00 0.00 C ATOM 1101 NH1 ARG A 82 11.276 9.763 -13.627 1.00 0.00 N ATOM 1102 NH2 ARG A 82 9.304 10.817 -13.001 1.00 0.00 N ATOM 0 H ARG A 82 13.186 9.799 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 82 11.519 8.039 -7.144 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.239 7.472 -9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.253 6.289 -8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.559 6.897 -10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.444 8.372 -9.212 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.429 9.182 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.817 7.921 -11.870 1.00 0.00 H new ATOM 0 HE ARG A 82 9.711 9.697 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.065 9.158 -13.399 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.200 10.173 -14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.593 11.014 -12.297 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.228 11.227 -13.932 1.00 0.00 H new ATOM 1116 N TRP A 83 13.329 6.845 -5.912 1.00 0.00 N ATOM 1117 CA TRP A 83 14.364 6.296 -5.055 1.00 0.00 C ATOM 1118 C TRP A 83 14.660 4.869 -5.523 1.00 0.00 C ATOM 1119 O TRP A 83 15.527 4.657 -6.369 1.00 0.00 O ATOM 1120 CB TRP A 83 13.951 6.367 -3.582 1.00 0.00 C ATOM 1121 CG TRP A 83 14.924 5.669 -2.629 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.772 4.487 -2.015 1.00 0.00 C ATOM 1123 CD2 TRP A 83 16.211 6.160 -2.204 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.862 4.183 -1.228 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.766 5.231 -1.345 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.887 7.348 -2.530 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 18.019 5.396 -0.746 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 18.138 7.499 -1.923 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.711 6.575 -1.057 1.00 0.00 C ATOM 0 H TRP A 83 12.382 6.541 -5.686 1.00 0.00 H new ATOM 0 HA TRP A 83 15.278 6.884 -5.131 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.861 7.413 -3.291 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.964 5.919 -3.470 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.905 3.853 -2.123 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.983 3.342 -0.663 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.472 8.088 -3.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.432 4.654 -0.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.698 8.396 -2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.683 6.764 -0.626 1.00 0.00 H new ATOM 1140 N GLY A 84 13.921 3.928 -4.953 1.00 0.00 N ATOM 1141 CA GLY A 84 14.091 2.529 -5.304 1.00 0.00 C ATOM 1142 C GLY A 84 13.944 1.633 -4.072 1.00 0.00 C ATOM 1143 O GLY A 84 12.881 1.059 -3.840 1.00 0.00 O ATOM 0 H GLY A 84 13.203 4.108 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.352 2.246 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.073 2.379 -5.752 1.00 0.00 H new ATOM 1147 N THR A 85 15.027 1.542 -3.313 1.00 0.00 N ATOM 1148 CA THR A 85 15.031 0.726 -2.109 1.00 0.00 C ATOM 1149 C THR A 85 14.957 -0.759 -2.472 1.00 0.00 C ATOM 1150 O THR A 85 15.832 -1.537 -2.096 1.00 0.00 O ATOM 1151 CB THR A 85 13.877 1.194 -1.218 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.443 2.249 -0.445 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.478 0.143 -0.179 1.00 0.00 C ATOM 0 H THR A 85 15.907 2.019 -3.508 1.00 0.00 H new ATOM 0 HA THR A 85 15.960 0.846 -1.551 1.00 0.00 H new ATOM 0 HB THR A 85 13.014 1.438 -1.838 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.442 3.076 -0.970 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.656 0.524 0.427 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.163 -0.769 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.331 -0.076 0.463 1.00 0.00 H new ATOM 1161 N VAL A 86 13.903 -1.107 -3.197 1.00 0.00 N ATOM 1162 CA VAL A 86 13.703 -2.483 -3.613 1.00 0.00 C ATOM 1163 C VAL A 86 13.204 -3.304 -2.422 1.00 0.00 C ATOM 1164 O VAL A 86 12.033 -3.227 -2.058 1.00 0.00 O ATOM 1165 CB VAL A 86 14.992 -3.037 -4.225 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.799 -4.481 -4.696 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.483 -2.147 -5.368 1.00 0.00 C ATOM 0 H VAL A 86 13.179 -0.458 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 86 12.940 -2.541 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 86 15.758 -3.038 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.730 -4.851 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.518 -5.106 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.012 -4.516 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.400 -2.563 -5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.720 -2.099 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.679 -1.144 -4.989 1.00 0.00 H new ATOM 1177 N ASP A 87 14.120 -4.073 -1.850 1.00 0.00 N ATOM 1178 CA ASP A 87 13.788 -4.908 -0.708 1.00 0.00 C ATOM 1179 C ASP A 87 13.170 -4.041 0.391 1.00 0.00 C ATOM 1180 O ASP A 87 13.871 -3.274 1.049 1.00 0.00 O ATOM 1181 CB ASP A 87 15.036 -5.579 -0.134 1.00 0.00 C ATOM 1182 CG ASP A 87 14.846 -7.033 0.304 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.733 -7.341 0.778 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.822 -7.802 0.156 1.00 0.00 O ATOM 0 H ASP A 87 15.091 -4.135 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 87 13.089 -5.674 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.827 -5.541 -0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.380 -4.999 0.723 1.00 0.00 H new ATOM 1190 N CYS A 88 11.864 -4.192 0.554 1.00 0.00 N ATOM 1191 CA CYS A 88 11.144 -3.431 1.561 1.00 0.00 C ATOM 1192 C CYS A 88 11.225 -4.190 2.887 1.00 0.00 C ATOM 1193 O CYS A 88 10.215 -4.378 3.561 1.00 0.00 O ATOM 1194 CB CYS A 88 9.695 -3.165 1.143 1.00 0.00 C ATOM 1195 SG CYS A 88 8.735 -2.136 2.312 1.00 0.00 S ATOM 0 H CYS A 88 11.286 -4.829 0.006 1.00 0.00 H new ATOM 0 HA CYS A 88 11.605 -2.450 1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.697 -2.677 0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.186 -4.121 1.020 1.00 0.00 H new ATOM 1200 N THR A 89 12.438 -4.607 3.220 1.00 0.00 N ATOM 1201 CA THR A 89 12.665 -5.343 4.452 1.00 0.00 C ATOM 1202 C THR A 89 13.051 -4.386 5.580 1.00 0.00 C ATOM 1203 O THR A 89 12.921 -4.724 6.756 1.00 0.00 O ATOM 1204 CB THR A 89 13.718 -6.416 4.175 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.849 -7.103 5.416 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.108 -5.823 3.930 1.00 0.00 C ATOM 0 H THR A 89 13.274 -4.449 2.658 1.00 0.00 H new ATOM 0 HA THR A 89 11.756 -5.841 4.789 1.00 0.00 H new ATOM 0 HB THR A 89 13.416 -7.005 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.513 -7.818 5.325 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.818 -6.627 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.073 -5.157 3.068 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.424 -5.262 4.809 1.00 0.00 H new ATOM 1214 N THR A 90 13.523 -3.214 5.184 1.00 0.00 N ATOM 1215 CA THR A 90 13.931 -2.206 6.145 1.00 0.00 C ATOM 1216 C THR A 90 12.742 -1.324 6.532 1.00 0.00 C ATOM 1217 O THR A 90 12.400 -1.219 7.711 1.00 0.00 O ATOM 1218 CB THR A 90 15.099 -1.421 5.545 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.200 -2.322 5.623 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.522 -0.239 6.418 1.00 0.00 C ATOM 0 H THR A 90 13.632 -2.940 4.208 1.00 0.00 H new ATOM 0 HA THR A 90 14.272 -2.664 7.074 1.00 0.00 H new ATOM 0 HB THR A 90 14.821 -1.059 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.000 -1.894 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.354 0.283 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.682 0.446 6.534 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.831 -0.603 7.398 1.00 0.00 H new ATOM 1228 N ALA A 91 12.144 -0.714 5.520 1.00 0.00 N ATOM 1229 CA ALA A 91 11.001 0.156 5.739 1.00 0.00 C ATOM 1230 C ALA A 91 9.716 -0.670 5.648 1.00 0.00 C ATOM 1231 O ALA A 91 9.647 -1.643 4.898 1.00 0.00 O ATOM 1232 CB ALA A 91 11.030 1.302 4.727 1.00 0.00 C ATOM 0 H ALA A 91 12.430 -0.805 4.545 1.00 0.00 H new ATOM 0 HA ALA A 91 11.040 0.600 6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.172 1.954 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.950 1.874 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.988 0.896 3.716 1.00 0.00 H new ATOM 1238 N ALA A 92 8.726 -0.249 6.425 1.00 0.00 N ATOM 1239 CA ALA A 92 7.445 -0.938 6.442 1.00 0.00 C ATOM 1240 C ALA A 92 6.563 -0.393 5.317 1.00 0.00 C ATOM 1241 O ALA A 92 6.319 0.810 5.243 1.00 0.00 O ATOM 1242 CB ALA A 92 6.799 -0.779 7.819 1.00 0.00 C ATOM 0 H ALA A 92 8.785 0.558 7.046 1.00 0.00 H new ATOM 0 HA ALA A 92 7.580 -2.005 6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.839 -1.295 7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.452 -1.208 8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.645 0.279 8.029 1.00 0.00 H new ATOM 1248 N CYS A 93 6.110 -1.303 4.469 1.00 0.00 N ATOM 1249 CA CYS A 93 5.260 -0.929 3.353 1.00 0.00 C ATOM 1250 C CYS A 93 3.802 -0.998 3.812 1.00 0.00 C ATOM 1251 O CYS A 93 3.336 -2.050 4.244 1.00 0.00 O ATOM 1252 CB CYS A 93 5.515 -1.810 2.127 1.00 0.00 C ATOM 1253 SG CYS A 93 6.914 -2.978 2.298 1.00 0.00 S ATOM 0 H CYS A 93 6.316 -2.300 4.532 1.00 0.00 H new ATOM 0 HA CYS A 93 5.493 0.089 3.042 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.610 -2.378 1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.700 -1.167 1.267 1.00 0.00 H new ATOM 1258 N GLN A 94 3.127 0.135 3.703 1.00 0.00 N ATOM 1259 CA GLN A 94 1.732 0.216 4.104 1.00 0.00 C ATOM 1260 C GLN A 94 0.820 0.032 2.888 1.00 0.00 C ATOM 1261 O GLN A 94 0.784 0.880 1.999 1.00 0.00 O ATOM 1262 CB GLN A 94 1.440 1.541 4.810 1.00 0.00 C ATOM 1263 CG GLN A 94 2.120 1.593 6.179 1.00 0.00 C ATOM 1264 CD GLN A 94 2.566 3.017 6.518 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.686 3.877 5.660 1.00 0.00 O ATOM 1266 NE2 GLN A 94 2.803 3.218 7.810 1.00 0.00 N ATOM 0 H GLN A 94 3.519 1.005 3.343 1.00 0.00 H new ATOM 0 HA GLN A 94 1.531 -0.588 4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.789 2.370 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.364 1.664 4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.433 1.232 6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.983 0.927 6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.683 2.454 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.105 4.136 8.136 1.00 0.00 H new ATOM 1275 N VAL A 95 0.106 -1.084 2.890 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.805 -1.393 1.799 1.00 0.00 C ATOM 1277 C VAL A 95 -2.173 -0.774 2.092 1.00 0.00 C ATOM 1278 O VAL A 95 -2.751 -1.009 3.151 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.867 -2.904 1.581 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.380 -3.236 0.178 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.496 -3.552 1.834 1.00 0.00 C ATOM 0 H VAL A 95 0.139 -1.786 3.629 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.445 -0.959 0.866 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.573 -3.317 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.414 -4.318 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.381 -2.824 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.711 -2.803 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.423 -4.627 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.232 -3.131 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.805 -3.360 2.862 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.651 0.008 1.133 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.940 0.662 1.274 1.00 0.00 C ATOM 1293 C GLY A 96 -4.297 1.447 0.012 1.00 0.00 C ATOM 1294 O GLY A 96 -3.460 1.627 -0.869 1.00 0.00 O ATOM 0 H GLY A 96 -2.168 0.202 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.710 -0.083 1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.919 1.335 2.131 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.544 1.895 -0.035 1.00 0.00 N ATOM 1299 CA LEU A 97 -6.024 2.657 -1.175 1.00 0.00 C ATOM 1300 C LEU A 97 -6.172 4.125 -0.777 1.00 0.00 C ATOM 1301 O LEU A 97 -7.016 4.465 0.052 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.308 2.037 -1.733 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.969 0.970 -0.860 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -7.011 -0.195 -0.597 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.506 1.576 0.438 1.00 0.00 C ATOM 0 H LEU A 97 -6.236 1.744 0.699 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.300 2.620 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.029 2.836 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.083 1.596 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.824 0.567 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.506 -0.940 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.722 -0.649 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.122 0.173 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.971 0.795 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.685 2.024 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.246 2.342 0.203 1.00 0.00 H new ATOM 1317 N SER A 98 -5.337 4.958 -1.382 1.00 0.00 N ATOM 1318 CA SER A 98 -5.365 6.384 -1.100 1.00 0.00 C ATOM 1319 C SER A 98 -6.170 7.113 -2.178 1.00 0.00 C ATOM 1320 O SER A 98 -6.428 6.562 -3.245 1.00 0.00 O ATOM 1321 CB SER A 98 -3.949 6.955 -1.015 1.00 0.00 C ATOM 1322 OG SER A 98 -3.935 8.263 -0.447 1.00 0.00 O ATOM 0 H SER A 98 -4.637 4.673 -2.067 1.00 0.00 H new ATOM 0 HA SER A 98 -5.846 6.534 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.326 6.292 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.511 6.988 -2.012 1.00 0.00 H new ATOM 0 HG SER A 98 -3.667 8.208 0.494 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.541 8.346 -1.860 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.311 9.158 -2.787 1.00 0.00 C ATOM 1330 C ASP A 99 -6.597 9.196 -4.140 1.00 0.00 C ATOM 1331 O ASP A 99 -5.415 8.862 -4.231 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.441 10.596 -2.281 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.467 10.746 -0.759 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.812 9.744 -0.095 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -7.142 11.860 -0.294 1.00 0.00 O ATOM 0 H ASP A 99 -6.322 8.801 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.303 8.716 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.609 11.180 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.355 11.028 -2.689 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.342 9.604 -5.155 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.793 9.690 -6.498 1.00 0.00 C ATOM 1343 C ALA A 100 -5.472 10.460 -6.457 1.00 0.00 C ATOM 1344 O ALA A 100 -4.525 10.113 -7.160 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.820 10.341 -7.427 1.00 0.00 C ATOM 0 H ALA A 100 -8.321 9.879 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.581 8.696 -6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.409 10.406 -8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.729 9.739 -7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.055 11.342 -7.065 1.00 0.00 H new ATOM 1351 N ALA A 101 -5.452 11.493 -5.628 1.00 0.00 N ATOM 1352 CA ALA A 101 -4.263 12.317 -5.486 1.00 0.00 C ATOM 1353 C ALA A 101 -3.192 11.530 -4.726 1.00 0.00 C ATOM 1354 O ALA A 101 -1.998 11.766 -4.908 1.00 0.00 O ATOM 1355 CB ALA A 101 -4.630 13.628 -4.790 1.00 0.00 C ATOM 0 H ALA A 101 -6.240 11.779 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.853 12.573 -6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.738 14.246 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.371 14.161 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.042 13.413 -3.804 1.00 0.00 H new ATOM 1361 N GLY A 102 -3.658 10.615 -3.889 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.755 9.795 -3.099 1.00 0.00 C ATOM 1363 C GLY A 102 -2.531 10.402 -1.714 1.00 0.00 C ATOM 1364 O GLY A 102 -1.548 10.085 -1.045 1.00 0.00 O ATOM 0 H GLY A 102 -4.649 10.423 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.166 8.790 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.800 9.698 -3.616 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.461 11.262 -1.324 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.376 11.918 -0.029 1.00 0.00 C ATOM 1370 C ASN A 103 -4.089 11.058 1.019 1.00 0.00 C ATOM 1371 O ASN A 103 -5.107 10.434 0.725 1.00 0.00 O ATOM 1372 CB ASN A 103 -4.058 13.287 -0.059 1.00 0.00 C ATOM 1373 CG ASN A 103 -3.479 14.161 -1.173 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -4.166 14.579 -2.091 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -2.179 14.414 -1.044 1.00 0.00 N ATOM 0 H ASN A 103 -4.276 11.520 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.322 12.046 0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.130 13.160 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.928 13.783 0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.700 14.988 -1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.662 14.034 -0.252 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.527 11.056 2.217 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.095 10.285 3.310 1.00 0.00 C ATOM 1384 C GLY A 104 -3.261 9.034 3.591 1.00 0.00 C ATOM 1385 O GLY A 104 -3.050 8.213 2.699 1.00 0.00 O ATOM 0 H GLY A 104 -2.683 11.576 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.145 10.902 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.117 9.997 3.064 1.00 0.00 H new ATOM 1389 N PRO A 105 -2.796 8.925 4.864 1.00 0.00 N ATOM 1390 CA PRO A 105 -1.990 7.788 5.273 1.00 0.00 C ATOM 1391 C PRO A 105 -2.853 6.537 5.444 1.00 0.00 C ATOM 1392 O PRO A 105 -2.853 5.918 6.507 1.00 0.00 O ATOM 1393 CB PRO A 105 -1.317 8.227 6.563 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.125 9.408 7.075 1.00 0.00 C ATOM 1395 CD PRO A 105 -3.026 9.880 5.945 1.00 0.00 C ATOM 0 HA PRO A 105 -1.246 7.509 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.305 7.417 7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.280 8.511 6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.719 9.117 7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.464 10.212 7.397 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.072 9.888 6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.776 10.895 5.637 1.00 0.00 H new ATOM 1403 N GLU A 106 -3.571 6.203 4.382 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.439 5.036 4.402 1.00 0.00 C ATOM 1405 C GLU A 106 -3.680 3.802 3.914 1.00 0.00 C ATOM 1406 O GLU A 106 -3.520 3.601 2.710 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.697 5.273 3.563 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.887 5.638 4.451 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.015 7.155 4.604 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -6.898 7.841 3.567 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.227 7.593 5.756 1.00 0.00 O ATOM 0 H GLU A 106 -3.570 6.719 3.502 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.756 4.861 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.515 6.073 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.929 4.377 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.803 5.234 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.767 5.179 5.432 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.229 3.006 4.872 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.490 1.796 4.555 1.00 0.00 C ATOM 1421 C GLY A 107 -1.921 1.154 5.821 1.00 0.00 C ATOM 1422 O GLY A 107 -1.534 1.851 6.757 1.00 0.00 O ATOM 0 H GLY A 107 -3.361 3.176 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.145 1.088 4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.679 2.031 3.866 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.887 -0.173 5.809 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.373 -0.917 6.946 1.00 0.00 C ATOM 1428 C VAL A 108 0.014 -1.467 6.603 1.00 0.00 C ATOM 1429 O VAL A 108 0.203 -2.075 5.553 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.365 -2.010 7.347 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.572 -3.011 6.208 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -1.912 -2.719 8.625 1.00 0.00 C ATOM 0 H VAL A 108 -2.207 -0.749 5.031 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.261 -0.264 7.812 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.324 -1.533 7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.282 -3.777 6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.962 -2.491 5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.620 -3.479 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.635 -3.491 8.888 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.936 -3.176 8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.842 -1.995 9.437 1.00 0.00 H new ATOM 1442 N ALA A 109 0.948 -1.232 7.513 1.00 0.00 N ATOM 1443 CA ALA A 109 2.312 -1.695 7.321 1.00 0.00 C ATOM 1444 C ALA A 109 2.336 -3.224 7.354 1.00 0.00 C ATOM 1445 O ALA A 109 2.493 -3.824 8.416 1.00 0.00 O ATOM 1446 CB ALA A 109 3.215 -1.074 8.388 1.00 0.00 C ATOM 0 H ALA A 109 0.787 -0.727 8.385 1.00 0.00 H new ATOM 0 HA ALA A 109 2.692 -1.381 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.239 -1.421 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.185 0.012 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.866 -1.371 9.377 1.00 0.00 H new ATOM 1452 N ILE A 110 2.178 -3.811 6.177 1.00 0.00 N ATOM 1453 CA ILE A 110 2.181 -5.259 6.058 1.00 0.00 C ATOM 1454 C ILE A 110 3.429 -5.703 5.292 1.00 0.00 C ATOM 1455 O ILE A 110 3.870 -5.020 4.369 1.00 0.00 O ATOM 1456 CB ILE A 110 0.871 -5.747 5.435 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.396 -7.041 6.097 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.009 -5.899 3.916 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -1.070 -6.933 6.525 1.00 0.00 C ATOM 0 H ILE A 110 2.047 -3.311 5.298 1.00 0.00 H new ATOM 0 HA ILE A 110 2.232 -5.722 7.044 1.00 0.00 H new ATOM 0 HB ILE A 110 0.106 -4.992 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 110 0.516 -7.873 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.017 -7.258 6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.064 -6.247 3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.268 -4.936 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.793 -6.622 3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.382 -7.867 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.182 -6.115 7.237 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.691 -6.740 5.650 1.00 0.00 H new ATOM 1471 N SER A 111 3.961 -6.845 5.701 1.00 0.00 N ATOM 1472 CA SER A 111 5.150 -7.387 5.066 1.00 0.00 C ATOM 1473 C SER A 111 5.908 -8.281 6.049 1.00 0.00 C ATOM 1474 O SER A 111 6.397 -9.345 5.675 1.00 0.00 O ATOM 1475 CB SER A 111 6.061 -6.266 4.557 1.00 0.00 C ATOM 1476 OG SER A 111 6.068 -5.145 5.434 1.00 0.00 O ATOM 0 H SER A 111 3.590 -7.410 6.465 1.00 0.00 H new ATOM 0 HA SER A 111 4.838 -7.984 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.077 -6.646 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.729 -5.950 3.568 1.00 0.00 H new ATOM 0 HG SER A 111 5.413 -4.484 5.126 1.00 0.00 H new ATOM 1482 N PHE A 112 5.981 -7.816 7.289 1.00 0.00 N ATOM 1483 CA PHE A 112 6.669 -8.562 8.328 1.00 0.00 C ATOM 1484 C PHE A 112 6.541 -7.859 9.681 1.00 0.00 C ATOM 1485 O PHE A 112 6.083 -6.720 9.754 1.00 0.00 O ATOM 1486 CB PHE A 112 8.147 -8.616 7.933 1.00 0.00 C ATOM 1487 CG PHE A 112 8.911 -9.790 8.547 1.00 0.00 C ATOM 1488 CD1 PHE A 112 8.790 -11.035 8.011 1.00 0.00 C ATOM 1489 CD2 PHE A 112 9.712 -9.591 9.628 1.00 0.00 C ATOM 1490 CE1 PHE A 112 9.500 -12.127 8.580 1.00 0.00 C ATOM 1491 CE2 PHE A 112 10.420 -10.683 10.197 1.00 0.00 C ATOM 1492 CZ PHE A 112 10.300 -11.926 9.661 1.00 0.00 C ATOM 0 H PHE A 112 5.575 -6.932 7.596 1.00 0.00 H new ATOM 0 HA PHE A 112 6.236 -9.558 8.423 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.221 -8.676 6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.628 -7.685 8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.154 -11.193 7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.810 -8.603 10.054 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.404 -13.115 8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 112 11.054 -10.525 11.057 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.840 -12.755 10.094 1.00 0.00 H new ATOM 1502 N ASN A 113 6.955 -8.568 10.721 1.00 0.00 N ATOM 1503 CA ASN A 113 6.893 -8.028 12.067 1.00 0.00 C ATOM 1504 C ASN A 113 7.894 -6.878 12.200 1.00 0.00 C ATOM 1505 O ASN A 113 8.216 -6.454 13.307 1.00 0.00 O ATOM 1506 CB ASN A 113 7.256 -9.092 13.105 1.00 0.00 C ATOM 1507 CG ASN A 113 6.117 -9.299 14.101 1.00 0.00 C ATOM 1508 OD1 ASN A 113 5.624 -8.372 14.725 1.00 0.00 O ATOM 1509 ND2 ASN A 113 5.722 -10.564 14.218 1.00 0.00 N ATOM 0 H ASN A 113 7.335 -9.513 10.658 1.00 0.00 H new ATOM 0 HA ASN A 113 5.874 -7.683 12.244 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.480 -10.033 12.603 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.159 -8.792 13.637 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.965 -10.805 14.858 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.176 -11.293 13.667 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.463 7.010 0.894 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.083 6.683 -0.413 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.796 5.600 -0.612 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -1.189 5.220 -1.890 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.678 5.893 -2.983 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.205 6.973 -2.813 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.573 7.422 -1.513 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.087 8.762 -1.343 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.665 9.322 -2.273 1.00 0.00 O HETATM 1526 O4 NCZ A 130 1.006 9.526 -0.091 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.701 10.813 -0.008 1.00 0.00 C HETATM 1528 C13 NCZ A 130 2.569 10.914 1.254 1.00 0.00 C HETATM 1529 C14 NCZ A 130 1.880 11.559 2.206 1.00 0.00 C HETATM 1530 C15 NCZ A 130 0.634 12.189 1.703 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.678 11.944 0.180 1.00 0.00 C HETATM 1532 O6 NCZ A 130 1.100 13.180 -0.463 1.00 0.00 O HETATM 1533 O5 NCZ A 130 3.762 11.643 0.964 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.667 7.604 -3.979 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -1.276 4.926 0.486 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.886 5.293 1.768 1.00 0.00 C HETATM 1537 C2 NCZ A 130 -0.011 6.330 1.982 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.357 6.644 3.282 1.00 0.00 O HETATM 1539 C17 NCZ A 130 0.897 7.910 3.710 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -2.244 3.793 0.367 1.00 0.00 C HETATM 0 H183 NCZ A 130 -3.156 4.143 -0.118 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.799 2.996 -0.229 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -2.484 3.413 1.360 1.00 0.00 H new HETATM 0 H173 NCZ A 130 1.826 8.109 3.175 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.179 8.702 3.498 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.095 7.877 4.781 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.963 5.583 -3.988 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.893 4.400 -2.028 1.00 0.00 H new HETATM 0 H6 NCZ A 130 0.421 13.872 -0.320 1.00 0.00 H new HETATM 0 H5 NCZ A 130 4.312 11.706 1.773 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -1.283 4.746 2.623 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.641 7.516 -4.035 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.280 11.663 -0.257 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -0.135 12.706 2.277 1.00 0.00 H new HETATM 0 H14 NCZ A 130 2.203 11.615 3.246 1.00 0.00 H new HETATM 0 H13 NCZ A 130 2.833 9.913 1.595 1.00 0.00 H new HETATM 0 H12 NCZ A 130 2.292 10.892 -0.921 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.160 7.834 1.050 1.00 0.00 H new