USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 818 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 69 SER OG : rot -66:sc= 1.5 USER MOD Set 1.2: A 76 GLN : amide:sc= 0.244 K(o=1.7,f=1.2) USER MOD Set 2.1: A 32 GLN : amide:sc= 1.48 K(o=2.6,f=-4.8!) USER MOD Set 2.2: A 36 SER OG : rot 168:sc= 1.13 USER MOD Set 3.1: A 19 LYS NZ :NH3+ 180:sc= 2.02 (180deg=2.02) USER MOD Set 3.2: A 109 SER OG : rot 67:sc= 0.519 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 10 THR OG1 : rot 75:sc= 0.904 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 83:sc= 1.27 USER MOD Single : A 18 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.027) USER MOD Single : A 24 MET CE :methyl -124:sc= 0 (180deg=-0.213) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 1.19 (180deg=1.02) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0119 USER MOD Single : A 37 GLN : amide:sc= 0.572 K(o=0.57,f=0) USER MOD Single : A 38 THR OG1 : rot 82:sc= 1.16 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.00284 X(o=-0.0028,f=0) USER MOD Single : A 52 SER OG : rot 44:sc= 0.702 USER MOD Single : A 54 ASN : amide:sc= 0.826 K(o=0.83,f=-2.5) USER MOD Single : A 58 ASN : amide:sc= 0.796 K(o=0.8,f=-4.9!) USER MOD Single : A 63 GLN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 41:sc= 0.277 USER MOD Single : A 78 TYR OH : rot -111:sc= 0.804 USER MOD Single : A 87 CYS SG : rot -140:sc= -0.113 USER MOD Single : A 90 THR OG1 : rot 79:sc= 1.17 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -172:sc= 1.15 (180deg=1.09) USER MOD Single : A 96 SER OG : rot 70:sc= 1.29 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.0645 X(o=-0.064,f=-0.064) USER MOD Single : A 105 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.14) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 CYS SG : rot 78:sc= 0.374 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -3.944 7.450 -7.245 1.00 0.00 N ATOM 78 CA ALA A 6 -3.890 8.695 -8.028 1.00 0.00 C ATOM 79 C ALA A 6 -3.065 9.833 -7.386 1.00 0.00 C ATOM 80 O ALA A 6 -2.807 10.855 -8.034 1.00 0.00 O ATOM 81 CB ALA A 6 -5.335 9.137 -8.300 1.00 0.00 C ATOM 0 HA ALA A 6 -3.356 8.481 -8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.330 10.060 -8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.854 8.359 -8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.848 9.306 -7.353 1.00 0.00 H new ATOM 87 N LEU A 7 -2.621 9.664 -6.132 1.00 0.00 N ATOM 88 CA LEU A 7 -1.654 10.552 -5.476 1.00 0.00 C ATOM 89 C LEU A 7 -0.390 10.670 -6.328 1.00 0.00 C ATOM 90 O LEU A 7 0.017 11.784 -6.624 1.00 0.00 O ATOM 91 CB LEU A 7 -1.378 10.035 -4.046 1.00 0.00 C ATOM 92 CG LEU A 7 -0.376 10.842 -3.180 1.00 0.00 C ATOM 93 CD1 LEU A 7 1.098 10.553 -3.511 1.00 0.00 C ATOM 94 CD2 LEU A 7 -0.646 12.352 -3.205 1.00 0.00 C ATOM 0 H LEU A 7 -2.929 8.895 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.059 11.560 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.328 9.994 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.010 9.012 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.551 10.487 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.740 11.153 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.307 9.496 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.293 10.805 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.087 12.863 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.570 12.718 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.648 12.549 -2.823 1.00 0.00 H new ATOM 106 N LYS A 8 0.201 9.565 -6.790 1.00 0.00 N ATOM 107 CA LYS A 8 1.435 9.598 -7.594 1.00 0.00 C ATOM 108 C LYS A 8 1.263 10.400 -8.901 1.00 0.00 C ATOM 109 O LYS A 8 2.122 11.212 -9.246 1.00 0.00 O ATOM 110 CB LYS A 8 1.886 8.151 -7.860 1.00 0.00 C ATOM 111 CG LYS A 8 3.344 8.088 -8.345 1.00 0.00 C ATOM 112 CD LYS A 8 3.720 6.665 -8.782 1.00 0.00 C ATOM 113 CE LYS A 8 5.196 6.617 -9.209 1.00 0.00 C ATOM 114 NZ LYS A 8 5.587 5.273 -9.719 1.00 0.00 N ATOM 0 H LYS A 8 -0.157 8.625 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 8 2.210 10.121 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.781 7.564 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.234 7.699 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.483 8.776 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.011 8.415 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.547 5.967 -7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.084 6.350 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.374 7.364 -9.983 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.827 6.880 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.589 5.285 -9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.442 4.563 -8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.003 5.032 -10.545 1.00 0.00 H new ATOM 128 N THR A 9 0.117 10.238 -9.580 1.00 0.00 N ATOM 129 CA THR A 9 -0.290 10.978 -10.783 1.00 0.00 C ATOM 130 C THR A 9 -0.437 12.477 -10.509 1.00 0.00 C ATOM 131 O THR A 9 0.015 13.294 -11.308 1.00 0.00 O ATOM 132 CB THR A 9 -1.602 10.393 -11.306 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.599 8.983 -11.193 1.00 0.00 O ATOM 134 CG2 THR A 9 -1.797 10.729 -12.776 1.00 0.00 C ATOM 0 H THR A 9 -0.584 9.555 -9.291 1.00 0.00 H new ATOM 0 HA THR A 9 0.490 10.871 -11.537 1.00 0.00 H new ATOM 0 HB THR A 9 -2.405 10.824 -10.708 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.447 8.626 -11.531 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.737 10.302 -13.125 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.821 11.811 -12.902 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.973 10.315 -13.356 1.00 0.00 H new ATOM 142 N THR A 10 -1.025 12.835 -9.359 1.00 0.00 N ATOM 143 CA THR A 10 -1.212 14.225 -8.900 1.00 0.00 C ATOM 144 C THR A 10 0.130 14.862 -8.543 1.00 0.00 C ATOM 145 O THR A 10 0.429 15.972 -8.980 1.00 0.00 O ATOM 146 CB THR A 10 -2.171 14.264 -7.700 1.00 0.00 C ATOM 147 OG1 THR A 10 -3.389 13.645 -8.053 1.00 0.00 O ATOM 148 CG2 THR A 10 -2.478 15.700 -7.273 1.00 0.00 C ATOM 0 H THR A 10 -1.395 12.149 -8.701 1.00 0.00 H new ATOM 0 HA THR A 10 -1.652 14.802 -9.713 1.00 0.00 H new ATOM 0 HB THR A 10 -1.688 13.742 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.269 12.673 -8.070 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.159 15.689 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.552 16.201 -6.990 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.942 16.235 -8.102 1.00 0.00 H new ATOM 156 N LEU A 11 0.954 14.141 -7.785 1.00 0.00 N ATOM 157 CA LEU A 11 2.307 14.518 -7.381 1.00 0.00 C ATOM 158 C LEU A 11 3.162 14.851 -8.605 1.00 0.00 C ATOM 159 O LEU A 11 3.673 15.967 -8.700 1.00 0.00 O ATOM 160 CB LEU A 11 2.853 13.351 -6.524 1.00 0.00 C ATOM 161 CG LEU A 11 4.176 13.544 -5.768 1.00 0.00 C ATOM 162 CD1 LEU A 11 5.415 13.492 -6.673 1.00 0.00 C ATOM 163 CD2 LEU A 11 4.157 14.832 -4.945 1.00 0.00 C ATOM 0 H LEU A 11 0.681 13.230 -7.417 1.00 0.00 H new ATOM 0 HA LEU A 11 2.323 15.428 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.088 13.094 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.970 12.487 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 11 4.259 12.693 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.312 13.636 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.463 12.523 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.351 14.281 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.106 14.943 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.007 15.685 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.345 14.788 -4.220 1.00 0.00 H new ATOM 175 N ASP A 12 3.233 13.942 -9.578 1.00 0.00 N ATOM 176 CA ASP A 12 3.911 14.157 -10.858 1.00 0.00 C ATOM 177 C ASP A 12 3.366 15.393 -11.596 1.00 0.00 C ATOM 178 O ASP A 12 4.149 16.255 -11.991 1.00 0.00 O ATOM 179 CB ASP A 12 3.780 12.891 -11.716 1.00 0.00 C ATOM 180 CG ASP A 12 4.513 13.039 -13.058 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.767 13.050 -13.056 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.834 13.120 -14.110 1.00 0.00 O ATOM 0 H ASP A 12 2.812 13.016 -9.497 1.00 0.00 H new ATOM 0 HA ASP A 12 4.966 14.354 -10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.185 12.038 -11.171 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.726 12.681 -11.898 1.00 0.00 H new ATOM 187 N LYS A 13 2.036 15.539 -11.703 1.00 0.00 N ATOM 188 CA LYS A 13 1.401 16.717 -12.312 1.00 0.00 C ATOM 189 C LYS A 13 1.774 18.028 -11.595 1.00 0.00 C ATOM 190 O LYS A 13 2.083 19.018 -12.258 1.00 0.00 O ATOM 191 CB LYS A 13 -0.122 16.474 -12.383 1.00 0.00 C ATOM 192 CG LYS A 13 -0.879 17.643 -13.038 1.00 0.00 C ATOM 193 CD LYS A 13 -2.344 17.302 -13.358 1.00 0.00 C ATOM 194 CE LYS A 13 -3.170 16.996 -12.097 1.00 0.00 C ATOM 195 NZ LYS A 13 -4.604 16.759 -12.424 1.00 0.00 N ATOM 0 H LYS A 13 1.370 14.842 -11.369 1.00 0.00 H new ATOM 0 HA LYS A 13 1.781 16.847 -13.325 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.314 15.561 -12.946 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.508 16.315 -11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.849 18.507 -12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.369 17.930 -13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.799 18.136 -13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.375 16.441 -14.026 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.760 16.118 -11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.089 17.828 -11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.130 16.556 -11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.001 17.606 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.683 15.949 -13.072 1.00 0.00 H new ATOM 209 N VAL A 14 1.805 18.049 -10.260 1.00 0.00 N ATOM 210 CA VAL A 14 2.259 19.215 -9.474 1.00 0.00 C ATOM 211 C VAL A 14 3.762 19.470 -9.685 1.00 0.00 C ATOM 212 O VAL A 14 4.155 20.610 -9.928 1.00 0.00 O ATOM 213 CB VAL A 14 1.875 19.102 -7.984 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.491 20.204 -7.106 1.00 0.00 C ATOM 215 CG2 VAL A 14 0.349 19.161 -7.801 1.00 0.00 C ATOM 0 H VAL A 14 1.516 17.258 -9.685 1.00 0.00 H new ATOM 0 HA VAL A 14 1.730 20.092 -9.847 1.00 0.00 H new ATOM 0 HB VAL A 14 2.273 18.139 -7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.179 20.062 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.578 20.153 -7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.154 21.179 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.106 19.079 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.027 20.108 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.115 18.338 -8.344 1.00 0.00 H new ATOM 225 N VAL A 15 4.589 18.417 -9.677 1.00 0.00 N ATOM 226 CA VAL A 15 6.040 18.495 -9.933 1.00 0.00 C ATOM 227 C VAL A 15 6.366 19.093 -11.310 1.00 0.00 C ATOM 228 O VAL A 15 7.276 19.915 -11.392 1.00 0.00 O ATOM 229 CB VAL A 15 6.709 17.119 -9.731 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.055 16.935 -10.446 1.00 0.00 C ATOM 231 CG2 VAL A 15 6.918 16.853 -8.229 1.00 0.00 C ATOM 0 H VAL A 15 4.266 17.468 -9.489 1.00 0.00 H new ATOM 0 HA VAL A 15 6.459 19.183 -9.199 1.00 0.00 H new ATOM 0 HB VAL A 15 6.019 16.406 -10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.442 15.937 -10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.916 17.057 -11.520 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.764 17.680 -10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.391 15.880 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.558 17.629 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.954 16.862 -7.720 1.00 0.00 H new ATOM 241 N THR A 16 5.634 18.738 -12.376 1.00 0.00 N ATOM 242 CA THR A 16 5.855 19.285 -13.727 1.00 0.00 C ATOM 243 C THR A 16 5.258 20.676 -13.900 1.00 0.00 C ATOM 244 O THR A 16 5.878 21.525 -14.535 1.00 0.00 O ATOM 245 CB THR A 16 5.319 18.340 -14.809 1.00 0.00 C ATOM 246 OG1 THR A 16 3.956 18.063 -14.570 1.00 0.00 O ATOM 247 CG2 THR A 16 6.099 17.024 -14.844 1.00 0.00 C ATOM 0 H THR A 16 4.871 18.063 -12.328 1.00 0.00 H new ATOM 0 HA THR A 16 6.935 19.375 -13.845 1.00 0.00 H new ATOM 0 HB THR A 16 5.439 18.837 -15.772 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.618 17.460 -15.265 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.691 16.380 -15.623 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.149 17.229 -15.055 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.014 16.525 -13.879 1.00 0.00 H new ATOM 255 N SER A 17 4.082 20.935 -13.321 1.00 0.00 N ATOM 256 CA SER A 17 3.367 22.215 -13.511 1.00 0.00 C ATOM 257 C SER A 17 4.006 23.390 -12.745 1.00 0.00 C ATOM 258 O SER A 17 3.983 24.521 -13.231 1.00 0.00 O ATOM 259 CB SER A 17 1.893 22.084 -13.092 1.00 0.00 C ATOM 260 OG SER A 17 1.223 21.049 -13.799 1.00 0.00 O ATOM 0 H SER A 17 3.597 20.276 -12.712 1.00 0.00 H new ATOM 0 HA SER A 17 3.438 22.439 -14.575 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.838 21.885 -12.022 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.382 23.031 -13.267 1.00 0.00 H new ATOM 0 HG SER A 17 1.405 20.188 -13.368 1.00 0.00 H new ATOM 266 N HIS A 18 4.580 23.139 -11.560 1.00 0.00 N ATOM 267 CA HIS A 18 5.162 24.183 -10.694 1.00 0.00 C ATOM 268 C HIS A 18 6.696 24.085 -10.540 1.00 0.00 C ATOM 269 O HIS A 18 7.310 24.957 -9.921 1.00 0.00 O ATOM 270 CB HIS A 18 4.469 24.106 -9.322 1.00 0.00 C ATOM 271 CG HIS A 18 2.975 24.329 -9.390 1.00 0.00 C ATOM 272 ND1 HIS A 18 2.321 25.539 -9.303 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.012 23.369 -9.542 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.000 25.306 -9.398 1.00 0.00 C ATOM 275 NE2 HIS A 18 0.758 23.991 -9.555 1.00 0.00 N ATOM 0 H HIS A 18 4.656 22.200 -11.169 1.00 0.00 H new ATOM 0 HA HIS A 18 4.988 25.148 -11.170 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.663 23.129 -8.880 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.910 24.850 -8.658 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.190 22.308 -9.636 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.237 26.069 -9.354 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.151 23.541 -9.661 1.00 0.00 H new ATOM 283 N LYS A 19 7.328 23.018 -11.054 1.00 0.00 N ATOM 284 CA LYS A 19 8.770 22.699 -10.981 1.00 0.00 C ATOM 285 C LYS A 19 9.311 22.515 -9.551 1.00 0.00 C ATOM 286 O LYS A 19 9.764 21.422 -9.222 1.00 0.00 O ATOM 287 CB LYS A 19 9.600 23.691 -11.828 1.00 0.00 C ATOM 288 CG LYS A 19 9.419 23.387 -13.322 1.00 0.00 C ATOM 289 CD LYS A 19 10.216 24.359 -14.200 1.00 0.00 C ATOM 290 CE LYS A 19 10.245 23.901 -15.670 1.00 0.00 C ATOM 291 NZ LYS A 19 11.182 22.767 -15.894 1.00 0.00 N ATOM 0 H LYS A 19 6.813 22.303 -11.568 1.00 0.00 H new ATOM 0 HA LYS A 19 8.887 21.710 -11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.287 24.713 -11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.654 23.618 -11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.739 22.365 -13.527 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.362 23.447 -13.580 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.774 25.353 -14.137 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.236 24.439 -13.823 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.241 23.605 -15.975 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.536 24.739 -16.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.165 22.496 -16.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.146 23.055 -15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.891 21.956 -15.312 1.00 0.00 H new ATOM 305 N VAL A 20 9.286 23.544 -8.706 1.00 0.00 N ATOM 306 CA VAL A 20 9.793 23.514 -7.319 1.00 0.00 C ATOM 307 C VAL A 20 8.651 23.126 -6.375 1.00 0.00 C ATOM 308 O VAL A 20 7.642 23.827 -6.305 1.00 0.00 O ATOM 309 CB VAL A 20 10.389 24.883 -6.908 1.00 0.00 C ATOM 310 CG1 VAL A 20 10.863 24.890 -5.442 1.00 0.00 C ATOM 311 CG2 VAL A 20 11.576 25.273 -7.804 1.00 0.00 C ATOM 0 H VAL A 20 8.903 24.452 -8.967 1.00 0.00 H new ATOM 0 HA VAL A 20 10.592 22.775 -7.254 1.00 0.00 H new ATOM 0 HB VAL A 20 9.584 25.608 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.274 25.870 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.019 24.676 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.632 24.130 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.969 26.239 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.358 24.518 -7.721 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.244 25.339 -8.840 1.00 0.00 H new ATOM 321 N VAL A 21 8.817 22.029 -5.627 1.00 0.00 N ATOM 322 CA VAL A 21 7.831 21.566 -4.636 1.00 0.00 C ATOM 323 C VAL A 21 8.501 21.297 -3.285 1.00 0.00 C ATOM 324 O VAL A 21 9.668 20.908 -3.219 1.00 0.00 O ATOM 325 CB VAL A 21 7.011 20.345 -5.125 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.410 20.571 -6.526 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.788 19.024 -5.146 1.00 0.00 C ATOM 0 H VAL A 21 9.642 21.433 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 21 7.112 22.374 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 21 6.219 20.256 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.844 19.689 -6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.747 21.436 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.213 20.748 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.137 18.225 -5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.645 19.117 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.135 18.790 -4.139 1.00 0.00 H new ATOM 337 N LEU A 22 7.750 21.528 -2.210 1.00 0.00 N ATOM 338 CA LEU A 22 8.177 21.372 -0.823 1.00 0.00 C ATOM 339 C LEU A 22 7.261 20.363 -0.125 1.00 0.00 C ATOM 340 O LEU A 22 6.044 20.557 -0.098 1.00 0.00 O ATOM 341 CB LEU A 22 8.097 22.751 -0.119 1.00 0.00 C ATOM 342 CG LEU A 22 9.437 23.334 0.363 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.079 22.443 1.440 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.388 23.573 -0.818 1.00 0.00 C ATOM 0 H LEU A 22 6.783 21.843 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 22 9.202 21.005 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.638 23.463 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.431 22.662 0.739 1.00 0.00 H new ATOM 0 HG LEU A 22 9.237 24.301 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.024 22.882 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.408 22.365 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.261 21.450 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.328 23.985 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.580 22.629 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.932 24.275 -1.516 1.00 0.00 H new ATOM 356 N PHE A 23 7.846 19.327 0.475 1.00 0.00 N ATOM 357 CA PHE A 23 7.147 18.397 1.358 1.00 0.00 C ATOM 358 C PHE A 23 7.346 18.871 2.795 1.00 0.00 C ATOM 359 O PHE A 23 8.474 18.937 3.283 1.00 0.00 O ATOM 360 CB PHE A 23 7.645 16.970 1.091 1.00 0.00 C ATOM 361 CG PHE A 23 7.469 16.573 -0.363 1.00 0.00 C ATOM 362 CD1 PHE A 23 6.189 16.643 -0.944 1.00 0.00 C ATOM 363 CD2 PHE A 23 8.578 16.237 -1.158 1.00 0.00 C ATOM 364 CE1 PHE A 23 6.025 16.424 -2.322 1.00 0.00 C ATOM 365 CE2 PHE A 23 8.405 15.975 -2.527 1.00 0.00 C ATOM 366 CZ PHE A 23 7.136 16.090 -3.118 1.00 0.00 C ATOM 0 H PHE A 23 8.835 19.108 0.359 1.00 0.00 H new ATOM 0 HA PHE A 23 6.073 18.377 1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.698 16.896 1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.102 16.271 1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.330 16.866 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.562 16.180 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.046 16.512 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.253 15.683 -3.129 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.014 15.923 -4.178 1.00 0.00 H new ATOM 376 N MET A 24 6.243 19.234 3.453 1.00 0.00 N ATOM 377 CA MET A 24 6.238 19.930 4.748 1.00 0.00 C ATOM 378 C MET A 24 4.925 19.708 5.507 1.00 0.00 C ATOM 379 O MET A 24 3.978 19.150 4.962 1.00 0.00 O ATOM 380 CB MET A 24 6.545 21.427 4.499 1.00 0.00 C ATOM 381 CG MET A 24 5.612 22.110 3.480 1.00 0.00 C ATOM 382 SD MET A 24 6.117 23.793 3.030 1.00 0.00 S ATOM 383 CE MET A 24 5.525 24.724 4.466 1.00 0.00 C ATOM 0 H MET A 24 5.306 19.050 3.095 1.00 0.00 H new ATOM 0 HA MET A 24 7.013 19.518 5.394 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.480 21.961 5.447 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.574 21.521 4.151 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.569 21.501 2.577 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.603 22.142 3.891 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.856 25.518 4.134 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.988 24.054 5.138 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.374 25.161 4.992 1.00 0.00 H new ATOM 393 N LYS A 25 4.866 20.129 6.774 1.00 0.00 N ATOM 394 CA LYS A 25 3.674 19.975 7.632 1.00 0.00 C ATOM 395 C LYS A 25 2.748 21.216 7.636 1.00 0.00 C ATOM 396 O LYS A 25 1.620 21.148 8.130 1.00 0.00 O ATOM 397 CB LYS A 25 4.125 19.631 9.067 1.00 0.00 C ATOM 398 CG LYS A 25 5.157 18.492 9.147 1.00 0.00 C ATOM 399 CD LYS A 25 5.331 18.019 10.596 1.00 0.00 C ATOM 400 CE LYS A 25 6.345 16.864 10.675 1.00 0.00 C ATOM 401 NZ LYS A 25 6.533 16.393 12.077 1.00 0.00 N ATOM 0 H LYS A 25 5.646 20.590 7.242 1.00 0.00 H new ATOM 0 HA LYS A 25 3.078 19.164 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.549 20.524 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.250 19.355 9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.835 17.658 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.114 18.834 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.669 18.849 11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.370 17.694 10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.002 16.035 10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.302 17.191 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.223 15.615 12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.884 17.178 12.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.624 16.058 12.455 1.00 0.00 H new ATOM 415 N GLY A 26 3.238 22.355 7.122 1.00 0.00 N ATOM 416 CA GLY A 26 2.513 23.635 7.017 1.00 0.00 C ATOM 417 C GLY A 26 2.019 23.926 5.596 1.00 0.00 C ATOM 418 O GLY A 26 1.992 23.032 4.745 1.00 0.00 O ATOM 0 H GLY A 26 4.187 22.414 6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.661 23.621 7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.167 24.445 7.342 1.00 0.00 H new ATOM 422 N THR A 27 1.656 25.188 5.342 1.00 0.00 N ATOM 423 CA THR A 27 1.170 25.702 4.046 1.00 0.00 C ATOM 424 C THR A 27 1.948 26.942 3.610 1.00 0.00 C ATOM 425 O THR A 27 2.769 27.472 4.352 1.00 0.00 O ATOM 426 CB THR A 27 -0.336 26.009 4.116 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.552 27.033 5.061 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.168 24.788 4.512 1.00 0.00 C ATOM 0 H THR A 27 1.692 25.912 6.059 1.00 0.00 H new ATOM 0 HA THR A 27 1.334 24.925 3.299 1.00 0.00 H new ATOM 0 HB THR A 27 -0.654 26.315 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.509 27.236 5.110 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.223 25.062 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.022 23.995 3.778 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.853 24.436 5.494 1.00 0.00 H new ATOM 436 N LYS A 28 1.663 27.437 2.405 1.00 0.00 N ATOM 437 CA LYS A 28 2.212 28.686 1.862 1.00 0.00 C ATOM 438 C LYS A 28 1.752 29.918 2.670 1.00 0.00 C ATOM 439 O LYS A 28 2.493 30.895 2.793 1.00 0.00 O ATOM 440 CB LYS A 28 1.783 28.748 0.383 1.00 0.00 C ATOM 441 CG LYS A 28 2.412 29.908 -0.408 1.00 0.00 C ATOM 442 CD LYS A 28 1.996 29.918 -1.892 1.00 0.00 C ATOM 443 CE LYS A 28 2.425 28.646 -2.648 1.00 0.00 C ATOM 444 NZ LYS A 28 2.072 28.715 -4.093 1.00 0.00 N ATOM 0 H LYS A 28 1.026 26.969 1.760 1.00 0.00 H new ATOM 0 HA LYS A 28 3.299 28.700 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.048 27.808 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.698 28.836 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.123 30.853 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.498 29.840 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.913 30.026 -1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.434 30.789 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.501 28.507 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.945 27.777 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.122 27.763 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.107 29.088 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.740 29.342 -4.584 1.00 0.00 H new ATOM 458 N ASP A 29 0.546 29.857 3.248 1.00 0.00 N ATOM 459 CA ASP A 29 -0.034 30.906 4.096 1.00 0.00 C ATOM 460 C ASP A 29 0.442 30.825 5.563 1.00 0.00 C ATOM 461 O ASP A 29 0.574 31.862 6.218 1.00 0.00 O ATOM 462 CB ASP A 29 -1.564 30.806 4.000 1.00 0.00 C ATOM 463 CG ASP A 29 -2.288 32.027 4.591 1.00 0.00 C ATOM 464 OD1 ASP A 29 -1.915 33.178 4.255 1.00 0.00 O ATOM 465 OD2 ASP A 29 -3.277 31.833 5.338 1.00 0.00 O ATOM 0 H ASP A 29 -0.071 29.053 3.135 1.00 0.00 H new ATOM 0 HA ASP A 29 0.307 31.876 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.850 30.693 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.896 29.908 4.520 1.00 0.00 H new ATOM 470 N PHE A 30 0.757 29.616 6.053 1.00 0.00 N ATOM 471 CA PHE A 30 1.347 29.361 7.371 1.00 0.00 C ATOM 472 C PHE A 30 2.457 28.287 7.292 1.00 0.00 C ATOM 473 O PHE A 30 2.189 27.105 7.550 1.00 0.00 O ATOM 474 CB PHE A 30 0.239 28.956 8.366 1.00 0.00 C ATOM 475 CG PHE A 30 -0.704 30.076 8.763 1.00 0.00 C ATOM 476 CD1 PHE A 30 -0.281 31.051 9.685 1.00 0.00 C ATOM 477 CD2 PHE A 30 -2.007 30.137 8.227 1.00 0.00 C ATOM 478 CE1 PHE A 30 -1.156 32.082 10.073 1.00 0.00 C ATOM 479 CE2 PHE A 30 -2.882 31.168 8.618 1.00 0.00 C ATOM 480 CZ PHE A 30 -2.457 32.141 9.541 1.00 0.00 C ATOM 0 H PHE A 30 0.601 28.760 5.521 1.00 0.00 H new ATOM 0 HA PHE A 30 1.818 30.277 7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.345 28.147 7.927 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.707 28.559 9.267 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.717 31.008 10.096 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.334 29.392 7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.828 32.829 10.780 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.881 31.212 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.128 32.932 9.841 1.00 0.00 H new ATOM 490 N PRO A 31 3.703 28.674 6.947 1.00 0.00 N ATOM 491 CA PRO A 31 4.870 27.795 7.003 1.00 0.00 C ATOM 492 C PRO A 31 5.198 27.348 8.436 1.00 0.00 C ATOM 493 O PRO A 31 4.738 27.949 9.408 1.00 0.00 O ATOM 494 CB PRO A 31 6.030 28.597 6.394 1.00 0.00 C ATOM 495 CG PRO A 31 5.338 29.657 5.542 1.00 0.00 C ATOM 496 CD PRO A 31 4.074 29.949 6.347 1.00 0.00 C ATOM 0 HA PRO A 31 4.681 26.874 6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.652 29.049 7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.681 27.963 5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.956 30.546 5.419 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.107 29.288 4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.259 30.705 7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.278 30.330 5.707 1.00 0.00 H new ATOM 504 N GLN A 32 6.044 26.319 8.565 1.00 0.00 N ATOM 505 CA GLN A 32 6.600 25.910 9.860 1.00 0.00 C ATOM 506 C GLN A 32 7.767 26.841 10.215 1.00 0.00 C ATOM 507 O GLN A 32 8.726 26.951 9.445 1.00 0.00 O ATOM 508 CB GLN A 32 7.124 24.464 9.816 1.00 0.00 C ATOM 509 CG GLN A 32 6.103 23.397 9.383 1.00 0.00 C ATOM 510 CD GLN A 32 6.820 22.098 9.046 1.00 0.00 C ATOM 511 OE1 GLN A 32 7.038 21.794 7.881 1.00 0.00 O ATOM 512 NE2 GLN A 32 7.248 21.313 10.008 1.00 0.00 N ATOM 0 H GLN A 32 6.361 25.750 7.780 1.00 0.00 H new ATOM 0 HA GLN A 32 5.807 25.970 10.606 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.973 24.425 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.498 24.202 10.806 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.381 23.227 10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.543 23.748 8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.071 21.558 10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.757 20.459 9.781 1.00 0.00 H new ATOM 521 N CYS A 33 7.714 27.475 11.391 1.00 0.00 N ATOM 522 CA CYS A 33 8.799 28.307 11.917 1.00 0.00 C ATOM 523 C CYS A 33 10.111 27.503 12.044 1.00 0.00 C ATOM 524 O CYS A 33 10.106 26.343 12.475 1.00 0.00 O ATOM 525 CB CYS A 33 8.366 28.904 13.268 1.00 0.00 C ATOM 526 SG CYS A 33 6.864 29.912 13.069 1.00 0.00 S ATOM 0 H CYS A 33 6.906 27.424 12.011 1.00 0.00 H new ATOM 0 HA CYS A 33 8.999 29.120 11.219 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.181 28.103 13.983 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.170 29.516 13.676 1.00 0.00 H new ATOM 0 HG CYS A 33 6.516 30.404 14.221 1.00 0.00 H new ATOM 532 N GLY A 34 11.236 28.125 11.672 1.00 0.00 N ATOM 533 CA GLY A 34 12.535 27.459 11.547 1.00 0.00 C ATOM 534 C GLY A 34 12.752 26.952 10.124 1.00 0.00 C ATOM 535 O GLY A 34 12.792 27.758 9.189 1.00 0.00 O ATOM 0 H GLY A 34 11.269 29.119 11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.331 28.153 11.816 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.590 26.625 12.247 1.00 0.00 H new ATOM 539 N PHE A 35 12.925 25.638 9.965 1.00 0.00 N ATOM 540 CA PHE A 35 13.359 24.980 8.725 1.00 0.00 C ATOM 541 C PHE A 35 12.527 25.357 7.488 1.00 0.00 C ATOM 542 O PHE A 35 13.044 25.989 6.566 1.00 0.00 O ATOM 543 CB PHE A 35 13.384 23.455 8.956 1.00 0.00 C ATOM 544 CG PHE A 35 14.221 23.004 10.144 1.00 0.00 C ATOM 545 CD1 PHE A 35 15.610 23.238 10.166 1.00 0.00 C ATOM 546 CD2 PHE A 35 13.610 22.358 11.237 1.00 0.00 C ATOM 547 CE1 PHE A 35 16.381 22.829 11.267 1.00 0.00 C ATOM 548 CE2 PHE A 35 14.381 21.950 12.341 1.00 0.00 C ATOM 549 CZ PHE A 35 15.768 22.184 12.356 1.00 0.00 C ATOM 0 H PHE A 35 12.761 24.976 10.723 1.00 0.00 H new ATOM 0 HA PHE A 35 14.361 25.341 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 35 12.361 23.106 9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.765 22.971 8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 35 16.085 23.734 9.332 1.00 0.00 H new ATOM 0 HD2 PHE A 35 12.546 22.175 11.227 1.00 0.00 H new ATOM 0 HE1 PHE A 35 17.446 23.010 11.277 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.908 21.457 13.177 1.00 0.00 H new ATOM 0 HZ PHE A 35 16.361 21.869 13.202 1.00 0.00 H new ATOM 559 N SER A 36 11.242 25.000 7.446 1.00 0.00 N ATOM 560 CA SER A 36 10.411 25.179 6.244 1.00 0.00 C ATOM 561 C SER A 36 10.238 26.665 5.898 1.00 0.00 C ATOM 562 O SER A 36 10.436 27.037 4.743 1.00 0.00 O ATOM 563 CB SER A 36 9.057 24.469 6.406 1.00 0.00 C ATOM 564 OG SER A 36 9.253 23.156 6.912 1.00 0.00 O ATOM 0 H SER A 36 10.747 24.582 8.234 1.00 0.00 H new ATOM 0 HA SER A 36 10.928 24.715 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.418 25.037 7.083 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.544 24.424 5.446 1.00 0.00 H new ATOM 0 HG SER A 36 8.392 22.781 7.192 1.00 0.00 H new ATOM 570 N GLN A 37 9.993 27.532 6.895 1.00 0.00 N ATOM 571 CA GLN A 37 9.926 28.991 6.713 1.00 0.00 C ATOM 572 C GLN A 37 11.226 29.536 6.100 1.00 0.00 C ATOM 573 O GLN A 37 11.159 30.305 5.140 1.00 0.00 O ATOM 574 CB GLN A 37 9.606 29.671 8.062 1.00 0.00 C ATOM 575 CG GLN A 37 9.591 31.214 8.032 1.00 0.00 C ATOM 576 CD GLN A 37 8.536 31.803 7.092 1.00 0.00 C ATOM 577 OE1 GLN A 37 7.430 32.140 7.491 1.00 0.00 O ATOM 578 NE2 GLN A 37 8.820 31.931 5.809 1.00 0.00 N ATOM 0 H GLN A 37 9.835 27.237 7.858 1.00 0.00 H new ATOM 0 HA GLN A 37 9.124 29.221 6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.633 29.321 8.406 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.340 29.345 8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.414 31.586 9.041 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.575 31.572 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.738 31.655 5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.122 32.306 5.167 1.00 0.00 H new ATOM 587 N THR A 38 12.391 29.107 6.606 1.00 0.00 N ATOM 588 CA THR A 38 13.711 29.479 6.071 1.00 0.00 C ATOM 589 C THR A 38 13.855 29.002 4.631 1.00 0.00 C ATOM 590 O THR A 38 14.199 29.795 3.761 1.00 0.00 O ATOM 591 CB THR A 38 14.843 28.941 6.965 1.00 0.00 C ATOM 592 OG1 THR A 38 14.707 29.497 8.251 1.00 0.00 O ATOM 593 CG2 THR A 38 16.230 29.327 6.451 1.00 0.00 C ATOM 0 H THR A 38 12.445 28.482 7.411 1.00 0.00 H new ATOM 0 HA THR A 38 13.790 30.566 6.072 1.00 0.00 H new ATOM 0 HB THR A 38 14.761 27.854 6.969 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.037 28.991 8.757 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.991 28.922 7.118 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.373 28.921 5.449 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.317 30.413 6.418 1.00 0.00 H new ATOM 601 N VAL A 39 13.523 27.738 4.359 1.00 0.00 N ATOM 602 CA VAL A 39 13.587 27.162 3.001 1.00 0.00 C ATOM 603 C VAL A 39 12.701 27.935 2.015 1.00 0.00 C ATOM 604 O VAL A 39 13.195 28.332 0.961 1.00 0.00 O ATOM 605 CB VAL A 39 13.228 25.658 3.001 1.00 0.00 C ATOM 606 CG1 VAL A 39 12.961 25.114 1.592 1.00 0.00 C ATOM 607 CG2 VAL A 39 14.367 24.845 3.632 1.00 0.00 C ATOM 0 H VAL A 39 13.202 27.080 5.069 1.00 0.00 H new ATOM 0 HA VAL A 39 14.620 27.257 2.665 1.00 0.00 H new ATOM 0 HB VAL A 39 12.312 25.557 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.714 24.054 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.128 25.656 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.851 25.245 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.105 23.787 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 39 15.282 24.995 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.524 25.175 4.659 1.00 0.00 H new ATOM 617 N VAL A 40 11.425 28.187 2.340 1.00 0.00 N ATOM 618 CA VAL A 40 10.524 28.878 1.406 1.00 0.00 C ATOM 619 C VAL A 40 10.885 30.361 1.236 1.00 0.00 C ATOM 620 O VAL A 40 10.727 30.894 0.140 1.00 0.00 O ATOM 621 CB VAL A 40 9.031 28.693 1.747 1.00 0.00 C ATOM 622 CG1 VAL A 40 8.630 27.207 1.729 1.00 0.00 C ATOM 623 CG2 VAL A 40 8.574 29.366 3.049 1.00 0.00 C ATOM 0 H VAL A 40 10.998 27.927 3.229 1.00 0.00 H new ATOM 0 HA VAL A 40 10.679 28.392 0.443 1.00 0.00 H new ATOM 0 HB VAL A 40 8.502 29.219 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.572 27.113 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.812 26.793 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.222 26.661 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.511 29.179 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.138 28.957 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.748 30.440 2.984 1.00 0.00 H new ATOM 633 N GLN A 41 11.419 31.018 2.278 1.00 0.00 N ATOM 634 CA GLN A 41 11.950 32.383 2.177 1.00 0.00 C ATOM 635 C GLN A 41 13.176 32.423 1.250 1.00 0.00 C ATOM 636 O GLN A 41 13.234 33.274 0.364 1.00 0.00 O ATOM 637 CB GLN A 41 12.276 32.900 3.591 1.00 0.00 C ATOM 638 CG GLN A 41 12.771 34.356 3.604 1.00 0.00 C ATOM 639 CD GLN A 41 13.009 34.863 5.029 1.00 0.00 C ATOM 640 OE1 GLN A 41 12.199 35.579 5.605 1.00 0.00 O ATOM 641 NE2 GLN A 41 14.112 34.506 5.661 1.00 0.00 N ATOM 0 H GLN A 41 11.494 30.617 3.213 1.00 0.00 H new ATOM 0 HA GLN A 41 11.202 33.040 1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.385 32.820 4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.037 32.260 4.038 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.696 34.430 3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.038 34.993 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.796 33.910 5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.280 34.826 6.615 1.00 0.00 H new ATOM 650 N ILE A 42 14.117 31.481 1.401 1.00 0.00 N ATOM 651 CA ILE A 42 15.324 31.381 0.556 1.00 0.00 C ATOM 652 C ILE A 42 14.955 31.181 -0.917 1.00 0.00 C ATOM 653 O ILE A 42 15.438 31.936 -1.755 1.00 0.00 O ATOM 654 CB ILE A 42 16.278 30.280 1.097 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.016 30.816 2.346 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.289 29.817 0.030 1.00 0.00 C ATOM 657 CD1 ILE A 42 17.868 29.771 3.080 1.00 0.00 C ATOM 0 H ILE A 42 14.065 30.758 2.119 1.00 0.00 H new ATOM 0 HA ILE A 42 15.868 32.324 0.607 1.00 0.00 H new ATOM 0 HB ILE A 42 15.679 29.410 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.658 31.644 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.280 31.220 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.936 29.047 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.753 29.411 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 42 17.895 30.665 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.349 30.234 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.231 28.953 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 42 18.630 29.383 2.404 1.00 0.00 H new ATOM 669 N LEU A 43 14.086 30.215 -1.239 1.00 0.00 N ATOM 670 CA LEU A 43 13.655 29.941 -2.617 1.00 0.00 C ATOM 671 C LEU A 43 12.961 31.162 -3.235 1.00 0.00 C ATOM 672 O LEU A 43 13.334 31.621 -4.321 1.00 0.00 O ATOM 673 CB LEU A 43 12.722 28.714 -2.620 1.00 0.00 C ATOM 674 CG LEU A 43 13.422 27.374 -2.315 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.361 26.309 -2.013 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.302 26.910 -3.486 1.00 0.00 C ATOM 0 H LEU A 43 13.659 29.598 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 43 14.532 29.727 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.933 28.872 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.240 28.643 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 43 14.071 27.519 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.850 25.359 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.771 26.618 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.707 26.192 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 14.777 25.963 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.685 26.779 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.069 27.659 -3.684 1.00 0.00 H new ATOM 688 N LYS A 44 11.984 31.731 -2.519 1.00 0.00 N ATOM 689 CA LYS A 44 11.257 32.907 -2.994 1.00 0.00 C ATOM 690 C LYS A 44 12.218 34.066 -3.290 1.00 0.00 C ATOM 691 O LYS A 44 12.233 34.552 -4.421 1.00 0.00 O ATOM 692 CB LYS A 44 10.124 33.254 -2.014 1.00 0.00 C ATOM 693 CG LYS A 44 9.176 34.306 -2.615 1.00 0.00 C ATOM 694 CD LYS A 44 7.802 34.321 -1.929 1.00 0.00 C ATOM 695 CE LYS A 44 7.837 34.692 -0.435 1.00 0.00 C ATOM 696 NZ LYS A 44 8.127 36.138 -0.213 1.00 0.00 N ATOM 0 H LYS A 44 11.680 31.392 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 44 10.777 32.688 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.563 32.353 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.547 33.631 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.632 35.292 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.045 34.107 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.157 35.028 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.346 33.336 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.879 34.443 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.595 34.091 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.140 36.337 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.053 36.373 -0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.390 36.714 -0.669 1.00 0.00 H new ATOM 710 N SER A 45 13.066 34.423 -2.315 1.00 0.00 N ATOM 711 CA SER A 45 14.037 35.531 -2.371 1.00 0.00 C ATOM 712 C SER A 45 15.169 35.323 -3.399 1.00 0.00 C ATOM 713 O SER A 45 15.597 36.286 -4.043 1.00 0.00 O ATOM 714 CB SER A 45 14.633 35.732 -0.970 1.00 0.00 C ATOM 715 OG SER A 45 15.403 36.924 -0.895 1.00 0.00 O ATOM 0 H SER A 45 13.097 33.926 -1.425 1.00 0.00 H new ATOM 0 HA SER A 45 13.495 36.416 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.830 35.770 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.259 34.877 -0.714 1.00 0.00 H new ATOM 0 HG SER A 45 15.766 37.022 0.010 1.00 0.00 H new ATOM 721 N LEU A 46 15.608 34.074 -3.623 1.00 0.00 N ATOM 722 CA LEU A 46 16.521 33.697 -4.709 1.00 0.00 C ATOM 723 C LEU A 46 15.935 34.086 -6.078 1.00 0.00 C ATOM 724 O LEU A 46 16.696 34.463 -6.970 1.00 0.00 O ATOM 725 CB LEU A 46 16.795 32.184 -4.598 1.00 0.00 C ATOM 726 CG LEU A 46 17.614 31.560 -5.742 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.030 32.149 -5.837 1.00 0.00 C ATOM 728 CD2 LEU A 46 17.702 30.045 -5.519 1.00 0.00 C ATOM 0 H LEU A 46 15.331 33.283 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 46 17.464 34.236 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.318 31.998 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.838 31.665 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 46 17.107 31.786 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.567 31.676 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.966 33.222 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.563 31.967 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.280 29.592 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.190 29.845 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.698 29.620 -5.509 1.00 0.00 H new ATOM 740 N ASN A 47 14.600 34.001 -6.200 1.00 0.00 N ATOM 741 CA ASN A 47 13.701 34.486 -7.267 1.00 0.00 C ATOM 742 C ASN A 47 12.981 33.298 -7.924 1.00 0.00 C ATOM 743 O ASN A 47 13.212 32.981 -9.094 1.00 0.00 O ATOM 744 CB ASN A 47 14.353 35.461 -8.276 1.00 0.00 C ATOM 745 CG ASN A 47 13.324 36.140 -9.181 1.00 0.00 C ATOM 746 OD1 ASN A 47 13.249 35.888 -10.379 1.00 0.00 O ATOM 747 ND2 ASN A 47 12.495 37.015 -8.637 1.00 0.00 N ATOM 0 H ASN A 47 14.060 33.537 -5.469 1.00 0.00 H new ATOM 0 HA ASN A 47 12.951 35.116 -6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.912 36.222 -7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.070 34.917 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.794 37.480 -9.214 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.557 37.225 -7.641 1.00 0.00 H new ATOM 754 N ALA A 48 12.141 32.606 -7.143 1.00 0.00 N ATOM 755 CA ALA A 48 11.518 31.347 -7.593 1.00 0.00 C ATOM 756 C ALA A 48 10.157 31.044 -6.926 1.00 0.00 C ATOM 757 O ALA A 48 9.917 31.499 -5.804 1.00 0.00 O ATOM 758 CB ALA A 48 12.521 30.200 -7.362 1.00 0.00 C ATOM 0 H ALA A 48 11.876 32.892 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 48 11.288 31.451 -8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.079 29.259 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.430 30.391 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.764 30.138 -6.301 1.00 0.00 H new ATOM 764 N PRO A 49 9.278 30.260 -7.588 1.00 0.00 N ATOM 765 CA PRO A 49 8.052 29.737 -6.989 1.00 0.00 C ATOM 766 C PRO A 49 8.354 28.552 -6.058 1.00 0.00 C ATOM 767 O PRO A 49 9.469 28.032 -6.032 1.00 0.00 O ATOM 768 CB PRO A 49 7.188 29.306 -8.179 1.00 0.00 C ATOM 769 CG PRO A 49 8.226 28.826 -9.192 1.00 0.00 C ATOM 770 CD PRO A 49 9.389 29.796 -8.970 1.00 0.00 C ATOM 0 HA PRO A 49 7.548 30.479 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.491 28.513 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.594 30.133 -8.569 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.521 27.792 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.848 28.875 -10.213 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.346 29.301 -9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.336 30.633 -9.667 1.00 0.00 H new ATOM 778 N PHE A 50 7.327 28.097 -5.337 1.00 0.00 N ATOM 779 CA PHE A 50 7.323 26.865 -4.546 1.00 0.00 C ATOM 780 C PHE A 50 5.880 26.411 -4.265 1.00 0.00 C ATOM 781 O PHE A 50 4.995 27.249 -4.077 1.00 0.00 O ATOM 782 CB PHE A 50 8.126 27.050 -3.238 1.00 0.00 C ATOM 783 CG PHE A 50 7.477 27.961 -2.208 1.00 0.00 C ATOM 784 CD1 PHE A 50 6.571 27.435 -1.266 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.776 29.337 -2.202 1.00 0.00 C ATOM 786 CE1 PHE A 50 5.946 28.285 -0.336 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.157 30.184 -1.267 1.00 0.00 C ATOM 788 CZ PHE A 50 6.236 29.661 -0.340 1.00 0.00 C ATOM 0 H PHE A 50 6.440 28.597 -5.286 1.00 0.00 H new ATOM 0 HA PHE A 50 7.813 26.080 -5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.285 26.071 -2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.109 27.450 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.356 26.377 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.480 29.741 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.245 27.882 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.389 31.239 -1.260 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.752 30.317 0.369 1.00 0.00 H new ATOM 798 N GLU A 51 5.647 25.096 -4.193 1.00 0.00 N ATOM 799 CA GLU A 51 4.375 24.528 -3.721 1.00 0.00 C ATOM 800 C GLU A 51 4.548 23.844 -2.364 1.00 0.00 C ATOM 801 O GLU A 51 5.269 22.861 -2.236 1.00 0.00 O ATOM 802 CB GLU A 51 3.800 23.537 -4.746 1.00 0.00 C ATOM 803 CG GLU A 51 3.194 24.242 -5.965 1.00 0.00 C ATOM 804 CD GLU A 51 1.984 25.112 -5.590 1.00 0.00 C ATOM 805 OE1 GLU A 51 0.919 24.553 -5.232 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.099 26.360 -5.623 1.00 0.00 O ATOM 0 H GLU A 51 6.335 24.392 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 51 3.670 25.351 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.589 22.861 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.036 22.925 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.954 24.864 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.890 23.497 -6.700 1.00 0.00 H new ATOM 813 N SER A 52 3.852 24.331 -1.340 1.00 0.00 N ATOM 814 CA SER A 52 3.806 23.720 -0.010 1.00 0.00 C ATOM 815 C SER A 52 2.892 22.478 -0.020 1.00 0.00 C ATOM 816 O SER A 52 1.710 22.555 0.330 1.00 0.00 O ATOM 817 CB SER A 52 3.302 24.772 0.994 1.00 0.00 C ATOM 818 OG SER A 52 2.006 25.212 0.616 1.00 0.00 O ATOM 0 H SER A 52 3.291 25.180 -1.411 1.00 0.00 H new ATOM 0 HA SER A 52 4.802 23.389 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.274 24.347 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.989 25.618 1.025 1.00 0.00 H new ATOM 0 HG SER A 52 1.462 24.440 0.353 1.00 0.00 H new ATOM 824 N VAL A 53 3.414 21.328 -0.453 1.00 0.00 N ATOM 825 CA VAL A 53 2.659 20.069 -0.489 1.00 0.00 C ATOM 826 C VAL A 53 2.629 19.478 0.930 1.00 0.00 C ATOM 827 O VAL A 53 3.627 18.959 1.434 1.00 0.00 O ATOM 828 CB VAL A 53 3.217 19.067 -1.526 1.00 0.00 C ATOM 829 CG1 VAL A 53 2.177 17.963 -1.767 1.00 0.00 C ATOM 830 CG2 VAL A 53 3.550 19.718 -2.883 1.00 0.00 C ATOM 0 H VAL A 53 4.373 21.241 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 53 1.641 20.277 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 53 4.144 18.671 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.563 17.252 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.972 17.445 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.256 18.407 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.937 18.961 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.648 20.160 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.301 20.495 -2.739 1.00 0.00 H new ATOM 840 N ASN A 54 1.476 19.605 1.595 1.00 0.00 N ATOM 841 CA ASN A 54 1.316 19.213 2.998 1.00 0.00 C ATOM 842 C ASN A 54 1.214 17.685 3.155 1.00 0.00 C ATOM 843 O ASN A 54 0.289 17.058 2.637 1.00 0.00 O ATOM 844 CB ASN A 54 0.105 19.934 3.613 1.00 0.00 C ATOM 845 CG ASN A 54 -0.080 19.624 5.099 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.790 19.084 5.772 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.244 19.913 5.644 1.00 0.00 N ATOM 0 H ASN A 54 0.627 19.983 1.175 1.00 0.00 H new ATOM 0 HA ASN A 54 2.208 19.520 3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.225 21.010 3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.796 19.646 3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.419 19.687 6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.970 20.363 5.087 1.00 0.00 H new ATOM 854 N ILE A 55 2.139 17.072 3.904 1.00 0.00 N ATOM 855 CA ILE A 55 2.148 15.610 4.148 1.00 0.00 C ATOM 856 C ILE A 55 1.074 15.143 5.145 1.00 0.00 C ATOM 857 O ILE A 55 0.522 14.058 4.962 1.00 0.00 O ATOM 858 CB ILE A 55 3.562 15.114 4.560 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.229 15.959 5.671 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.483 15.051 3.329 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.177 15.149 6.556 1.00 0.00 C ATOM 0 H ILE A 55 2.904 17.568 4.361 1.00 0.00 H new ATOM 0 HA ILE A 55 1.887 15.148 3.196 1.00 0.00 H new ATOM 0 HB ILE A 55 3.417 14.118 4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.782 16.779 5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.454 16.406 6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.471 14.702 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.063 14.362 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.568 16.044 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.612 15.800 7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.624 14.345 7.041 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.972 14.724 5.944 1.00 0.00 H new ATOM 873 N LEU A 56 0.751 15.941 6.170 1.00 0.00 N ATOM 874 CA LEU A 56 -0.095 15.521 7.304 1.00 0.00 C ATOM 875 C LEU A 56 -1.578 15.352 6.947 1.00 0.00 C ATOM 876 O LEU A 56 -2.214 14.418 7.435 1.00 0.00 O ATOM 877 CB LEU A 56 0.065 16.525 8.468 1.00 0.00 C ATOM 878 CG LEU A 56 1.049 16.070 9.564 1.00 0.00 C ATOM 879 CD1 LEU A 56 2.470 15.901 9.016 1.00 0.00 C ATOM 880 CD2 LEU A 56 1.052 17.094 10.709 1.00 0.00 C ATOM 0 H LEU A 56 1.071 16.907 6.240 1.00 0.00 H new ATOM 0 HA LEU A 56 0.253 14.532 7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.403 17.480 8.066 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.911 16.698 8.921 1.00 0.00 H new ATOM 0 HG LEU A 56 0.717 15.099 9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.134 15.580 9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.468 15.151 8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.820 16.852 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.748 16.772 11.484 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.360 18.067 10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.050 17.171 11.131 1.00 0.00 H new ATOM 892 N GLU A 57 -2.127 16.226 6.098 1.00 0.00 N ATOM 893 CA GLU A 57 -3.535 16.134 5.674 1.00 0.00 C ATOM 894 C GLU A 57 -3.791 14.996 4.667 1.00 0.00 C ATOM 895 O GLU A 57 -4.927 14.534 4.534 1.00 0.00 O ATOM 896 CB GLU A 57 -4.032 17.489 5.134 1.00 0.00 C ATOM 897 CG GLU A 57 -3.432 17.905 3.785 1.00 0.00 C ATOM 898 CD GLU A 57 -3.957 19.287 3.367 1.00 0.00 C ATOM 899 OE1 GLU A 57 -3.430 20.311 3.864 1.00 0.00 O ATOM 900 OE2 GLU A 57 -4.896 19.354 2.536 1.00 0.00 O ATOM 0 H GLU A 57 -1.619 17.009 5.687 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.114 15.882 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.117 17.449 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.807 18.262 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.345 17.928 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.686 17.167 3.024 1.00 0.00 H new ATOM 907 N ASN A 58 -2.747 14.533 3.963 1.00 0.00 N ATOM 908 CA ASN A 58 -2.857 13.510 2.920 1.00 0.00 C ATOM 909 C ASN A 58 -2.479 12.096 3.415 1.00 0.00 C ATOM 910 O ASN A 58 -3.220 11.146 3.158 1.00 0.00 O ATOM 911 CB ASN A 58 -1.978 13.947 1.736 1.00 0.00 C ATOM 912 CG ASN A 58 -2.128 12.993 0.560 1.00 0.00 C ATOM 913 OD1 ASN A 58 -1.416 12.007 0.466 1.00 0.00 O ATOM 914 ND2 ASN A 58 -3.075 13.226 -0.328 1.00 0.00 N ATOM 0 H ASN A 58 -1.793 14.864 4.106 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.900 13.431 2.613 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.254 14.955 1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.934 13.983 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.218 12.579 -1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.665 14.054 -0.240 1.00 0.00 H new ATOM 921 N GLU A 59 -1.325 11.941 4.085 1.00 0.00 N ATOM 922 CA GLU A 59 -0.776 10.703 4.683 1.00 0.00 C ATOM 923 C GLU A 59 -0.316 9.623 3.684 1.00 0.00 C ATOM 924 O GLU A 59 0.695 8.963 3.927 1.00 0.00 O ATOM 925 CB GLU A 59 -1.712 10.097 5.745 1.00 0.00 C ATOM 926 CG GLU A 59 -2.024 11.098 6.865 1.00 0.00 C ATOM 927 CD GLU A 59 -2.434 10.366 8.146 1.00 0.00 C ATOM 928 OE1 GLU A 59 -1.528 9.983 8.926 1.00 0.00 O ATOM 929 OE2 GLU A 59 -3.651 10.159 8.372 1.00 0.00 O ATOM 0 H GLU A 59 -0.702 12.734 4.236 1.00 0.00 H new ATOM 0 HA GLU A 59 0.136 11.049 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.641 9.779 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.250 9.206 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.149 11.719 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.825 11.766 6.550 1.00 0.00 H new ATOM 936 N LEU A 60 -0.982 9.462 2.536 1.00 0.00 N ATOM 937 CA LEU A 60 -0.525 8.610 1.430 1.00 0.00 C ATOM 938 C LEU A 60 0.828 9.122 0.906 1.00 0.00 C ATOM 939 O LEU A 60 1.771 8.356 0.744 1.00 0.00 O ATOM 940 CB LEU A 60 -1.640 8.583 0.357 1.00 0.00 C ATOM 941 CG LEU A 60 -1.668 7.388 -0.621 1.00 0.00 C ATOM 942 CD1 LEU A 60 -0.387 7.247 -1.455 1.00 0.00 C ATOM 943 CD2 LEU A 60 -1.978 6.070 0.105 1.00 0.00 C ATOM 0 H LEU A 60 -1.869 9.928 2.345 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.351 7.583 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.601 8.618 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.560 9.497 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.476 7.606 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.478 6.387 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.238 8.149 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.466 7.104 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.989 5.252 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.213 5.880 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.952 6.141 0.588 1.00 0.00 H new ATOM 955 N LEU A 61 0.960 10.444 0.764 1.00 0.00 N ATOM 956 CA LEU A 61 2.221 11.139 0.483 1.00 0.00 C ATOM 957 C LEU A 61 3.255 10.913 1.600 1.00 0.00 C ATOM 958 O LEU A 61 4.395 10.575 1.305 1.00 0.00 O ATOM 959 CB LEU A 61 1.887 12.636 0.299 1.00 0.00 C ATOM 960 CG LEU A 61 3.047 13.503 -0.225 1.00 0.00 C ATOM 961 CD1 LEU A 61 3.368 13.205 -1.695 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.653 14.978 -0.099 1.00 0.00 C ATOM 0 H LEU A 61 0.167 11.081 0.844 1.00 0.00 H new ATOM 0 HA LEU A 61 2.679 10.743 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.048 12.723 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.556 13.039 1.256 1.00 0.00 H new ATOM 0 HG LEU A 61 3.933 13.276 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.192 13.839 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.651 12.158 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.489 13.406 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.466 15.604 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.755 15.166 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.457 15.214 0.947 1.00 0.00 H new ATOM 974 N ARG A 62 2.859 11.040 2.874 1.00 0.00 N ATOM 975 CA ARG A 62 3.752 10.899 4.046 1.00 0.00 C ATOM 976 C ARG A 62 4.470 9.537 4.085 1.00 0.00 C ATOM 977 O ARG A 62 5.650 9.469 4.423 1.00 0.00 O ATOM 978 CB ARG A 62 2.940 11.140 5.338 1.00 0.00 C ATOM 979 CG ARG A 62 3.830 11.297 6.581 1.00 0.00 C ATOM 980 CD ARG A 62 3.047 11.761 7.824 1.00 0.00 C ATOM 981 NE ARG A 62 1.985 10.817 8.236 1.00 0.00 N ATOM 982 CZ ARG A 62 2.132 9.674 8.901 1.00 0.00 C ATOM 983 NH1 ARG A 62 3.317 9.188 9.209 1.00 0.00 N ATOM 984 NH2 ARG A 62 1.069 8.994 9.269 1.00 0.00 N ATOM 0 H ARG A 62 1.894 11.247 3.130 1.00 0.00 H new ATOM 0 HA ARG A 62 4.538 11.650 3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.331 12.036 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.254 10.307 5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.314 10.345 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.621 12.016 6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.742 11.898 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.599 12.734 7.620 1.00 0.00 H new ATOM 0 HE ARG A 62 1.031 11.072 7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.161 9.691 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.390 8.308 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.137 9.343 9.045 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.176 8.117 9.779 1.00 0.00 H new ATOM 998 N GLN A 63 3.766 8.457 3.730 1.00 0.00 N ATOM 999 CA GLN A 63 4.339 7.100 3.690 1.00 0.00 C ATOM 1000 C GLN A 63 4.955 6.737 2.324 1.00 0.00 C ATOM 1001 O GLN A 63 5.956 6.021 2.283 1.00 0.00 O ATOM 1002 CB GLN A 63 3.269 6.093 4.151 1.00 0.00 C ATOM 1003 CG GLN A 63 2.109 5.889 3.164 1.00 0.00 C ATOM 1004 CD GLN A 63 0.883 5.286 3.844 1.00 0.00 C ATOM 1005 OE1 GLN A 63 0.690 4.078 3.889 1.00 0.00 O ATOM 1006 NE2 GLN A 63 0.026 6.105 4.417 1.00 0.00 N ATOM 0 H GLN A 63 2.783 8.495 3.462 1.00 0.00 H new ATOM 0 HA GLN A 63 5.182 7.061 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.749 5.131 4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.861 6.428 5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.842 6.846 2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.433 5.236 2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.182 7.112 4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.794 5.732 4.895 1.00 0.00 H new ATOM 1015 N GLY A 64 4.390 7.226 1.208 1.00 0.00 N ATOM 1016 CA GLY A 64 4.783 6.830 -0.155 1.00 0.00 C ATOM 1017 C GLY A 64 5.923 7.652 -0.756 1.00 0.00 C ATOM 1018 O GLY A 64 6.760 7.096 -1.466 1.00 0.00 O ATOM 0 H GLY A 64 3.639 7.916 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.077 5.781 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.913 6.910 -0.807 1.00 0.00 H new ATOM 1022 N LEU A 65 6.019 8.954 -0.460 1.00 0.00 N ATOM 1023 CA LEU A 65 7.063 9.832 -1.014 1.00 0.00 C ATOM 1024 C LEU A 65 8.453 9.432 -0.492 1.00 0.00 C ATOM 1025 O LEU A 65 9.438 9.518 -1.219 1.00 0.00 O ATOM 1026 CB LEU A 65 6.672 11.301 -0.719 1.00 0.00 C ATOM 1027 CG LEU A 65 7.285 12.439 -1.568 1.00 0.00 C ATOM 1028 CD1 LEU A 65 8.812 12.523 -1.479 1.00 0.00 C ATOM 1029 CD2 LEU A 65 6.855 12.341 -3.039 1.00 0.00 C ATOM 0 H LEU A 65 5.375 9.431 0.171 1.00 0.00 H new ATOM 0 HA LEU A 65 7.132 9.722 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.588 11.374 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.920 11.502 0.323 1.00 0.00 H new ATOM 0 HG LEU A 65 6.890 13.358 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.168 13.344 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.107 12.697 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.249 11.588 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.305 13.157 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.185 11.388 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.769 12.409 -3.106 1.00 0.00 H new ATOM 1041 N LYS A 66 8.555 8.876 0.716 1.00 0.00 N ATOM 1042 CA LYS A 66 9.815 8.306 1.227 1.00 0.00 C ATOM 1043 C LYS A 66 10.312 7.099 0.402 1.00 0.00 C ATOM 1044 O LYS A 66 11.522 6.911 0.287 1.00 0.00 O ATOM 1045 CB LYS A 66 9.660 7.956 2.715 1.00 0.00 C ATOM 1046 CG LYS A 66 9.418 9.215 3.565 1.00 0.00 C ATOM 1047 CD LYS A 66 9.664 8.980 5.059 1.00 0.00 C ATOM 1048 CE LYS A 66 8.700 7.950 5.664 1.00 0.00 C ATOM 1049 NZ LYS A 66 8.988 7.715 7.107 1.00 0.00 N ATOM 0 H LYS A 66 7.775 8.805 1.369 1.00 0.00 H new ATOM 0 HA LYS A 66 10.589 9.066 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.828 7.263 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.557 7.445 3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.071 10.015 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.392 9.554 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.690 8.641 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.561 9.925 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.674 8.299 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.780 7.010 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.319 7.014 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.959 7.359 7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.887 8.608 7.631 1.00 0.00 H new ATOM 1063 N GLU A 67 9.419 6.347 -0.249 1.00 0.00 N ATOM 1064 CA GLU A 67 9.797 5.310 -1.226 1.00 0.00 C ATOM 1065 C GLU A 67 10.167 5.926 -2.592 1.00 0.00 C ATOM 1066 O GLU A 67 11.109 5.472 -3.241 1.00 0.00 O ATOM 1067 CB GLU A 67 8.665 4.283 -1.411 1.00 0.00 C ATOM 1068 CG GLU A 67 8.251 3.565 -0.120 1.00 0.00 C ATOM 1069 CD GLU A 67 9.407 2.760 0.493 1.00 0.00 C ATOM 1070 OE1 GLU A 67 9.747 1.678 -0.043 1.00 0.00 O ATOM 1071 OE2 GLU A 67 9.977 3.196 1.520 1.00 0.00 O ATOM 0 H GLU A 67 8.412 6.437 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 67 10.675 4.802 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.794 4.790 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.980 3.539 -2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.897 4.299 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.416 2.896 -0.330 1.00 0.00 H new ATOM 1078 N TYR A 68 9.460 6.983 -3.020 1.00 0.00 N ATOM 1079 CA TYR A 68 9.717 7.702 -4.280 1.00 0.00 C ATOM 1080 C TYR A 68 11.068 8.452 -4.290 1.00 0.00 C ATOM 1081 O TYR A 68 11.731 8.536 -5.324 1.00 0.00 O ATOM 1082 CB TYR A 68 8.556 8.688 -4.492 1.00 0.00 C ATOM 1083 CG TYR A 68 8.456 9.321 -5.870 1.00 0.00 C ATOM 1084 CD1 TYR A 68 8.126 8.522 -6.981 1.00 0.00 C ATOM 1085 CD2 TYR A 68 8.625 10.712 -6.034 1.00 0.00 C ATOM 1086 CE1 TYR A 68 7.955 9.106 -8.252 1.00 0.00 C ATOM 1087 CE2 TYR A 68 8.427 11.304 -7.295 1.00 0.00 C ATOM 1088 CZ TYR A 68 8.098 10.504 -8.411 1.00 0.00 C ATOM 1089 OH TYR A 68 7.921 11.069 -9.636 1.00 0.00 O ATOM 0 H TYR A 68 8.679 7.370 -2.491 1.00 0.00 H new ATOM 0 HA TYR A 68 9.780 6.975 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.621 8.166 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.645 9.486 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.003 7.456 -6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.907 11.324 -5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.715 8.487 -9.104 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.527 12.373 -7.410 1.00 0.00 H new ATOM 0 HH TYR A 68 8.054 12.038 -9.572 1.00 0.00 H new ATOM 1099 N SER A 69 11.475 8.992 -3.138 1.00 0.00 N ATOM 1100 CA SER A 69 12.677 9.833 -2.962 1.00 0.00 C ATOM 1101 C SER A 69 13.835 9.161 -2.191 1.00 0.00 C ATOM 1102 O SER A 69 14.945 9.693 -2.193 1.00 0.00 O ATOM 1103 CB SER A 69 12.279 11.129 -2.232 1.00 0.00 C ATOM 1104 OG SER A 69 11.714 10.879 -0.949 1.00 0.00 O ATOM 0 H SER A 69 10.963 8.855 -2.267 1.00 0.00 H new ATOM 0 HA SER A 69 13.056 10.024 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.158 11.765 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.562 11.680 -2.841 1.00 0.00 H new ATOM 0 HG SER A 69 10.861 10.408 -1.053 1.00 0.00 H new ATOM 1110 N SER A 70 13.593 8.034 -1.506 1.00 0.00 N ATOM 1111 CA SER A 70 14.528 7.343 -0.583 1.00 0.00 C ATOM 1112 C SER A 70 14.854 8.148 0.702 1.00 0.00 C ATOM 1113 O SER A 70 15.707 7.745 1.501 1.00 0.00 O ATOM 1114 CB SER A 70 15.817 6.885 -1.297 1.00 0.00 C ATOM 1115 OG SER A 70 15.535 6.016 -2.390 1.00 0.00 O ATOM 0 H SER A 70 12.698 7.550 -1.579 1.00 0.00 H new ATOM 0 HA SER A 70 13.991 6.454 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.363 7.757 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.466 6.375 -0.585 1.00 0.00 H new ATOM 0 HG SER A 70 16.374 5.748 -2.819 1.00 0.00 H new ATOM 1121 N TRP A 71 14.190 9.290 0.919 1.00 0.00 N ATOM 1122 CA TRP A 71 14.467 10.248 1.996 1.00 0.00 C ATOM 1123 C TRP A 71 13.977 9.762 3.386 1.00 0.00 C ATOM 1124 O TRP A 71 12.893 9.174 3.462 1.00 0.00 O ATOM 1125 CB TRP A 71 13.793 11.565 1.606 1.00 0.00 C ATOM 1126 CG TRP A 71 14.161 12.756 2.430 1.00 0.00 C ATOM 1127 CD1 TRP A 71 13.401 13.303 3.405 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.390 13.545 2.385 1.00 0.00 C ATOM 1129 NE1 TRP A 71 14.073 14.373 3.958 1.00 0.00 N ATOM 1130 CE2 TRP A 71 15.308 14.558 3.384 1.00 0.00 C ATOM 1131 CE3 TRP A 71 16.579 13.482 1.630 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 16.358 15.452 3.638 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 17.647 14.364 1.886 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.543 15.343 2.889 1.00 0.00 C ATOM 0 H TRP A 71 13.414 9.583 0.325 1.00 0.00 H new ATOM 0 HA TRP A 71 15.545 10.368 2.102 1.00 0.00 H new ATOM 0 HB2 TRP A 71 14.034 11.779 0.565 1.00 0.00 H new ATOM 0 HB3 TRP A 71 12.713 11.428 1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.423 12.957 3.704 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.698 14.958 4.705 1.00 0.00 H new ATOM 0 HE3 TRP A 71 16.672 12.747 0.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 16.258 16.213 4.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 18.555 14.287 1.306 1.00 0.00 H new ATOM 0 HH2 TRP A 71 18.370 16.009 3.084 1.00 0.00 H new ATOM 1145 N PRO A 72 14.724 10.011 4.488 1.00 0.00 N ATOM 1146 CA PRO A 72 14.393 9.474 5.808 1.00 0.00 C ATOM 1147 C PRO A 72 13.300 10.262 6.551 1.00 0.00 C ATOM 1148 O PRO A 72 12.367 9.640 7.063 1.00 0.00 O ATOM 1149 CB PRO A 72 15.718 9.467 6.582 1.00 0.00 C ATOM 1150 CG PRO A 72 16.506 10.623 5.967 1.00 0.00 C ATOM 1151 CD PRO A 72 16.061 10.598 4.505 1.00 0.00 C ATOM 0 HA PRO A 72 13.961 8.478 5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.558 9.615 7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.243 8.519 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.269 11.573 6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 72 17.582 10.476 6.065 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.048 11.604 4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 72 16.751 10.010 3.900 1.00 0.00 H new ATOM 1159 N THR A 73 13.402 11.602 6.638 1.00 0.00 N ATOM 1160 CA THR A 73 12.543 12.447 7.500 1.00 0.00 C ATOM 1161 C THR A 73 12.334 13.842 6.915 1.00 0.00 C ATOM 1162 O THR A 73 13.302 14.555 6.659 1.00 0.00 O ATOM 1163 CB THR A 73 13.134 12.604 8.916 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.453 13.091 8.820 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.152 11.308 9.730 1.00 0.00 C ATOM 0 H THR A 73 14.089 12.137 6.107 1.00 0.00 H new ATOM 0 HA THR A 73 11.585 11.931 7.554 1.00 0.00 H new ATOM 0 HB THR A 73 12.481 13.301 9.441 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.498 13.777 8.122 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.582 11.502 10.713 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.134 10.937 9.846 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.753 10.561 9.212 1.00 0.00 H new ATOM 1173 N PHE A 74 11.074 14.252 6.759 1.00 0.00 N ATOM 1174 CA PHE A 74 10.673 15.580 6.266 1.00 0.00 C ATOM 1175 C PHE A 74 11.075 16.719 7.241 1.00 0.00 C ATOM 1176 O PHE A 74 11.245 16.443 8.436 1.00 0.00 O ATOM 1177 CB PHE A 74 9.157 15.546 6.001 1.00 0.00 C ATOM 1178 CG PHE A 74 8.769 14.530 4.946 1.00 0.00 C ATOM 1179 CD1 PHE A 74 9.045 14.788 3.591 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.177 13.308 5.319 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.732 13.828 2.612 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.854 12.354 4.340 1.00 0.00 C ATOM 1183 CZ PHE A 74 8.141 12.608 2.988 1.00 0.00 C ATOM 0 H PHE A 74 10.277 13.654 6.978 1.00 0.00 H new ATOM 0 HA PHE A 74 11.204 15.803 5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.635 15.316 6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.825 16.535 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.498 15.725 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.971 13.104 6.359 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.945 14.027 1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.385 11.424 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.908 11.867 2.238 1.00 0.00 H new ATOM 1193 N PRO A 75 11.183 17.995 6.793 1.00 0.00 N ATOM 1194 CA PRO A 75 10.921 18.518 5.443 1.00 0.00 C ATOM 1195 C PRO A 75 11.852 17.989 4.343 1.00 0.00 C ATOM 1196 O PRO A 75 12.926 17.461 4.626 1.00 0.00 O ATOM 1197 CB PRO A 75 11.051 20.045 5.546 1.00 0.00 C ATOM 1198 CG PRO A 75 10.809 20.332 7.022 1.00 0.00 C ATOM 1199 CD PRO A 75 11.433 19.116 7.696 1.00 0.00 C ATOM 0 HA PRO A 75 9.930 18.183 5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.037 20.385 5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.321 20.552 4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.284 21.261 7.339 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.747 20.423 7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.502 19.261 7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.987 18.938 8.675 1.00 0.00 H new ATOM 1207 N GLN A 76 11.438 18.162 3.082 1.00 0.00 N ATOM 1208 CA GLN A 76 12.228 17.794 1.901 1.00 0.00 C ATOM 1209 C GLN A 76 11.911 18.734 0.726 1.00 0.00 C ATOM 1210 O GLN A 76 10.746 18.986 0.418 1.00 0.00 O ATOM 1211 CB GLN A 76 11.915 16.334 1.513 1.00 0.00 C ATOM 1212 CG GLN A 76 12.801 15.791 0.373 1.00 0.00 C ATOM 1213 CD GLN A 76 12.165 14.603 -0.355 1.00 0.00 C ATOM 1214 OE1 GLN A 76 12.022 14.585 -1.569 1.00 0.00 O ATOM 1215 NE2 GLN A 76 11.748 13.572 0.347 1.00 0.00 N ATOM 0 H GLN A 76 10.531 18.568 2.850 1.00 0.00 H new ATOM 0 HA GLN A 76 13.288 17.888 2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.039 15.700 2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.869 16.263 1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.994 16.590 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.765 15.488 0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.858 13.567 1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.315 12.777 -0.123 1.00 0.00 H new ATOM 1224 N LEU A 77 12.955 19.210 0.041 1.00 0.00 N ATOM 1225 CA LEU A 77 12.866 19.934 -1.224 1.00 0.00 C ATOM 1226 C LEU A 77 12.932 18.939 -2.388 1.00 0.00 C ATOM 1227 O LEU A 77 13.777 18.040 -2.401 1.00 0.00 O ATOM 1228 CB LEU A 77 14.042 20.915 -1.381 1.00 0.00 C ATOM 1229 CG LEU A 77 14.064 22.143 -0.455 1.00 0.00 C ATOM 1230 CD1 LEU A 77 14.601 21.806 0.947 1.00 0.00 C ATOM 1231 CD2 LEU A 77 14.943 23.214 -1.125 1.00 0.00 C ATOM 0 H LEU A 77 13.915 19.097 0.365 1.00 0.00 H new ATOM 0 HA LEU A 77 11.925 20.484 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.967 20.360 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.050 21.269 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 77 13.046 22.504 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.597 22.705 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.967 21.048 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.620 21.427 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.981 24.101 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.951 22.823 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.521 23.477 -2.095 1.00 0.00 H new ATOM 1243 N TYR A 78 12.115 19.161 -3.414 1.00 0.00 N ATOM 1244 CA TYR A 78 12.093 18.363 -4.643 1.00 0.00 C ATOM 1245 C TYR A 78 11.820 19.264 -5.856 1.00 0.00 C ATOM 1246 O TYR A 78 11.001 20.187 -5.786 1.00 0.00 O ATOM 1247 CB TYR A 78 11.057 17.244 -4.464 1.00 0.00 C ATOM 1248 CG TYR A 78 11.020 16.166 -5.530 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.490 16.437 -6.806 1.00 0.00 C ATOM 1250 CD2 TYR A 78 11.466 14.865 -5.225 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.438 15.421 -7.778 1.00 0.00 C ATOM 1252 CE2 TYR A 78 11.412 13.842 -6.191 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.900 14.123 -7.476 1.00 0.00 C ATOM 1254 OH TYR A 78 10.844 13.147 -8.425 1.00 0.00 O ATOM 0 H TYR A 78 11.432 19.919 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 78 13.060 17.898 -4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 78 11.239 16.764 -3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.069 17.702 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.123 17.426 -7.039 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.853 14.650 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.043 15.636 -8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.760 12.848 -5.950 1.00 0.00 H new ATOM 0 HH TYR A 78 10.169 12.483 -8.172 1.00 0.00 H new ATOM 1264 N ILE A 79 12.535 19.046 -6.962 1.00 0.00 N ATOM 1265 CA ILE A 79 12.516 19.950 -8.123 1.00 0.00 C ATOM 1266 C ILE A 79 12.500 19.150 -9.438 1.00 0.00 C ATOM 1267 O ILE A 79 13.388 18.331 -9.675 1.00 0.00 O ATOM 1268 CB ILE A 79 13.702 20.955 -8.084 1.00 0.00 C ATOM 1269 CG1 ILE A 79 13.862 21.658 -6.711 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.490 21.998 -9.198 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.026 22.652 -6.613 1.00 0.00 C ATOM 0 H ILE A 79 13.145 18.238 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 79 11.598 20.535 -8.075 1.00 0.00 H new ATOM 0 HB ILE A 79 14.624 20.395 -8.243 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.936 22.185 -6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.993 20.895 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.312 22.713 -9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.458 21.496 -10.165 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.550 22.523 -9.030 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.049 23.087 -5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 79 15.965 22.133 -6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.892 23.443 -7.351 1.00 0.00 H new ATOM 1283 N ASP A 80 11.469 19.378 -10.261 1.00 0.00 N ATOM 1284 CA ASP A 80 11.278 18.945 -11.665 1.00 0.00 C ATOM 1285 C ASP A 80 11.169 17.424 -11.919 1.00 0.00 C ATOM 1286 O ASP A 80 10.595 17.006 -12.928 1.00 0.00 O ATOM 1287 CB ASP A 80 12.385 19.578 -12.532 1.00 0.00 C ATOM 1288 CG ASP A 80 12.073 19.511 -14.036 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.221 20.306 -14.502 1.00 0.00 O ATOM 1290 OD2 ASP A 80 12.722 18.708 -14.750 1.00 0.00 O ATOM 0 H ASP A 80 10.668 19.921 -9.938 1.00 0.00 H new ATOM 0 HA ASP A 80 10.288 19.304 -11.947 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.519 20.619 -12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.329 19.068 -12.338 1.00 0.00 H new ATOM 1295 N GLY A 81 11.694 16.595 -11.011 1.00 0.00 N ATOM 1296 CA GLY A 81 11.850 15.145 -11.161 1.00 0.00 C ATOM 1297 C GLY A 81 12.948 14.511 -10.296 1.00 0.00 C ATOM 1298 O GLY A 81 13.268 13.341 -10.513 1.00 0.00 O ATOM 0 H GLY A 81 12.037 16.932 -10.111 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.900 14.667 -10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.062 14.925 -12.207 1.00 0.00 H new ATOM 1302 N GLU A 82 13.526 15.240 -9.331 1.00 0.00 N ATOM 1303 CA GLU A 82 14.514 14.716 -8.380 1.00 0.00 C ATOM 1304 C GLU A 82 14.451 15.476 -7.040 1.00 0.00 C ATOM 1305 O GLU A 82 14.115 16.666 -7.005 1.00 0.00 O ATOM 1306 CB GLU A 82 15.921 14.812 -9.006 1.00 0.00 C ATOM 1307 CG GLU A 82 17.000 13.975 -8.307 1.00 0.00 C ATOM 1308 CD GLU A 82 16.737 12.467 -8.440 1.00 0.00 C ATOM 1309 OE1 GLU A 82 17.208 11.857 -9.431 1.00 0.00 O ATOM 1310 OE2 GLU A 82 16.078 11.881 -7.551 1.00 0.00 O ATOM 0 H GLU A 82 13.316 16.228 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 82 14.287 13.671 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.860 14.501 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.233 15.856 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.975 14.212 -8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.040 14.244 -7.251 1.00 0.00 H new ATOM 1317 N PHE A 83 14.788 14.803 -5.932 1.00 0.00 N ATOM 1318 CA PHE A 83 14.927 15.455 -4.629 1.00 0.00 C ATOM 1319 C PHE A 83 16.214 16.296 -4.567 1.00 0.00 C ATOM 1320 O PHE A 83 17.259 15.895 -5.085 1.00 0.00 O ATOM 1321 CB PHE A 83 14.825 14.443 -3.477 1.00 0.00 C ATOM 1322 CG PHE A 83 16.084 13.653 -3.172 1.00 0.00 C ATOM 1323 CD1 PHE A 83 16.403 12.502 -3.918 1.00 0.00 C ATOM 1324 CD2 PHE A 83 16.945 14.079 -2.140 1.00 0.00 C ATOM 1325 CE1 PHE A 83 17.578 11.783 -3.636 1.00 0.00 C ATOM 1326 CE2 PHE A 83 18.119 13.358 -1.860 1.00 0.00 C ATOM 1327 CZ PHE A 83 18.438 12.212 -2.609 1.00 0.00 C ATOM 0 H PHE A 83 14.970 13.800 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 83 14.092 16.144 -4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 83 14.528 14.978 -2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.025 13.739 -3.708 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.744 12.171 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 83 16.702 14.960 -1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 83 17.820 10.900 -4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 83 18.777 13.685 -1.068 1.00 0.00 H new ATOM 0 HZ PHE A 83 19.342 11.662 -2.396 1.00 0.00 H new ATOM 1337 N PHE A 84 16.140 17.462 -3.917 1.00 0.00 N ATOM 1338 CA PHE A 84 17.282 18.354 -3.716 1.00 0.00 C ATOM 1339 C PHE A 84 17.945 18.136 -2.341 1.00 0.00 C ATOM 1340 O PHE A 84 19.174 18.134 -2.249 1.00 0.00 O ATOM 1341 CB PHE A 84 16.821 19.807 -3.911 1.00 0.00 C ATOM 1342 CG PHE A 84 17.954 20.810 -3.824 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.327 21.356 -2.579 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.674 21.159 -4.984 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.427 22.228 -2.493 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.766 22.040 -4.897 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.148 22.566 -3.652 1.00 0.00 C ATOM 0 H PHE A 84 15.273 17.815 -3.511 1.00 0.00 H new ATOM 0 HA PHE A 84 18.049 18.125 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.336 19.900 -4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.072 20.048 -3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.767 21.104 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.387 20.749 -5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 84 19.718 22.638 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.312 22.313 -5.788 1.00 0.00 H new ATOM 0 HZ PHE A 84 20.996 23.231 -3.585 1.00 0.00 H new ATOM 1357 N GLY A 85 17.145 17.914 -1.285 1.00 0.00 N ATOM 1358 CA GLY A 85 17.623 17.680 0.087 1.00 0.00 C ATOM 1359 C GLY A 85 16.760 18.336 1.165 1.00 0.00 C ATOM 1360 O GLY A 85 15.554 18.497 0.988 1.00 0.00 O ATOM 0 H GLY A 85 16.128 17.892 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.661 16.606 0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.643 18.054 0.175 1.00 0.00 H new ATOM 1364 N GLY A 86 17.382 18.690 2.296 1.00 0.00 N ATOM 1365 CA GLY A 86 16.755 19.354 3.452 1.00 0.00 C ATOM 1366 C GLY A 86 17.205 20.803 3.637 1.00 0.00 C ATOM 1367 O GLY A 86 17.925 21.359 2.804 1.00 0.00 O ATOM 0 H GLY A 86 18.377 18.516 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.672 19.330 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.988 18.791 4.356 1.00 0.00 H new ATOM 1371 N CYS A 87 16.790 21.428 4.743 1.00 0.00 N ATOM 1372 CA CYS A 87 17.072 22.842 5.040 1.00 0.00 C ATOM 1373 C CYS A 87 18.577 23.141 5.147 1.00 0.00 C ATOM 1374 O CYS A 87 19.055 24.069 4.501 1.00 0.00 O ATOM 1375 CB CYS A 87 16.302 23.230 6.313 1.00 0.00 C ATOM 1376 SG CYS A 87 16.595 24.984 6.711 1.00 0.00 S ATOM 0 H CYS A 87 16.242 20.964 5.468 1.00 0.00 H new ATOM 0 HA CYS A 87 16.730 23.457 4.208 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.236 23.055 6.170 1.00 0.00 H new ATOM 0 HB3 CYS A 87 16.620 22.602 7.145 1.00 0.00 H new ATOM 0 HG CYS A 87 16.729 25.121 7.997 1.00 0.00 H new ATOM 1382 N ASP A 88 19.335 22.327 5.883 1.00 0.00 N ATOM 1383 CA ASP A 88 20.781 22.524 6.062 1.00 0.00 C ATOM 1384 C ASP A 88 21.527 22.482 4.721 1.00 0.00 C ATOM 1385 O ASP A 88 22.305 23.384 4.413 1.00 0.00 O ATOM 1386 CB ASP A 88 21.315 21.461 7.029 1.00 0.00 C ATOM 1387 CG ASP A 88 22.811 21.659 7.323 1.00 0.00 C ATOM 1388 OD1 ASP A 88 23.150 22.586 8.096 1.00 0.00 O ATOM 1389 OD2 ASP A 88 23.633 20.873 6.797 1.00 0.00 O ATOM 0 H ASP A 88 18.967 21.512 6.373 1.00 0.00 H new ATOM 0 HA ASP A 88 20.954 23.514 6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.752 21.502 7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.156 20.470 6.604 1.00 0.00 H new ATOM 1394 N ILE A 89 21.197 21.498 3.871 1.00 0.00 N ATOM 1395 CA ILE A 89 21.728 21.393 2.496 1.00 0.00 C ATOM 1396 C ILE A 89 21.357 22.649 1.692 1.00 0.00 C ATOM 1397 O ILE A 89 22.223 23.224 1.034 1.00 0.00 O ATOM 1398 CB ILE A 89 21.235 20.088 1.813 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.792 18.853 2.566 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.649 20.048 0.327 1.00 0.00 C ATOM 1401 CD1 ILE A 89 21.297 17.495 2.045 1.00 0.00 C ATOM 0 H ILE A 89 20.551 20.747 4.116 1.00 0.00 H new ATOM 0 HA ILE A 89 22.816 21.336 2.534 1.00 0.00 H new ATOM 0 HB ILE A 89 20.146 20.068 1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.880 18.872 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.527 18.939 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.291 19.124 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.214 20.900 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.735 20.092 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.742 16.694 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 89 20.211 17.447 2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.586 17.379 1.000 1.00 0.00 H new ATOM 1413 N THR A 90 20.105 23.113 1.800 1.00 0.00 N ATOM 1414 CA THR A 90 19.586 24.309 1.106 1.00 0.00 C ATOM 1415 C THR A 90 20.322 25.566 1.550 1.00 0.00 C ATOM 1416 O THR A 90 20.743 26.340 0.700 1.00 0.00 O ATOM 1417 CB THR A 90 18.073 24.452 1.318 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.458 23.269 0.877 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.460 25.590 0.501 1.00 0.00 C ATOM 0 H THR A 90 19.404 22.659 2.386 1.00 0.00 H new ATOM 0 HA THR A 90 19.766 24.180 0.039 1.00 0.00 H new ATOM 0 HB THR A 90 17.915 24.657 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.562 22.573 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.388 25.640 0.694 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.925 26.534 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.629 25.408 -0.560 1.00 0.00 H new ATOM 1427 N VAL A 91 20.520 25.755 2.855 1.00 0.00 N ATOM 1428 CA VAL A 91 21.238 26.909 3.425 1.00 0.00 C ATOM 1429 C VAL A 91 22.707 26.933 2.968 1.00 0.00 C ATOM 1430 O VAL A 91 23.202 27.989 2.579 1.00 0.00 O ATOM 1431 CB VAL A 91 21.117 26.918 4.968 1.00 0.00 C ATOM 1432 CG1 VAL A 91 22.070 27.918 5.646 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.682 27.273 5.392 1.00 0.00 C ATOM 0 H VAL A 91 20.182 25.103 3.563 1.00 0.00 H new ATOM 0 HA VAL A 91 20.772 27.820 3.050 1.00 0.00 H new ATOM 0 HB VAL A 91 21.388 25.913 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.935 27.874 6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 91 23.101 27.663 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.851 28.926 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 91 19.614 27.275 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.424 28.261 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.990 26.535 4.987 1.00 0.00 H new ATOM 1443 N GLU A 92 23.400 25.787 2.965 1.00 0.00 N ATOM 1444 CA GLU A 92 24.781 25.688 2.475 1.00 0.00 C ATOM 1445 C GLU A 92 24.869 25.903 0.954 1.00 0.00 C ATOM 1446 O GLU A 92 25.748 26.629 0.479 1.00 0.00 O ATOM 1447 CB GLU A 92 25.385 24.326 2.857 1.00 0.00 C ATOM 1448 CG GLU A 92 25.617 24.153 4.369 1.00 0.00 C ATOM 1449 CD GLU A 92 26.680 25.116 4.919 1.00 0.00 C ATOM 1450 OE1 GLU A 92 27.875 24.970 4.566 1.00 0.00 O ATOM 1451 OE2 GLU A 92 26.330 26.020 5.714 1.00 0.00 O ATOM 0 H GLU A 92 23.019 24.903 3.302 1.00 0.00 H new ATOM 0 HA GLU A 92 25.355 26.483 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.723 23.534 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.334 24.201 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 92 24.678 24.315 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.923 23.127 4.570 1.00 0.00 H new ATOM 1458 N ALA A 93 23.947 25.325 0.179 1.00 0.00 N ATOM 1459 CA ALA A 93 23.895 25.459 -1.276 1.00 0.00 C ATOM 1460 C ALA A 93 23.559 26.888 -1.730 1.00 0.00 C ATOM 1461 O ALA A 93 24.098 27.346 -2.736 1.00 0.00 O ATOM 1462 CB ALA A 93 22.876 24.441 -1.803 1.00 0.00 C ATOM 0 H ALA A 93 23.201 24.739 0.555 1.00 0.00 H new ATOM 0 HA ALA A 93 24.882 25.256 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.814 24.517 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.191 23.435 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.898 24.647 -1.369 1.00 0.00 H new ATOM 1468 N TYR A 94 22.709 27.611 -1.000 1.00 0.00 N ATOM 1469 CA TYR A 94 22.377 29.018 -1.243 1.00 0.00 C ATOM 1470 C TYR A 94 23.579 29.951 -1.008 1.00 0.00 C ATOM 1471 O TYR A 94 23.831 30.853 -1.807 1.00 0.00 O ATOM 1472 CB TYR A 94 21.196 29.385 -0.330 1.00 0.00 C ATOM 1473 CG TYR A 94 20.694 30.814 -0.440 1.00 0.00 C ATOM 1474 CD1 TYR A 94 20.241 31.317 -1.677 1.00 0.00 C ATOM 1475 CD2 TYR A 94 20.638 31.630 0.707 1.00 0.00 C ATOM 1476 CE1 TYR A 94 19.728 32.627 -1.766 1.00 0.00 C ATOM 1477 CE2 TYR A 94 20.126 32.938 0.624 1.00 0.00 C ATOM 1478 CZ TYR A 94 19.663 33.439 -0.611 1.00 0.00 C ATOM 1479 OH TYR A 94 19.157 34.702 -0.685 1.00 0.00 O ATOM 0 H TYR A 94 22.216 27.222 -0.197 1.00 0.00 H new ATOM 0 HA TYR A 94 22.103 29.150 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.368 28.711 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.490 29.202 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.287 30.696 -2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 94 20.990 31.250 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.385 33.010 -2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 94 20.087 33.559 1.507 1.00 0.00 H new ATOM 0 HH TYR A 94 19.186 35.119 0.202 1.00 0.00 H new ATOM 1489 N LYS A 95 24.368 29.696 0.045 1.00 0.00 N ATOM 1490 CA LYS A 95 25.631 30.413 0.299 1.00 0.00 C ATOM 1491 C LYS A 95 26.737 30.032 -0.707 1.00 0.00 C ATOM 1492 O LYS A 95 27.560 30.872 -1.071 1.00 0.00 O ATOM 1493 CB LYS A 95 26.086 30.122 1.737 1.00 0.00 C ATOM 1494 CG LYS A 95 25.186 30.790 2.795 1.00 0.00 C ATOM 1495 CD LYS A 95 25.686 30.556 4.231 1.00 0.00 C ATOM 1496 CE LYS A 95 25.721 29.060 4.579 1.00 0.00 C ATOM 1497 NZ LYS A 95 26.189 28.807 5.969 1.00 0.00 N ATOM 0 H LYS A 95 24.151 28.988 0.746 1.00 0.00 H new ATOM 0 HA LYS A 95 25.450 31.480 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.092 29.044 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.111 30.470 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.138 31.862 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 95 24.171 30.403 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 95 26.684 30.980 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 95 25.036 31.079 4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 95 24.724 28.638 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 95 26.377 28.543 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 26.324 27.785 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 27.091 29.300 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 25.480 29.158 6.644 1.00 0.00 H new ATOM 1511 N SER A 96 26.752 28.781 -1.180 1.00 0.00 N ATOM 1512 CA SER A 96 27.772 28.265 -2.113 1.00 0.00 C ATOM 1513 C SER A 96 27.456 28.545 -3.598 1.00 0.00 C ATOM 1514 O SER A 96 28.320 28.355 -4.458 1.00 0.00 O ATOM 1515 CB SER A 96 27.943 26.752 -1.891 1.00 0.00 C ATOM 1516 OG SER A 96 28.225 26.439 -0.534 1.00 0.00 O ATOM 0 H SER A 96 26.050 28.086 -0.925 1.00 0.00 H new ATOM 0 HA SER A 96 28.697 28.798 -1.895 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.034 26.236 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.750 26.382 -2.523 1.00 0.00 H new ATOM 0 HG SER A 96 27.429 26.607 0.013 1.00 0.00 H new ATOM 1522 N GLY A 97 26.225 28.979 -3.916 1.00 0.00 N ATOM 1523 CA GLY A 97 25.744 29.259 -5.282 1.00 0.00 C ATOM 1524 C GLY A 97 25.193 28.030 -6.016 1.00 0.00 C ATOM 1525 O GLY A 97 24.729 28.145 -7.148 1.00 0.00 O ATOM 0 H GLY A 97 25.513 29.151 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 97 24.964 30.019 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 97 26.563 29.680 -5.865 1.00 0.00 H new ATOM 1529 N GLU A 98 25.201 26.859 -5.374 1.00 0.00 N ATOM 1530 CA GLU A 98 24.754 25.588 -5.958 1.00 0.00 C ATOM 1531 C GLU A 98 23.226 25.541 -6.093 1.00 0.00 C ATOM 1532 O GLU A 98 22.715 25.054 -7.102 1.00 0.00 O ATOM 1533 CB GLU A 98 25.263 24.410 -5.109 1.00 0.00 C ATOM 1534 CG GLU A 98 26.788 24.412 -4.939 1.00 0.00 C ATOM 1535 CD GLU A 98 27.269 23.124 -4.259 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.324 23.083 -3.007 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.605 22.149 -4.972 1.00 0.00 O ATOM 0 H GLU A 98 25.526 26.764 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 98 25.174 25.507 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.793 24.447 -4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.956 23.474 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.266 24.513 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.090 25.275 -4.345 1.00 0.00 H new ATOM 1544 N LEU A 99 22.487 26.114 -5.130 1.00 0.00 N ATOM 1545 CA LEU A 99 21.026 26.245 -5.223 1.00 0.00 C ATOM 1546 C LEU A 99 20.650 27.152 -6.402 1.00 0.00 C ATOM 1547 O LEU A 99 19.808 26.778 -7.212 1.00 0.00 O ATOM 1548 CB LEU A 99 20.463 26.763 -3.881 1.00 0.00 C ATOM 1549 CG LEU A 99 18.921 26.852 -3.829 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.252 25.472 -3.852 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.500 27.594 -2.554 1.00 0.00 C ATOM 0 H LEU A 99 22.883 26.497 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 99 20.578 25.270 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 99 20.804 26.107 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 99 20.879 27.751 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 99 18.594 27.391 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.169 25.592 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.527 24.950 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.584 24.892 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.413 27.659 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 99 18.864 27.053 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 99 18.924 28.598 -2.561 1.00 0.00 H new ATOM 1563 N GLN A 100 21.316 28.305 -6.540 1.00 0.00 N ATOM 1564 CA GLN A 100 21.126 29.225 -7.669 1.00 0.00 C ATOM 1565 C GLN A 100 21.378 28.514 -9.006 1.00 0.00 C ATOM 1566 O GLN A 100 20.516 28.559 -9.883 1.00 0.00 O ATOM 1567 CB GLN A 100 22.048 30.444 -7.477 1.00 0.00 C ATOM 1568 CG GLN A 100 21.911 31.499 -8.589 1.00 0.00 C ATOM 1569 CD GLN A 100 22.779 32.726 -8.309 1.00 0.00 C ATOM 1570 OE1 GLN A 100 23.858 32.907 -8.865 1.00 0.00 O ATOM 1571 NE2 GLN A 100 22.366 33.607 -7.417 1.00 0.00 N ATOM 0 H GLN A 100 22.009 28.629 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 100 20.093 29.570 -7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 100 21.827 30.909 -6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.083 30.104 -7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 100 22.197 31.060 -9.545 1.00 0.00 H new ATOM 0 HG3 GLN A 100 20.868 31.803 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 100 21.472 33.474 -6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 100 22.941 34.421 -7.200 1.00 0.00 H new ATOM 1580 N GLU A 101 22.499 27.790 -9.129 1.00 0.00 N ATOM 1581 CA GLU A 101 22.850 27.029 -10.330 1.00 0.00 C ATOM 1582 C GLU A 101 21.780 25.975 -10.668 1.00 0.00 C ATOM 1583 O GLU A 101 21.310 25.923 -11.805 1.00 0.00 O ATOM 1584 CB GLU A 101 24.230 26.381 -10.126 1.00 0.00 C ATOM 1585 CG GLU A 101 24.814 25.736 -11.389 1.00 0.00 C ATOM 1586 CD GLU A 101 25.237 26.784 -12.433 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.277 27.455 -12.231 1.00 0.00 O ATOM 1588 OE2 GLU A 101 24.555 26.921 -13.476 1.00 0.00 O ATOM 0 H GLU A 101 23.194 27.717 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 101 22.894 27.709 -11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 101 24.925 27.139 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.151 25.622 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 101 25.676 25.126 -11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.075 25.066 -11.828 1.00 0.00 H new ATOM 1595 N GLN A 102 21.359 25.154 -9.695 1.00 0.00 N ATOM 1596 CA GLN A 102 20.360 24.109 -9.927 1.00 0.00 C ATOM 1597 C GLN A 102 18.942 24.664 -10.148 1.00 0.00 C ATOM 1598 O GLN A 102 18.214 24.108 -10.963 1.00 0.00 O ATOM 1599 CB GLN A 102 20.360 23.086 -8.777 1.00 0.00 C ATOM 1600 CG GLN A 102 21.650 22.246 -8.695 1.00 0.00 C ATOM 1601 CD GLN A 102 21.854 21.352 -9.921 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.581 21.683 -10.850 1.00 0.00 O ATOM 1603 NE2 GLN A 102 21.209 20.204 -9.990 1.00 0.00 N ATOM 0 H GLN A 102 21.700 25.197 -8.735 1.00 0.00 H new ATOM 0 HA GLN A 102 20.651 23.611 -10.852 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.220 23.613 -7.833 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.508 22.417 -8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.506 22.912 -8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.618 21.625 -7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.600 19.914 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 102 21.319 19.606 -10.809 1.00 0.00 H new ATOM 1612 N VAL A 103 18.542 25.750 -9.473 1.00 0.00 N ATOM 1613 CA VAL A 103 17.230 26.397 -9.683 1.00 0.00 C ATOM 1614 C VAL A 103 17.156 27.048 -11.075 1.00 0.00 C ATOM 1615 O VAL A 103 16.146 26.884 -11.759 1.00 0.00 O ATOM 1616 CB VAL A 103 16.912 27.410 -8.559 1.00 0.00 C ATOM 1617 CG1 VAL A 103 15.713 28.326 -8.873 1.00 0.00 C ATOM 1618 CG2 VAL A 103 16.589 26.660 -7.249 1.00 0.00 C ATOM 0 H VAL A 103 19.115 26.208 -8.765 1.00 0.00 H new ATOM 0 HA VAL A 103 16.464 25.623 -9.640 1.00 0.00 H new ATOM 0 HB VAL A 103 17.802 28.032 -8.466 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.549 29.010 -8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 103 15.920 28.899 -9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 103 14.821 27.718 -9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.366 27.381 -6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.725 26.013 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.447 26.056 -6.955 1.00 0.00 H new ATOM 1628 N GLU A 104 18.218 27.726 -11.534 1.00 0.00 N ATOM 1629 CA GLU A 104 18.299 28.212 -12.914 1.00 0.00 C ATOM 1630 C GLU A 104 18.293 27.051 -13.921 1.00 0.00 C ATOM 1631 O GLU A 104 17.548 27.102 -14.901 1.00 0.00 O ATOM 1632 CB GLU A 104 19.537 29.099 -13.128 1.00 0.00 C ATOM 1633 CG GLU A 104 19.327 30.510 -12.562 1.00 0.00 C ATOM 1634 CD GLU A 104 20.466 31.454 -12.975 1.00 0.00 C ATOM 1635 OE1 GLU A 104 20.488 31.894 -14.150 1.00 0.00 O ATOM 1636 OE2 GLU A 104 21.330 31.786 -12.129 1.00 0.00 O ATOM 0 H GLU A 104 19.034 27.950 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 104 17.411 28.820 -13.089 1.00 0.00 H new ATOM 0 HB2 GLU A 104 20.402 28.639 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.759 29.163 -14.193 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.376 30.908 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.268 30.463 -11.475 1.00 0.00 H new ATOM 1643 N LYS A 105 19.035 25.968 -13.667 1.00 0.00 N ATOM 1644 CA LYS A 105 19.014 24.763 -14.506 1.00 0.00 C ATOM 1645 C LYS A 105 17.609 24.135 -14.573 1.00 0.00 C ATOM 1646 O LYS A 105 17.164 23.771 -15.661 1.00 0.00 O ATOM 1647 CB LYS A 105 20.073 23.773 -13.980 1.00 0.00 C ATOM 1648 CG LYS A 105 20.093 22.394 -14.665 1.00 0.00 C ATOM 1649 CD LYS A 105 20.320 22.473 -16.181 1.00 0.00 C ATOM 1650 CE LYS A 105 20.346 21.061 -16.784 1.00 0.00 C ATOM 1651 NZ LYS A 105 20.269 21.093 -18.269 1.00 0.00 N ATOM 0 H LYS A 105 19.670 25.901 -12.871 1.00 0.00 H new ATOM 0 HA LYS A 105 19.263 25.033 -15.532 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.057 24.228 -14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.909 23.626 -12.913 1.00 0.00 H new ATOM 0 HG2 LYS A 105 20.879 21.785 -14.218 1.00 0.00 H new ATOM 0 HG3 LYS A 105 19.148 21.886 -14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 105 19.528 23.061 -16.645 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.260 22.984 -16.390 1.00 0.00 H new ATOM 0 HE2 LYS A 105 21.260 20.552 -16.478 1.00 0.00 H new ATOM 0 HE3 LYS A 105 19.511 20.482 -16.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.606 20.187 -18.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 19.283 21.249 -18.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 20.864 21.865 -18.631 1.00 0.00 H new ATOM 1665 N ALA A 106 16.879 24.047 -13.456 1.00 0.00 N ATOM 1666 CA ALA A 106 15.510 23.527 -13.417 1.00 0.00 C ATOM 1667 C ALA A 106 14.527 24.370 -14.251 1.00 0.00 C ATOM 1668 O ALA A 106 13.593 23.816 -14.829 1.00 0.00 O ATOM 1669 CB ALA A 106 15.066 23.440 -11.953 1.00 0.00 C ATOM 0 H ALA A 106 17.228 24.339 -12.543 1.00 0.00 H new ATOM 0 HA ALA A 106 15.502 22.536 -13.871 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.048 23.054 -11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.734 22.772 -11.409 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.100 24.432 -11.503 1.00 0.00 H new ATOM 1675 N MET A 107 14.744 25.688 -14.352 1.00 0.00 N ATOM 1676 CA MET A 107 13.978 26.576 -15.238 1.00 0.00 C ATOM 1677 C MET A 107 14.392 26.390 -16.707 1.00 0.00 C ATOM 1678 O MET A 107 13.545 26.079 -17.548 1.00 0.00 O ATOM 1679 CB MET A 107 14.147 28.038 -14.786 1.00 0.00 C ATOM 1680 CG MET A 107 13.496 28.289 -13.419 1.00 0.00 C ATOM 1681 SD MET A 107 13.792 29.954 -12.770 1.00 0.00 S ATOM 1682 CE MET A 107 12.897 29.809 -11.202 1.00 0.00 C ATOM 0 H MET A 107 15.463 26.173 -13.816 1.00 0.00 H new ATOM 0 HA MET A 107 12.923 26.313 -15.169 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.208 28.282 -14.734 1.00 0.00 H new ATOM 0 HB3 MET A 107 13.703 28.702 -15.528 1.00 0.00 H new ATOM 0 HG2 MET A 107 12.421 28.126 -13.502 1.00 0.00 H new ATOM 0 HG3 MET A 107 13.875 27.557 -12.706 1.00 0.00 H new ATOM 0 HE1 MET A 107 12.967 30.749 -10.655 1.00 0.00 H new ATOM 0 HE2 MET A 107 11.850 29.582 -11.401 1.00 0.00 H new ATOM 0 HE3 MET A 107 13.335 29.008 -10.606 1.00 0.00 H new ATOM 1692 N CYS A 108 15.690 26.516 -17.014 1.00 0.00 N ATOM 1693 CA CYS A 108 16.240 26.417 -18.377 1.00 0.00 C ATOM 1694 C CYS A 108 15.971 25.048 -19.040 1.00 0.00 C ATOM 1695 O CYS A 108 15.775 24.984 -20.259 1.00 0.00 O ATOM 1696 CB CYS A 108 17.748 26.712 -18.331 1.00 0.00 C ATOM 1697 SG CYS A 108 18.059 28.398 -17.727 1.00 0.00 S ATOM 0 H CYS A 108 16.404 26.694 -16.308 1.00 0.00 H new ATOM 0 HA CYS A 108 15.730 27.155 -18.996 1.00 0.00 H new ATOM 0 HB2 CYS A 108 18.244 25.991 -17.681 1.00 0.00 H new ATOM 0 HB3 CYS A 108 18.177 26.593 -19.326 1.00 0.00 H new ATOM 0 HG CYS A 108 17.934 28.426 -16.433 1.00 0.00 H new ATOM 1703 N SER A 109 15.923 23.982 -18.228 1.00 0.00 N ATOM 1704 CA SER A 109 15.514 22.602 -18.564 1.00 0.00 C ATOM 1705 C SER A 109 16.502 21.910 -19.527 1.00 0.00 C ATOM 1706 O SER A 109 16.093 21.432 -20.613 1.00 0.00 O ATOM 1707 CB SER A 109 14.066 22.569 -19.081 1.00 0.00 C ATOM 1708 OG SER A 109 13.202 23.199 -18.148 1.00 0.00 O ATOM 1709 OXT SER A 109 17.701 21.812 -19.170 1.00 0.00 O ATOM 0 H SER A 109 16.188 24.063 -17.246 1.00 0.00 H new ATOM 0 HA SER A 109 15.545 22.019 -17.643 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.004 23.074 -20.045 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.752 21.538 -19.241 1.00 0.00 H new ATOM 0 HG SER A 109 13.405 24.157 -18.109 1.00 0.00 H new