USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 565 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 67 GLN : amide:sc= -3.53! C(o=-4.8!,f=-5.9!) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= -1.29! USER MOD Set 2.1: A 7 CYS SG : rot -21:sc= -1.71 USER MOD Set 2.2: A 12 CYS SG : rot 117:sc= -6.8! USER MOD Set 2.3: A 62 CYS SG : rot -178:sc= -3.19! USER MOD Set 2.4: A 65 HIS : no HD1:sc= -16.7! C(o=-28!,f=-30!) USER MOD Set 3.1: A 54 GLN : amide:sc= -4.03 K(o=-6.2,f=-13!) USER MOD Set 3.2: A 56 THR OG1 : rot 140:sc= -2.17 USER MOD Set 4.1: A 17 HIS :FLIP no HD1:sc= -2.07! C(o=-3.7!,f=-2.1!) USER MOD Set 4.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 113:sc= -0.0326 USER MOD Single : A 8 CYS SG : rot -33:sc= 0.409 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -8.31! C(o=-8.3!,f=-10!) USER MOD Single : A 15 ASN : amide:sc= -11.2! C(o=-11!,f=-24!) USER MOD Single : A 16 SER OG : rot 122:sc= -6.52! USER MOD Single : A 23 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.01) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.41! C(o=-3.4!,f=-7.1!) USER MOD Single : A 42 SER OG : rot 111:sc= -2.47! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -7.87! C(o=-12!,f=-7.9!) USER MOD Single : A 63 SER OG : rot 170:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 148:sc= 1.31 (180deg=-0.739!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.857 USER MOD ----------------------------------------------------------------- ATOM 35 N GLY A 4 3.397 12.664 0.847 1.00 0.00 N ATOM 36 CA GLY A 4 2.595 11.548 0.379 1.00 0.00 C ATOM 37 C GLY A 4 3.431 10.484 -0.336 1.00 0.00 C ATOM 38 O GLY A 4 4.647 10.638 -0.451 1.00 0.00 O ATOM 0 HA2 GLY A 4 2.082 11.093 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.826 11.917 -0.299 1.00 0.00 H new ATOM 42 N PHE A 5 2.798 9.395 -0.819 1.00 0.00 N ATOM 43 CA PHE A 5 3.554 8.333 -1.508 1.00 0.00 C ATOM 44 C PHE A 5 2.731 7.510 -2.546 1.00 0.00 C ATOM 45 O PHE A 5 3.264 6.582 -3.153 1.00 0.00 O ATOM 46 CB PHE A 5 4.181 7.385 -0.471 1.00 0.00 C ATOM 47 CG PHE A 5 4.178 7.902 0.944 1.00 0.00 C ATOM 48 CD1 PHE A 5 5.174 8.762 1.380 1.00 0.00 C ATOM 49 CD2 PHE A 5 3.187 7.526 1.839 1.00 0.00 C ATOM 50 CE1 PHE A 5 5.181 9.236 2.677 1.00 0.00 C ATOM 51 CE2 PHE A 5 3.191 7.996 3.139 1.00 0.00 C ATOM 52 CZ PHE A 5 4.190 8.852 3.559 1.00 0.00 C ATOM 0 H PHE A 5 1.794 9.231 -0.748 1.00 0.00 H new ATOM 0 HA PHE A 5 4.322 8.847 -2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.645 6.436 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.210 7.178 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.954 9.065 0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.402 6.858 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.962 9.907 3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.414 7.694 3.825 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.196 9.220 4.574 1.00 0.00 H new ATOM 62 N THR A 6 1.453 7.848 -2.754 1.00 0.00 N ATOM 63 CA THR A 6 0.578 7.140 -3.726 1.00 0.00 C ATOM 64 C THR A 6 0.417 5.634 -3.409 1.00 0.00 C ATOM 65 O THR A 6 1.376 4.871 -3.510 1.00 0.00 O ATOM 66 CB THR A 6 1.126 7.308 -5.143 1.00 0.00 C ATOM 67 OG1 THR A 6 1.471 8.660 -5.390 1.00 0.00 O ATOM 68 CG2 THR A 6 0.153 6.878 -6.218 1.00 0.00 C ATOM 0 H THR A 6 0.989 8.612 -2.263 1.00 0.00 H new ATOM 0 HA THR A 6 -0.410 7.594 -3.646 1.00 0.00 H new ATOM 0 HB THR A 6 2.002 6.661 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.442 8.735 -5.500 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.606 7.024 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.093 5.825 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.756 7.475 -6.146 1.00 0.00 H new ATOM 76 N CYS A 7 -0.817 5.212 -3.030 1.00 0.00 N ATOM 77 CA CYS A 7 -1.091 3.798 -2.714 1.00 0.00 C ATOM 78 C CYS A 7 -1.425 3.073 -3.995 1.00 0.00 C ATOM 79 O CYS A 7 -1.896 1.938 -3.967 1.00 0.00 O ATOM 80 CB CYS A 7 -2.281 3.599 -1.700 1.00 0.00 C ATOM 81 SG CYS A 7 -3.024 1.919 -1.749 1.00 0.00 S ATOM 0 H CYS A 7 -1.625 5.828 -2.938 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.195 3.399 -2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.923 3.798 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.056 4.335 -1.914 1.00 0.00 H new ATOM 0 HG CYS A 7 -2.739 1.351 -2.883 1.00 0.00 H new ATOM 86 N CYS A 8 -1.245 3.735 -5.135 1.00 0.00 N ATOM 87 CA CYS A 8 -1.629 3.104 -6.370 1.00 0.00 C ATOM 88 C CYS A 8 -3.108 2.781 -6.201 1.00 0.00 C ATOM 89 O CYS A 8 -3.642 1.823 -6.753 1.00 0.00 O ATOM 90 CB CYS A 8 -0.780 1.851 -6.588 1.00 0.00 C ATOM 91 SG CYS A 8 -1.349 0.758 -7.912 1.00 0.00 S ATOM 0 H CYS A 8 -0.850 4.672 -5.219 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.471 3.733 -7.246 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.243 2.158 -6.806 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.751 1.284 -5.657 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.646 0.802 -7.984 1.00 0.00 H new ATOM 97 N VAL A 9 -3.729 3.617 -5.357 1.00 0.00 N ATOM 98 CA VAL A 9 -5.125 3.503 -4.981 1.00 0.00 C ATOM 99 C VAL A 9 -6.021 3.950 -6.122 1.00 0.00 C ATOM 100 O VAL A 9 -6.232 5.144 -6.336 1.00 0.00 O ATOM 101 CB VAL A 9 -5.375 4.375 -3.707 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.612 5.679 -3.803 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.847 4.672 -3.445 1.00 0.00 C ATOM 0 H VAL A 9 -3.256 4.404 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.363 2.462 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.016 3.781 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.796 6.275 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.545 5.471 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.944 6.231 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.941 5.281 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.266 5.212 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.388 3.736 -3.308 1.00 0.00 H new ATOM 113 N PRO A 10 -6.576 2.980 -6.863 1.00 0.00 N ATOM 114 CA PRO A 10 -7.473 3.260 -7.981 1.00 0.00 C ATOM 115 C PRO A 10 -8.816 3.736 -7.473 1.00 0.00 C ATOM 116 O PRO A 10 -9.490 4.549 -8.105 1.00 0.00 O ATOM 117 CB PRO A 10 -7.614 1.903 -8.668 1.00 0.00 C ATOM 118 CG PRO A 10 -7.402 0.915 -7.576 1.00 0.00 C ATOM 119 CD PRO A 10 -6.375 1.529 -6.666 1.00 0.00 C ATOM 0 HA PRO A 10 -7.100 4.040 -8.645 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.598 1.788 -9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.878 1.781 -9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.331 0.717 -7.041 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.054 -0.039 -7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.531 1.238 -5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.364 1.222 -6.934 1.00 0.00 H new ATOM 127 N GLY A 11 -9.188 3.217 -6.312 1.00 0.00 N ATOM 128 CA GLY A 11 -10.440 3.586 -5.707 1.00 0.00 C ATOM 129 C GLY A 11 -10.634 2.981 -4.333 1.00 0.00 C ATOM 130 O GLY A 11 -11.771 2.854 -3.878 1.00 0.00 O ATOM 0 H GLY A 11 -8.638 2.543 -5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.494 4.672 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.257 3.271 -6.355 1.00 0.00 H new ATOM 134 N CYS A 12 -9.543 2.606 -3.648 1.00 0.00 N ATOM 135 CA CYS A 12 -9.697 2.033 -2.319 1.00 0.00 C ATOM 136 C CYS A 12 -10.296 3.087 -1.369 1.00 0.00 C ATOM 137 O CYS A 12 -11.312 3.696 -1.702 1.00 0.00 O ATOM 138 CB CYS A 12 -8.404 1.371 -1.746 1.00 0.00 C ATOM 139 SG CYS A 12 -6.809 1.755 -2.535 1.00 0.00 S ATOM 0 H CYS A 12 -8.583 2.688 -3.983 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.392 1.198 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.328 1.647 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.541 0.290 -1.783 1.00 0.00 H new ATOM 0 HG CYS A 12 -6.036 2.356 -1.680 1.00 0.00 H new ATOM 144 N TYR A 13 -9.723 3.283 -0.181 1.00 0.00 N ATOM 145 CA TYR A 13 -10.287 4.235 0.770 1.00 0.00 C ATOM 146 C TYR A 13 -9.565 5.574 0.744 1.00 0.00 C ATOM 147 O TYR A 13 -10.164 6.638 0.594 1.00 0.00 O ATOM 148 CB TYR A 13 -10.244 3.660 2.189 1.00 0.00 C ATOM 149 CG TYR A 13 -11.178 4.365 3.164 1.00 0.00 C ATOM 150 CD1 TYR A 13 -11.918 5.480 2.777 1.00 0.00 C ATOM 151 CD2 TYR A 13 -11.322 3.914 4.472 1.00 0.00 C ATOM 152 CE1 TYR A 13 -12.766 6.118 3.662 1.00 0.00 C ATOM 153 CE2 TYR A 13 -12.170 4.548 5.359 1.00 0.00 C ATOM 154 CZ TYR A 13 -12.889 5.649 4.950 1.00 0.00 C ATOM 155 OH TYR A 13 -13.733 6.282 5.832 1.00 0.00 O ATOM 0 H TYR A 13 -8.882 2.803 0.140 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.321 4.407 0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.504 2.602 2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.223 3.724 2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.827 5.852 1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.760 3.052 4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.331 6.982 3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.269 4.181 6.370 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.704 5.824 6.698 1.00 0.00 H new ATOM 165 N ASN A 14 -8.279 5.482 0.967 1.00 0.00 N ATOM 166 CA ASN A 14 -7.383 6.617 1.071 1.00 0.00 C ATOM 167 C ASN A 14 -6.221 6.518 0.069 1.00 0.00 C ATOM 168 O ASN A 14 -5.915 5.428 -0.389 1.00 0.00 O ATOM 169 CB ASN A 14 -6.835 6.708 2.474 1.00 0.00 C ATOM 170 CG ASN A 14 -7.316 5.585 3.376 1.00 0.00 C ATOM 171 OD1 ASN A 14 -6.523 4.776 3.858 1.00 0.00 O ATOM 172 ND2 ASN A 14 -8.623 5.532 3.607 1.00 0.00 N ATOM 0 H ASN A 14 -7.806 4.586 1.086 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.954 7.515 0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.746 6.692 2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.124 7.665 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.006 4.800 4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.244 6.224 3.187 1.00 0.00 H new ATOM 179 N ASN A 15 -5.570 7.629 -0.309 1.00 0.00 N ATOM 180 CA ASN A 15 -4.473 7.516 -1.263 1.00 0.00 C ATOM 181 C ASN A 15 -3.118 7.744 -0.526 1.00 0.00 C ATOM 182 O ASN A 15 -3.110 8.393 0.519 1.00 0.00 O ATOM 183 CB ASN A 15 -4.645 8.545 -2.384 1.00 0.00 C ATOM 184 CG ASN A 15 -3.569 8.447 -3.450 1.00 0.00 C ATOM 185 OD1 ASN A 15 -2.376 8.500 -3.153 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.989 8.308 -4.701 1.00 0.00 N ATOM 0 H ASN A 15 -5.776 8.573 0.018 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.478 6.519 -1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.622 8.409 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.633 9.547 -1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.313 8.241 -5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.988 8.269 -4.902 1.00 0.00 H new ATOM 193 N SER A 16 -1.977 7.188 -1.024 1.00 0.00 N ATOM 194 CA SER A 16 -0.707 7.333 -0.348 1.00 0.00 C ATOM 195 C SER A 16 -0.149 8.769 -0.491 1.00 0.00 C ATOM 196 O SER A 16 0.541 9.245 0.410 1.00 0.00 O ATOM 197 CB SER A 16 0.287 6.256 -0.883 1.00 0.00 C ATOM 198 OG SER A 16 1.606 6.486 -0.429 1.00 0.00 O ATOM 0 H SER A 16 -1.937 6.644 -1.886 1.00 0.00 H new ATOM 0 HA SER A 16 -0.848 7.170 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.041 5.267 -0.561 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.272 6.258 -1.973 1.00 0.00 H new ATOM 0 HG SER A 16 1.924 5.701 0.064 1.00 0.00 H new ATOM 204 N HIS A 17 -0.429 9.468 -1.618 1.00 0.00 N ATOM 205 CA HIS A 17 0.081 10.834 -1.819 1.00 0.00 C ATOM 206 C HIS A 17 -0.981 11.769 -2.404 1.00 0.00 C ATOM 207 O HIS A 17 -0.691 12.563 -3.298 1.00 0.00 O ATOM 208 CB HIS A 17 1.316 10.839 -2.744 1.00 0.00 C ATOM 209 CG HIS A 17 1.930 12.195 -2.927 1.00 0.00 C ATOM 210 ND1 HIS A 17 1.703 13.366 -2.285 1.00 0.00 N flip ATOM 211 CD2 HIS A 17 2.902 12.459 -3.867 1.00 0.00 C flip ATOM 212 CE1 HIS A 17 2.536 14.304 -2.844 1.00 0.00 C flip ATOM 213 NE2 HIS A 17 3.249 13.732 -3.795 1.00 0.00 N flip ATOM 0 H HIS A 17 -0.996 9.110 -2.386 1.00 0.00 H new ATOM 0 HA HIS A 17 0.361 11.201 -0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.067 10.163 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.029 10.446 -3.719 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.316 11.738 -4.556 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.597 15.342 -2.552 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.949 14.194 -4.376 1.00 0.00 H new ATOM 222 N ARG A 18 -2.204 11.691 -1.896 1.00 0.00 N ATOM 223 CA ARG A 18 -3.274 12.558 -2.383 1.00 0.00 C ATOM 224 C ARG A 18 -4.259 12.908 -1.269 1.00 0.00 C ATOM 225 O ARG A 18 -5.352 13.403 -1.540 1.00 0.00 O ATOM 226 CB ARG A 18 -4.020 11.900 -3.559 1.00 0.00 C ATOM 227 CG ARG A 18 -3.109 11.181 -4.542 1.00 0.00 C ATOM 228 CD ARG A 18 -2.342 12.162 -5.418 1.00 0.00 C ATOM 229 NE ARG A 18 -2.777 12.110 -6.813 1.00 0.00 N ATOM 230 CZ ARG A 18 -3.738 12.879 -7.325 1.00 0.00 C ATOM 231 NH1 ARG A 18 -4.375 13.761 -6.564 1.00 0.00 N ATOM 232 NH2 ARG A 18 -4.063 12.766 -8.605 1.00 0.00 N ATOM 0 H ARG A 18 -2.480 11.045 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.811 13.481 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.745 11.189 -3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.583 12.665 -4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.405 10.554 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.703 10.518 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.478 13.173 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.276 11.940 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.316 11.444 -7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.130 13.855 -5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.109 14.345 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.578 12.091 -9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.798 13.354 -8.998 1.00 0.00 H new ATOM 246 N ASP A 19 -3.871 12.652 -0.012 1.00 0.00 N ATOM 247 CA ASP A 19 -4.734 12.939 1.137 1.00 0.00 C ATOM 248 C ASP A 19 -3.952 12.912 2.444 1.00 0.00 C ATOM 249 O ASP A 19 -3.715 13.951 3.060 1.00 0.00 O ATOM 250 CB ASP A 19 -5.892 11.945 1.213 1.00 0.00 C ATOM 251 CG ASP A 19 -6.516 11.625 -0.132 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.396 12.393 -0.576 1.00 0.00 O ATOM 253 OD2 ASP A 19 -6.125 10.608 -0.740 1.00 0.00 O ATOM 0 H ASP A 19 -2.967 12.248 0.232 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.134 13.943 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.535 11.020 1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.661 12.347 1.873 1.00 0.00 H new ATOM 258 N LYS A 20 -3.562 11.720 2.860 1.00 0.00 N ATOM 259 CA LYS A 20 -2.810 11.535 4.096 1.00 0.00 C ATOM 260 C LYS A 20 -3.653 11.853 5.337 1.00 0.00 C ATOM 261 O LYS A 20 -3.112 11.980 6.435 1.00 0.00 O ATOM 262 CB LYS A 20 -1.555 12.412 4.083 1.00 0.00 C ATOM 263 CG LYS A 20 -0.735 12.285 2.807 1.00 0.00 C ATOM 264 CD LYS A 20 -0.396 13.647 2.215 1.00 0.00 C ATOM 265 CE LYS A 20 -1.102 13.871 0.887 1.00 0.00 C ATOM 266 NZ LYS A 20 -0.643 15.119 0.218 1.00 0.00 N ATOM 0 H LYS A 20 -3.755 10.855 2.356 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.525 10.484 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.849 13.454 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.929 12.148 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.186 11.741 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.290 11.698 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.682 14.431 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.682 13.724 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.920 13.020 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.178 13.922 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.148 15.235 -0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.839 15.935 0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.379 15.060 0.037 1.00 0.00 H new ATOM 280 N ALA A 21 -4.972 11.984 5.169 1.00 0.00 N ATOM 281 CA ALA A 21 -5.849 12.286 6.305 1.00 0.00 C ATOM 282 C ALA A 21 -6.706 11.086 6.768 1.00 0.00 C ATOM 283 O ALA A 21 -7.623 11.263 7.570 1.00 0.00 O ATOM 284 CB ALA A 21 -6.751 13.460 5.956 1.00 0.00 C ATOM 0 H ALA A 21 -5.450 11.888 4.273 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.196 12.536 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.402 13.683 6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.140 14.333 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.359 13.206 5.087 1.00 0.00 H new ATOM 290 N LEU A 22 -6.424 9.872 6.270 1.00 0.00 N ATOM 291 CA LEU A 22 -7.201 8.686 6.658 1.00 0.00 C ATOM 292 C LEU A 22 -6.242 7.667 7.386 1.00 0.00 C ATOM 293 O LEU A 22 -5.319 8.132 8.055 1.00 0.00 O ATOM 294 CB LEU A 22 -7.970 8.142 5.409 1.00 0.00 C ATOM 295 CG LEU A 22 -8.718 9.179 4.553 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.985 9.625 5.264 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.876 10.379 4.200 1.00 0.00 C ATOM 0 H LEU A 22 -5.673 9.687 5.605 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.981 8.912 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.256 7.624 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.691 7.399 5.750 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.969 8.685 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.507 10.359 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.632 8.763 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.725 10.073 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.463 11.071 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.554 10.879 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.002 10.056 3.635 1.00 0.00 H new ATOM 309 N HIS A 23 -6.426 6.314 7.334 1.00 0.00 N ATOM 310 CA HIS A 23 -5.546 5.401 8.060 1.00 0.00 C ATOM 311 C HIS A 23 -4.501 4.752 7.133 1.00 0.00 C ATOM 312 O HIS A 23 -4.777 4.553 5.950 1.00 0.00 O ATOM 313 CB HIS A 23 -6.399 4.295 8.688 1.00 0.00 C ATOM 314 CG HIS A 23 -6.230 4.171 10.169 1.00 0.00 C ATOM 315 ND1 HIS A 23 -7.250 3.792 11.017 1.00 0.00 N ATOM 316 CD2 HIS A 23 -5.147 4.376 10.957 1.00 0.00 C ATOM 317 CE1 HIS A 23 -6.803 3.770 12.260 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.531 4.120 12.251 1.00 0.00 N ATOM 0 H HIS A 23 -7.167 5.857 6.802 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.015 5.974 8.820 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.449 4.488 8.466 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.144 3.343 8.222 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.165 4.683 10.629 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.381 3.510 13.135 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.930 4.189 13.072 1.00 0.00 H new ATOM 327 N PHE A 24 -3.309 4.393 7.655 1.00 0.00 N ATOM 328 CA PHE A 24 -2.299 3.751 6.826 1.00 0.00 C ATOM 329 C PHE A 24 -1.736 2.467 7.492 1.00 0.00 C ATOM 330 O PHE A 24 -1.566 2.436 8.712 1.00 0.00 O ATOM 331 CB PHE A 24 -1.165 4.727 6.513 1.00 0.00 C ATOM 332 CG PHE A 24 -1.616 5.910 5.707 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.272 6.967 6.316 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.393 5.965 4.338 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.697 8.053 5.575 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.816 7.045 3.596 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.468 8.089 4.213 1.00 0.00 C ATOM 0 H PHE A 24 -3.037 4.538 8.627 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.781 3.455 5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.726 5.077 7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.380 4.201 5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.453 6.942 7.380 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.881 5.150 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.207 8.872 6.060 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.637 7.073 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.801 8.936 3.632 1.00 0.00 H new ATOM 347 N TYR A 25 -1.411 1.427 6.699 1.00 0.00 N ATOM 348 CA TYR A 25 -0.835 0.192 7.223 1.00 0.00 C ATOM 349 C TYR A 25 0.684 0.232 6.985 1.00 0.00 C ATOM 350 O TYR A 25 1.129 0.962 6.106 1.00 0.00 O ATOM 351 CB TYR A 25 -1.445 -1.036 6.541 1.00 0.00 C ATOM 352 CG TYR A 25 -2.738 -1.504 7.175 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.835 -0.658 7.266 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.858 -2.792 7.680 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.017 -1.084 7.844 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.037 -3.225 8.259 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.113 -2.368 8.339 1.00 0.00 C ATOM 358 OH TYR A 25 -6.288 -2.794 8.914 1.00 0.00 O ATOM 0 H TYR A 25 -1.542 1.427 5.687 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.051 0.114 8.288 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.628 -0.805 5.492 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.722 -1.851 6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.764 0.348 6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.017 -3.467 7.620 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.862 -0.414 7.908 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.114 -4.230 8.647 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.189 -3.723 9.210 1.00 0.00 H new ATOM 368 N THR A 26 1.496 -0.506 7.754 1.00 0.00 N ATOM 369 CA THR A 26 2.947 -0.441 7.561 1.00 0.00 C ATOM 370 C THR A 26 3.480 -1.685 6.836 1.00 0.00 C ATOM 371 O THR A 26 2.730 -2.619 6.554 1.00 0.00 O ATOM 372 CB THR A 26 3.670 -0.240 8.904 1.00 0.00 C ATOM 373 OG1 THR A 26 4.346 -1.422 9.300 1.00 0.00 O ATOM 374 CG2 THR A 26 2.749 0.160 10.038 1.00 0.00 C ATOM 0 H THR A 26 1.184 -1.136 8.493 1.00 0.00 H new ATOM 0 HA THR A 26 3.153 0.421 6.927 1.00 0.00 H new ATOM 0 HB THR A 26 4.370 0.575 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.799 -1.269 10.155 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.330 0.283 10.952 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.256 1.100 9.792 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.998 -0.616 10.187 1.00 0.00 H new ATOM 382 N PHE A 27 4.768 -1.648 6.470 1.00 0.00 N ATOM 383 CA PHE A 27 5.390 -2.720 5.700 1.00 0.00 C ATOM 384 C PHE A 27 5.898 -3.911 6.543 1.00 0.00 C ATOM 385 O PHE A 27 6.619 -3.700 7.517 1.00 0.00 O ATOM 386 CB PHE A 27 6.577 -2.123 4.953 1.00 0.00 C ATOM 387 CG PHE A 27 6.521 -2.185 3.449 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.363 -2.538 2.780 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.649 -1.878 2.698 1.00 0.00 C ATOM 390 CE1 PHE A 27 5.332 -2.590 1.405 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.620 -1.930 1.322 1.00 0.00 C ATOM 392 CZ PHE A 27 6.459 -2.289 0.674 1.00 0.00 C ATOM 0 H PHE A 27 5.398 -0.880 6.699 1.00 0.00 H new ATOM 0 HA PHE A 27 4.620 -3.122 5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.677 -1.079 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.481 -2.635 5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.473 -2.776 3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.562 -1.594 3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.420 -2.868 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.506 -1.690 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.433 -2.334 -0.405 1.00 0.00 H new ATOM 402 N PRO A 28 5.541 -5.186 6.193 1.00 0.00 N ATOM 403 CA PRO A 28 5.997 -6.372 6.949 1.00 0.00 C ATOM 404 C PRO A 28 7.489 -6.283 7.331 1.00 0.00 C ATOM 405 O PRO A 28 8.186 -5.368 6.894 1.00 0.00 O ATOM 406 CB PRO A 28 5.797 -7.485 5.903 1.00 0.00 C ATOM 407 CG PRO A 28 4.541 -7.084 5.229 1.00 0.00 C ATOM 408 CD PRO A 28 4.613 -5.584 5.098 1.00 0.00 C ATOM 0 HA PRO A 28 5.468 -6.509 7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.632 -7.537 5.204 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.710 -8.466 6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.451 -7.559 4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.670 -7.385 5.811 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.992 -5.284 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.632 -5.123 5.215 1.00 0.00 H new ATOM 416 N LYS A 29 7.979 -7.220 8.158 1.00 0.00 N ATOM 417 CA LYS A 29 9.382 -7.196 8.587 1.00 0.00 C ATOM 418 C LYS A 29 10.286 -7.901 7.582 1.00 0.00 C ATOM 419 O LYS A 29 11.494 -7.669 7.550 1.00 0.00 O ATOM 420 CB LYS A 29 9.553 -7.839 9.975 1.00 0.00 C ATOM 421 CG LYS A 29 8.325 -8.575 10.490 1.00 0.00 C ATOM 422 CD LYS A 29 8.604 -9.264 11.817 1.00 0.00 C ATOM 423 CE LYS A 29 9.633 -10.373 11.662 1.00 0.00 C ATOM 424 NZ LYS A 29 9.747 -11.200 12.896 1.00 0.00 N ATOM 0 H LYS A 29 7.432 -7.993 8.537 1.00 0.00 H new ATOM 0 HA LYS A 29 9.677 -6.148 8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.389 -8.538 9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.820 -7.061 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.501 -7.871 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.008 -9.314 9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.963 -8.532 12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.678 -9.678 12.215 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.357 -11.010 10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.604 -9.937 11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.458 -11.945 12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.035 -10.597 13.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.827 -11.636 13.108 1.00 0.00 H new ATOM 438 N ASP A 30 9.696 -8.755 6.762 1.00 0.00 N ATOM 439 CA ASP A 30 10.449 -9.491 5.750 1.00 0.00 C ATOM 440 C ASP A 30 10.646 -8.606 4.513 1.00 0.00 C ATOM 441 O ASP A 30 9.673 -8.235 3.858 1.00 0.00 O ATOM 442 CB ASP A 30 9.697 -10.780 5.358 1.00 0.00 C ATOM 443 CG ASP A 30 8.451 -11.033 6.191 1.00 0.00 C ATOM 444 OD1 ASP A 30 7.536 -10.183 6.163 1.00 0.00 O ATOM 445 OD2 ASP A 30 8.391 -12.081 6.867 1.00 0.00 O ATOM 0 H ASP A 30 8.697 -8.959 6.774 1.00 0.00 H new ATOM 0 HA ASP A 30 11.422 -9.764 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.416 -10.721 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.372 -11.630 5.461 1.00 0.00 H new ATOM 450 N ALA A 31 11.900 -8.246 4.207 1.00 0.00 N ATOM 451 CA ALA A 31 12.184 -7.386 3.069 1.00 0.00 C ATOM 452 C ALA A 31 11.377 -7.776 1.794 1.00 0.00 C ATOM 453 O ALA A 31 10.509 -7.029 1.369 1.00 0.00 O ATOM 454 CB ALA A 31 13.700 -7.325 2.832 1.00 0.00 C ATOM 0 H ALA A 31 12.723 -8.539 4.733 1.00 0.00 H new ATOM 0 HA ALA A 31 11.840 -6.380 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.909 -6.680 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.191 -6.924 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.077 -8.327 2.630 1.00 0.00 H new ATOM 460 N GLU A 32 11.629 -8.934 1.176 1.00 0.00 N ATOM 461 CA GLU A 32 10.887 -9.313 -0.045 1.00 0.00 C ATOM 462 C GLU A 32 9.399 -9.154 0.077 1.00 0.00 C ATOM 463 O GLU A 32 8.848 -8.334 -0.657 1.00 0.00 O ATOM 464 CB GLU A 32 11.272 -10.729 -0.501 1.00 0.00 C ATOM 465 CG GLU A 32 10.364 -11.324 -1.572 1.00 0.00 C ATOM 466 CD GLU A 32 9.081 -11.895 -1.001 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.092 -12.324 0.171 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.065 -11.914 -1.727 1.00 0.00 O ATOM 0 H GLU A 32 12.322 -9.615 1.486 1.00 0.00 H new ATOM 0 HA GLU A 32 11.189 -8.606 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.293 -10.708 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.268 -11.389 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.120 -10.554 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.902 -12.110 -2.103 1.00 0.00 H new ATOM 475 N LEU A 33 8.710 -9.882 0.958 1.00 0.00 N ATOM 476 CA LEU A 33 7.283 -9.684 1.036 1.00 0.00 C ATOM 477 C LEU A 33 6.972 -8.199 0.830 1.00 0.00 C ATOM 478 O LEU A 33 6.046 -7.812 0.118 1.00 0.00 O ATOM 479 CB LEU A 33 6.740 -10.149 2.400 1.00 0.00 C ATOM 480 CG LEU A 33 5.244 -10.461 2.451 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.591 -10.307 1.091 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.010 -11.859 2.962 1.00 0.00 C ATOM 0 H LEU A 33 9.102 -10.577 1.593 1.00 0.00 H new ATOM 0 HA LEU A 33 6.800 -10.276 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.288 -11.041 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.956 -9.376 3.138 1.00 0.00 H new ATOM 0 HG LEU A 33 4.791 -9.742 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.529 -10.537 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.715 -9.282 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.059 -10.991 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.939 -12.061 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.497 -12.575 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.424 -11.954 3.966 1.00 0.00 H new ATOM 494 N ARG A 34 7.830 -7.379 1.412 1.00 0.00 N ATOM 495 CA ARG A 34 7.705 -5.922 1.321 1.00 0.00 C ATOM 496 C ARG A 34 7.737 -5.467 -0.102 1.00 0.00 C ATOM 497 O ARG A 34 6.779 -4.853 -0.589 1.00 0.00 O ATOM 498 CB ARG A 34 8.766 -5.178 2.188 1.00 0.00 C ATOM 499 CG ARG A 34 10.086 -4.805 1.505 1.00 0.00 C ATOM 500 CD ARG A 34 10.298 -3.303 1.447 1.00 0.00 C ATOM 501 NE ARG A 34 11.706 -2.947 1.594 1.00 0.00 N ATOM 502 CZ ARG A 34 12.190 -1.726 1.383 1.00 0.00 C ATOM 503 NH1 ARG A 34 11.383 -0.740 1.009 1.00 0.00 N ATOM 504 NH2 ARG A 34 13.485 -1.488 1.546 1.00 0.00 N ATOM 0 H ARG A 34 8.631 -7.695 1.959 1.00 0.00 H new ATOM 0 HA ARG A 34 6.731 -5.659 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.311 -4.263 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.996 -5.802 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.914 -5.266 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.097 -5.211 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.924 -2.920 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.718 -2.824 2.235 1.00 0.00 H new ATOM 0 HE ARG A 34 12.358 -3.679 1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.386 -0.917 0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.760 0.194 0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.110 -2.241 1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.856 -0.552 1.384 1.00 0.00 H new ATOM 518 N ARG A 35 8.805 -5.798 -0.790 1.00 0.00 N ATOM 519 CA ARG A 35 8.914 -5.410 -2.160 1.00 0.00 C ATOM 520 C ARG A 35 7.708 -5.908 -2.910 1.00 0.00 C ATOM 521 O ARG A 35 7.190 -5.210 -3.779 1.00 0.00 O ATOM 522 CB ARG A 35 10.250 -5.862 -2.798 1.00 0.00 C ATOM 523 CG ARG A 35 10.338 -7.321 -3.239 1.00 0.00 C ATOM 524 CD ARG A 35 9.439 -7.615 -4.432 1.00 0.00 C ATOM 525 NE ARG A 35 10.157 -8.313 -5.498 1.00 0.00 N ATOM 526 CZ ARG A 35 10.247 -9.638 -5.591 1.00 0.00 C ATOM 527 NH1 ARG A 35 9.670 -10.419 -4.686 1.00 0.00 N ATOM 528 NH2 ARG A 35 10.918 -10.185 -6.596 1.00 0.00 N ATOM 0 H ARG A 35 9.596 -6.328 -0.422 1.00 0.00 H new ATOM 0 HA ARG A 35 8.932 -4.322 -2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.444 -5.232 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.050 -5.674 -2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.370 -7.560 -3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.059 -7.968 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.592 -8.220 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.033 -6.681 -4.819 1.00 0.00 H new ATOM 0 HE ARG A 35 10.617 -7.750 -6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.152 -10.005 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.744 -11.433 -4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.363 -9.591 -7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.989 -11.200 -6.670 1.00 0.00 H new ATOM 542 N LEU A 36 7.174 -7.072 -2.525 1.00 0.00 N ATOM 543 CA LEU A 36 5.973 -7.543 -3.221 1.00 0.00 C ATOM 544 C LEU A 36 4.889 -6.514 -3.112 1.00 0.00 C ATOM 545 O LEU A 36 4.302 -6.100 -4.120 1.00 0.00 O ATOM 546 CB LEU A 36 5.493 -8.907 -2.709 1.00 0.00 C ATOM 547 CG LEU A 36 6.225 -10.114 -3.296 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.598 -11.409 -2.802 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.211 -10.059 -4.817 1.00 0.00 C ATOM 0 H LEU A 36 7.528 -7.674 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 36 6.231 -7.684 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.600 -8.929 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.429 -9.006 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 36 7.262 -10.084 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.131 -12.258 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.660 -11.452 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.552 -11.447 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.737 -10.926 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.180 -10.064 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.706 -9.148 -5.153 1.00 0.00 H new ATOM 561 N TRP A 37 4.664 -6.035 -1.914 1.00 0.00 N ATOM 562 CA TRP A 37 3.671 -5.028 -1.726 1.00 0.00 C ATOM 563 C TRP A 37 4.005 -3.820 -2.560 1.00 0.00 C ATOM 564 O TRP A 37 3.108 -3.266 -3.218 1.00 0.00 O ATOM 565 CB TRP A 37 3.588 -4.651 -0.262 1.00 0.00 C ATOM 566 CG TRP A 37 2.774 -5.612 0.517 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.660 -6.942 0.286 1.00 0.00 C ATOM 568 CD2 TRP A 37 1.934 -5.304 1.618 1.00 0.00 C ATOM 569 NE1 TRP A 37 1.811 -7.509 1.224 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.332 -6.503 2.043 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.642 -4.121 2.286 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.433 -6.530 3.120 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.761 -4.150 3.331 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.164 -5.334 3.740 1.00 0.00 C ATOM 0 H TRP A 37 5.153 -6.327 -1.068 1.00 0.00 H new ATOM 0 HA TRP A 37 2.702 -5.416 -2.042 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.593 -4.605 0.157 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.158 -3.654 -0.169 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.156 -7.479 -0.509 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.579 -8.500 1.297 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.104 -3.193 1.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.027 -7.451 3.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.525 -3.232 3.849 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.530 -5.315 4.567 1.00 0.00 H new ATOM 585 N LEU A 38 5.311 -3.440 -2.594 1.00 0.00 N ATOM 586 CA LEU A 38 5.710 -2.303 -3.387 1.00 0.00 C ATOM 587 C LEU A 38 4.851 -2.312 -4.652 1.00 0.00 C ATOM 588 O LEU A 38 4.137 -1.345 -4.949 1.00 0.00 O ATOM 589 CB LEU A 38 7.213 -2.360 -3.721 1.00 0.00 C ATOM 590 CG LEU A 38 8.136 -2.001 -2.553 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.573 -1.870 -3.032 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.683 -0.710 -1.885 1.00 0.00 C ATOM 0 H LEU A 38 6.066 -3.904 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 38 5.557 -1.375 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.458 -3.365 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.414 -1.681 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 38 8.084 -2.805 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.216 -1.615 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.900 -2.816 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.635 -1.086 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.353 -0.474 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.703 0.102 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.668 -0.833 -1.506 1.00 0.00 H new ATOM 604 N LYS A 39 4.837 -3.461 -5.352 1.00 0.00 N ATOM 605 CA LYS A 39 4.055 -3.605 -6.544 1.00 0.00 C ATOM 606 C LYS A 39 2.604 -3.114 -6.395 1.00 0.00 C ATOM 607 O LYS A 39 2.196 -2.133 -7.037 1.00 0.00 O ATOM 608 CB LYS A 39 4.127 -5.091 -6.970 1.00 0.00 C ATOM 609 CG LYS A 39 5.199 -5.417 -8.005 1.00 0.00 C ATOM 610 CD LYS A 39 6.394 -4.473 -7.936 1.00 0.00 C ATOM 611 CE LYS A 39 6.335 -3.416 -9.026 1.00 0.00 C ATOM 612 NZ LYS A 39 7.324 -3.676 -10.108 1.00 0.00 N ATOM 0 H LYS A 39 5.368 -4.293 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 39 4.471 -2.963 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.304 -5.699 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.157 -5.386 -7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.542 -6.441 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.761 -5.369 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.420 -3.989 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.317 -5.045 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.332 -3.389 -9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.524 -2.435 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.251 -2.932 -10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.284 -3.677 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.129 -4.601 -10.542 1.00 0.00 H new ATOM 626 N ASN A 40 1.837 -3.783 -5.550 1.00 0.00 N ATOM 627 CA ASN A 40 0.422 -3.456 -5.364 1.00 0.00 C ATOM 628 C ASN A 40 0.186 -2.057 -4.856 1.00 0.00 C ATOM 629 O ASN A 40 -0.881 -1.479 -5.065 1.00 0.00 O ATOM 630 CB ASN A 40 -0.256 -4.431 -4.384 1.00 0.00 C ATOM 631 CG ASN A 40 0.661 -5.471 -3.780 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.603 -5.947 -4.415 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.375 -5.834 -2.540 1.00 0.00 N ATOM 0 H ASN A 40 2.167 -4.560 -4.977 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.013 -3.540 -6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.709 -3.855 -3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.066 -4.941 -4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.946 -6.537 -2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.416 -5.411 -2.054 1.00 0.00 H new ATOM 640 N VAL A 41 1.144 -1.546 -4.136 1.00 0.00 N ATOM 641 CA VAL A 41 0.996 -0.250 -3.531 1.00 0.00 C ATOM 642 C VAL A 41 1.249 0.937 -4.442 1.00 0.00 C ATOM 643 O VAL A 41 0.769 2.020 -4.131 1.00 0.00 O ATOM 644 CB VAL A 41 1.814 -0.105 -2.240 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.990 0.808 -2.463 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.925 0.440 -1.138 1.00 0.00 C ATOM 0 H VAL A 41 2.036 -2.006 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.067 -0.217 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 41 2.193 -1.083 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.560 0.900 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.629 0.394 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.634 1.792 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.505 0.543 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.536 1.414 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.095 -0.246 -0.967 1.00 0.00 H new ATOM 656 N SER A 42 2.022 0.789 -5.524 1.00 0.00 N ATOM 657 CA SER A 42 2.320 1.957 -6.382 1.00 0.00 C ATOM 658 C SER A 42 3.749 1.856 -6.985 1.00 0.00 C ATOM 659 O SER A 42 3.905 1.216 -8.024 1.00 0.00 O ATOM 660 CB SER A 42 2.093 3.320 -5.623 1.00 0.00 C ATOM 661 OG SER A 42 3.059 4.283 -6.006 1.00 0.00 O ATOM 0 H SER A 42 2.442 -0.090 -5.825 1.00 0.00 H new ATOM 0 HA SER A 42 1.613 1.944 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.093 3.698 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.147 3.154 -4.547 1.00 0.00 H new ATOM 0 HG SER A 42 2.626 4.993 -6.525 1.00 0.00 H new ATOM 667 N ARG A 43 4.800 2.465 -6.368 1.00 0.00 N ATOM 668 CA ARG A 43 6.151 2.374 -6.928 1.00 0.00 C ATOM 669 C ARG A 43 6.256 3.126 -8.266 1.00 0.00 C ATOM 670 O ARG A 43 7.019 4.085 -8.381 1.00 0.00 O ATOM 671 CB ARG A 43 6.577 0.898 -7.074 1.00 0.00 C ATOM 672 CG ARG A 43 7.526 0.622 -8.236 1.00 0.00 C ATOM 673 CD ARG A 43 8.548 -0.446 -7.877 1.00 0.00 C ATOM 674 NE ARG A 43 9.628 -0.522 -8.858 1.00 0.00 N ATOM 675 CZ ARG A 43 10.581 0.398 -8.985 1.00 0.00 C ATOM 676 NH1 ARG A 43 10.592 1.466 -8.196 1.00 0.00 N ATOM 677 NH2 ARG A 43 11.524 0.251 -9.904 1.00 0.00 N ATOM 0 H ARG A 43 4.728 3.007 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 43 6.839 2.857 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.055 0.578 -6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.683 0.286 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.954 0.302 -9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.041 1.542 -8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.966 -0.232 -6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.052 -1.414 -7.808 1.00 0.00 H new ATOM 0 HE ARG A 43 9.653 -1.328 -9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.867 1.584 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.325 2.168 -8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.519 -0.567 -10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.255 0.956 -10.002 1.00 0.00 H new ATOM 784 N THR A 52 9.231 10.784 -6.867 1.00 0.00 N ATOM 785 CA THR A 52 8.845 9.404 -7.141 1.00 0.00 C ATOM 786 C THR A 52 8.449 8.674 -5.860 1.00 0.00 C ATOM 787 O THR A 52 8.419 7.445 -5.826 1.00 0.00 O ATOM 788 CB THR A 52 9.988 8.655 -7.836 1.00 0.00 C ATOM 789 OG1 THR A 52 10.943 8.210 -6.891 1.00 0.00 O ATOM 790 CG2 THR A 52 10.715 9.493 -8.868 1.00 0.00 C ATOM 0 HA THR A 52 7.979 9.428 -7.803 1.00 0.00 H new ATOM 0 HB THR A 52 9.515 7.815 -8.344 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.663 7.733 -7.354 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.511 8.902 -9.321 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.013 9.809 -9.640 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.144 10.372 -8.386 1.00 0.00 H new ATOM 798 N PHE A 53 8.146 9.440 -4.809 1.00 0.00 N ATOM 799 CA PHE A 53 7.746 8.876 -3.519 1.00 0.00 C ATOM 800 C PHE A 53 8.551 7.620 -3.168 1.00 0.00 C ATOM 801 O PHE A 53 8.044 6.727 -2.493 1.00 0.00 O ATOM 802 CB PHE A 53 6.248 8.545 -3.525 1.00 0.00 C ATOM 803 CG PHE A 53 5.830 7.651 -4.658 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.243 6.329 -4.709 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.023 8.136 -5.673 1.00 0.00 C ATOM 806 CE1 PHE A 53 5.859 5.509 -5.747 1.00 0.00 C ATOM 807 CE2 PHE A 53 4.635 7.319 -6.718 1.00 0.00 C ATOM 808 CZ PHE A 53 5.053 6.003 -6.755 1.00 0.00 C ATOM 0 H PHE A 53 8.171 10.460 -4.828 1.00 0.00 H new ATOM 0 HA PHE A 53 7.952 9.629 -2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.987 8.066 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.680 9.474 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.874 5.937 -3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.693 9.164 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.188 4.481 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.006 7.709 -7.505 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.751 5.362 -7.570 1.00 0.00 H new ATOM 818 N GLN A 54 9.803 7.560 -3.633 1.00 0.00 N ATOM 819 CA GLN A 54 10.692 6.411 -3.383 1.00 0.00 C ATOM 820 C GLN A 54 10.235 5.574 -2.180 1.00 0.00 C ATOM 821 O GLN A 54 9.928 6.120 -1.121 1.00 0.00 O ATOM 822 CB GLN A 54 12.127 6.896 -3.164 1.00 0.00 C ATOM 823 CG GLN A 54 13.127 6.284 -4.133 1.00 0.00 C ATOM 824 CD GLN A 54 14.056 5.292 -3.463 1.00 0.00 C ATOM 825 OE1 GLN A 54 13.721 4.119 -3.303 1.00 0.00 O ATOM 826 NE2 GLN A 54 15.235 5.761 -3.068 1.00 0.00 N ATOM 0 H GLN A 54 10.231 8.299 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 54 10.649 5.770 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.155 7.981 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.430 6.661 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.588 5.785 -4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.718 7.078 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.471 6.741 -3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.904 5.141 -2.612 1.00 0.00 H new ATOM 835 N PRO A 55 10.187 4.233 -2.324 1.00 0.00 N ATOM 836 CA PRO A 55 9.764 3.346 -1.239 1.00 0.00 C ATOM 837 C PRO A 55 10.749 3.347 -0.080 1.00 0.00 C ATOM 838 O PRO A 55 10.372 3.090 1.063 1.00 0.00 O ATOM 839 CB PRO A 55 9.686 1.957 -1.880 1.00 0.00 C ATOM 840 CG PRO A 55 9.838 2.168 -3.353 1.00 0.00 C ATOM 841 CD PRO A 55 10.542 3.483 -3.537 1.00 0.00 C ATOM 0 HA PRO A 55 8.814 3.668 -0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.472 1.307 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.735 1.476 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.412 1.357 -3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.865 2.179 -3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.620 3.352 -3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.207 3.995 -4.439 1.00 0.00 H new ATOM 849 N THR A 56 12.008 3.658 -0.374 1.00 0.00 N ATOM 850 CA THR A 56 13.036 3.716 0.659 1.00 0.00 C ATOM 851 C THR A 56 12.526 4.547 1.848 1.00 0.00 C ATOM 852 O THR A 56 12.726 4.167 3.001 1.00 0.00 O ATOM 853 CB THR A 56 14.315 4.340 0.100 1.00 0.00 C ATOM 854 OG1 THR A 56 14.011 5.449 -0.727 1.00 0.00 O ATOM 855 CG2 THR A 56 15.145 3.374 -0.716 1.00 0.00 C ATOM 0 H THR A 56 12.339 3.873 -1.314 1.00 0.00 H new ATOM 0 HA THR A 56 13.259 2.703 0.994 1.00 0.00 H new ATOM 0 HB THR A 56 14.893 4.644 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.661 6.165 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.038 3.881 -1.083 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.438 2.529 -0.093 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.559 3.015 -1.562 1.00 0.00 H new ATOM 863 N THR A 57 11.851 5.688 1.566 1.00 0.00 N ATOM 864 CA THR A 57 11.321 6.532 2.627 1.00 0.00 C ATOM 865 C THR A 57 10.411 5.734 3.558 1.00 0.00 C ATOM 866 O THR A 57 10.239 6.090 4.724 1.00 0.00 O ATOM 867 CB THR A 57 10.546 7.706 2.025 1.00 0.00 C ATOM 868 OG1 THR A 57 10.138 8.610 3.038 1.00 0.00 O ATOM 869 CG2 THR A 57 9.306 7.283 1.262 1.00 0.00 C ATOM 0 H THR A 57 11.670 6.029 0.622 1.00 0.00 H new ATOM 0 HA THR A 57 12.160 6.913 3.209 1.00 0.00 H new ATOM 0 HB THR A 57 11.238 8.178 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.646 9.354 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.806 8.165 0.863 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.591 6.625 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.629 6.754 1.933 1.00 0.00 H new ATOM 877 N GLY A 58 9.822 4.656 3.038 1.00 0.00 N ATOM 878 CA GLY A 58 8.935 3.843 3.848 1.00 0.00 C ATOM 879 C GLY A 58 7.498 3.819 3.307 1.00 0.00 C ATOM 880 O GLY A 58 6.666 4.584 3.793 1.00 0.00 O ATOM 0 H GLY A 58 9.944 4.336 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.320 2.824 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.929 4.225 4.869 1.00 0.00 H new ATOM 884 N HIS A 59 7.171 2.971 2.306 1.00 0.00 N ATOM 885 CA HIS A 59 5.809 2.950 1.783 1.00 0.00 C ATOM 886 C HIS A 59 4.888 2.140 2.690 1.00 0.00 C ATOM 887 O HIS A 59 5.215 1.034 3.121 1.00 0.00 O ATOM 888 CB HIS A 59 5.765 2.385 0.351 1.00 0.00 C ATOM 889 CG HIS A 59 5.467 3.419 -0.700 1.00 0.00 C ATOM 890 ND1 HIS A 59 4.505 3.485 -1.669 1.00 0.00 N flip ATOM 891 CD2 HIS A 59 6.214 4.568 -0.837 1.00 0.00 C flip ATOM 892 CE1 HIS A 59 4.703 4.656 -2.351 1.00 0.00 C flip ATOM 893 NE2 HIS A 59 5.733 5.291 -1.830 1.00 0.00 N flip ATOM 0 H HIS A 59 7.816 2.316 1.864 1.00 0.00 H new ATOM 0 HA HIS A 59 5.457 3.981 1.756 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.723 1.917 0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.008 1.602 0.302 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.063 4.836 -0.226 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.109 5.004 -3.183 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.098 6.191 -2.142 1.00 0.00 H new ATOM 902 N ARG A 60 3.731 2.721 2.955 1.00 0.00 N ATOM 903 CA ARG A 60 2.698 2.124 3.792 1.00 0.00 C ATOM 904 C ARG A 60 1.505 1.793 2.879 1.00 0.00 C ATOM 905 O ARG A 60 1.498 2.225 1.726 1.00 0.00 O ATOM 906 CB ARG A 60 2.299 3.129 4.883 1.00 0.00 C ATOM 907 CG ARG A 60 1.535 4.330 4.356 1.00 0.00 C ATOM 908 CD ARG A 60 1.721 5.546 5.248 1.00 0.00 C ATOM 909 NE ARG A 60 1.621 5.208 6.667 1.00 0.00 N ATOM 910 CZ ARG A 60 1.876 6.065 7.654 1.00 0.00 C ATOM 911 NH1 ARG A 60 2.247 7.310 7.380 1.00 0.00 N ATOM 912 NH2 ARG A 60 1.759 5.675 8.916 1.00 0.00 N ATOM 0 H ARG A 60 3.476 3.638 2.589 1.00 0.00 H new ATOM 0 HA ARG A 60 3.048 1.215 4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.688 2.619 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.199 3.476 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.874 4.563 3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.475 4.086 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.695 5.994 5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.969 6.295 5.000 1.00 0.00 H new ATOM 0 HE ARG A 60 1.339 4.260 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.338 7.613 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.441 7.963 8.139 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.474 4.719 9.130 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.954 6.331 9.673 1.00 0.00 H new ATOM 926 N LEU A 61 0.514 1.027 3.344 1.00 0.00 N ATOM 927 CA LEU A 61 -0.619 0.684 2.480 1.00 0.00 C ATOM 928 C LEU A 61 -1.932 1.275 3.060 1.00 0.00 C ATOM 929 O LEU A 61 -1.957 1.623 4.233 1.00 0.00 O ATOM 930 CB LEU A 61 -0.696 -0.843 2.282 1.00 0.00 C ATOM 931 CG LEU A 61 -1.452 -1.339 1.049 1.00 0.00 C ATOM 932 CD1 LEU A 61 -1.639 -0.223 0.076 1.00 0.00 C ATOM 933 CD2 LEU A 61 -0.728 -2.480 0.353 1.00 0.00 C ATOM 0 H LEU A 61 0.471 0.642 4.287 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.474 1.127 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.321 -1.232 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.164 -1.277 3.165 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.418 -1.706 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.179 -0.589 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.210 0.578 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.665 0.158 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.303 -2.799 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.258 -2.144 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.620 -3.317 1.043 1.00 0.00 H new ATOM 945 N CYS A 62 -2.999 1.484 2.245 1.00 0.00 N ATOM 946 CA CYS A 62 -4.204 2.129 2.749 1.00 0.00 C ATOM 947 C CYS A 62 -5.390 1.143 2.994 1.00 0.00 C ATOM 948 O CYS A 62 -5.221 -0.070 2.877 1.00 0.00 O ATOM 949 CB CYS A 62 -4.436 3.413 1.910 1.00 0.00 C ATOM 950 SG CYS A 62 -5.655 3.413 0.595 1.00 0.00 S ATOM 0 H CYS A 62 -3.035 1.216 1.261 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.089 2.476 3.776 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.706 4.209 2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.479 3.688 1.466 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.653 4.569 0.001 1.00 0.00 H new ATOM 955 N SER A 63 -6.516 1.666 3.514 1.00 0.00 N ATOM 956 CA SER A 63 -7.660 0.899 3.998 1.00 0.00 C ATOM 957 C SER A 63 -8.318 -0.180 3.118 1.00 0.00 C ATOM 958 O SER A 63 -7.815 -1.290 2.966 1.00 0.00 O ATOM 959 CB SER A 63 -8.718 1.920 4.486 1.00 0.00 C ATOM 960 OG SER A 63 -8.790 1.941 5.901 1.00 0.00 O ATOM 0 H SER A 63 -6.651 2.673 3.608 1.00 0.00 H new ATOM 0 HA SER A 63 -7.230 0.263 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.466 2.914 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.693 1.664 4.073 1.00 0.00 H new ATOM 0 HG SER A 63 -9.341 2.699 6.189 1.00 0.00 H new ATOM 966 N VAL A 64 -9.530 0.169 2.724 1.00 0.00 N ATOM 967 CA VAL A 64 -10.531 -0.680 2.013 1.00 0.00 C ATOM 968 C VAL A 64 -10.016 -1.659 0.967 1.00 0.00 C ATOM 969 O VAL A 64 -10.588 -1.789 -0.116 1.00 0.00 O ATOM 970 CB VAL A 64 -11.620 0.175 1.369 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.374 0.973 2.423 1.00 0.00 C ATOM 972 CG2 VAL A 64 -11.004 1.077 0.335 1.00 0.00 C ATOM 0 H VAL A 64 -9.886 1.110 2.892 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.910 -1.302 2.824 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.343 -0.475 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.145 1.575 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.838 0.289 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.679 1.627 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.781 1.687 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.267 1.725 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.516 0.473 -0.430 1.00 0.00 H new ATOM 982 N HIS A 65 -8.967 -2.355 1.298 1.00 0.00 N ATOM 983 CA HIS A 65 -8.396 -3.354 0.383 1.00 0.00 C ATOM 984 C HIS A 65 -8.658 -4.796 0.856 1.00 0.00 C ATOM 985 O HIS A 65 -9.292 -5.560 0.132 1.00 0.00 O ATOM 986 CB HIS A 65 -6.904 -3.147 0.184 1.00 0.00 C ATOM 987 CG HIS A 65 -6.468 -1.728 0.178 1.00 0.00 C ATOM 988 ND1 HIS A 65 -7.279 -0.674 0.530 1.00 0.00 N ATOM 989 CD2 HIS A 65 -5.252 -1.207 -0.032 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.577 0.423 0.554 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.338 0.125 0.236 1.00 0.00 N ATOM 0 H HIS A 65 -8.477 -2.264 2.188 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.902 -3.210 -0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.370 -3.673 0.975 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.610 -3.607 -0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.371 -1.742 -0.353 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.950 1.408 0.794 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.563 0.787 0.196 1.00 0.00 H new ATOM 999 N PHE A 66 -8.180 -5.194 2.054 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.394 -6.546 2.526 1.00 0.00 C ATOM 1001 C PHE A 66 -9.887 -6.780 2.755 1.00 0.00 C ATOM 1002 O PHE A 66 -10.660 -5.821 2.739 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.621 -6.786 3.829 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.355 -5.973 3.967 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -6.372 -4.665 4.459 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.140 -6.522 3.606 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -5.197 -3.944 4.578 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -3.971 -5.804 3.726 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.996 -4.519 4.211 1.00 0.00 C ATOM 0 H PHE A 66 -7.653 -4.597 2.691 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.030 -7.245 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.275 -6.561 4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.367 -7.844 3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.309 -4.214 4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.106 -7.531 3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.219 -2.933 4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.032 -6.253 3.438 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.077 -3.959 4.305 1.00 0.00 H new ATOM 1019 N GLN A 67 -10.317 -8.030 2.991 1.00 0.00 N ATOM 1020 CA GLN A 67 -11.725 -8.265 3.235 1.00 0.00 C ATOM 1021 C GLN A 67 -11.963 -8.550 4.762 1.00 0.00 C ATOM 1022 O GLN A 67 -11.685 -9.671 5.185 1.00 0.00 O ATOM 1023 CB GLN A 67 -12.189 -9.484 2.429 1.00 0.00 C ATOM 1024 CG GLN A 67 -11.248 -10.676 2.494 1.00 0.00 C ATOM 1025 CD GLN A 67 -10.823 -11.156 1.120 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -10.783 -10.381 0.165 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -10.507 -12.441 1.013 1.00 0.00 N ATOM 0 H GLN A 67 -9.724 -8.859 3.015 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.287 -7.381 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.170 -9.791 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.311 -9.190 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.363 -10.405 3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.737 -11.492 3.025 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.554 -13.048 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.217 -12.822 0.112 1.00 0.00 H new ATOM 1036 N GLY A 68 -12.494 -7.600 5.594 1.00 0.00 N ATOM 1037 CA GLY A 68 -12.734 -7.890 7.009 1.00 0.00 C ATOM 1038 C GLY A 68 -11.640 -8.717 7.713 1.00 0.00 C ATOM 1039 O GLY A 68 -10.638 -9.089 7.103 1.00 0.00 O ATOM 0 H GLY A 68 -12.751 -6.657 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.849 -6.946 7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.681 -8.423 7.097 1.00 0.00 H new ATOM 1043 N GLY A 69 -11.857 -9.013 9.010 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.921 -9.808 9.804 1.00 0.00 C ATOM 1045 C GLY A 69 -9.479 -9.274 9.863 1.00 0.00 C ATOM 1046 O GLY A 69 -9.121 -8.630 10.848 1.00 0.00 O ATOM 0 H GLY A 69 -12.682 -8.707 9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.305 -9.879 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.898 -10.820 9.400 1.00 0.00 H new ATOM 1050 N ARG A 70 -8.633 -9.539 8.846 1.00 0.00 N ATOM 1051 CA ARG A 70 -7.248 -9.083 8.858 1.00 0.00 C ATOM 1052 C ARG A 70 -6.534 -9.641 7.638 1.00 0.00 C ATOM 1053 O ARG A 70 -5.384 -10.077 7.710 1.00 0.00 O ATOM 1054 CB ARG A 70 -6.532 -9.541 10.134 1.00 0.00 C ATOM 1055 CG ARG A 70 -6.416 -11.052 10.257 1.00 0.00 C ATOM 1056 CD ARG A 70 -6.447 -11.496 11.710 1.00 0.00 C ATOM 1057 NE ARG A 70 -6.379 -12.950 11.839 1.00 0.00 N ATOM 1058 CZ ARG A 70 -7.372 -13.772 11.503 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -8.510 -13.287 11.021 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -7.227 -15.081 11.649 1.00 0.00 N ATOM 0 H ARG A 70 -8.894 -10.066 8.013 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.234 -7.993 8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.533 -9.105 10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.068 -9.154 11.001 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.233 -11.526 9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.488 -11.386 9.793 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.611 -11.045 12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.360 -11.132 12.181 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.521 -13.360 12.208 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.627 -12.280 10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.267 -13.921 10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.355 -15.459 12.019 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.987 -15.710 11.392 1.00 0.00 H new ATOM 1074 N LYS A 71 -7.246 -9.635 6.525 1.00 0.00 N ATOM 1075 CA LYS A 71 -6.737 -10.138 5.264 1.00 0.00 C ATOM 1076 C LYS A 71 -6.288 -11.595 5.362 1.00 0.00 C ATOM 1077 O LYS A 71 -5.245 -11.904 5.931 1.00 0.00 O ATOM 1078 CB LYS A 71 -5.603 -9.240 4.745 1.00 0.00 C ATOM 1079 CG LYS A 71 -4.185 -9.741 5.008 1.00 0.00 C ATOM 1080 CD LYS A 71 -3.235 -8.598 5.320 1.00 0.00 C ATOM 1081 CE LYS A 71 -3.587 -7.929 6.639 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.752 -6.455 6.498 1.00 0.00 N ATOM 0 H LYS A 71 -8.200 -9.278 6.472 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.557 -10.111 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.729 -9.112 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.710 -8.254 5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.196 -10.443 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.824 -10.287 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.213 -8.974 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.271 -7.863 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.509 -8.360 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.805 -8.137 7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.466 -6.119 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.845 -5.984 6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.061 -6.231 5.530 1.00 0.00 H new ATOM 1096 N THR A 72 -7.085 -12.490 4.793 1.00 0.00 N ATOM 1097 CA THR A 72 -6.764 -13.911 4.798 1.00 0.00 C ATOM 1098 C THR A 72 -7.838 -14.727 4.098 1.00 0.00 C ATOM 1099 O THR A 72 -8.830 -14.184 3.610 1.00 0.00 O ATOM 1100 CB THR A 72 -6.559 -14.417 6.224 1.00 0.00 C ATOM 1101 OG1 THR A 72 -7.301 -13.642 7.152 1.00 0.00 O ATOM 1102 CG2 THR A 72 -5.106 -14.391 6.641 1.00 0.00 C ATOM 0 H THR A 72 -7.959 -12.257 4.322 1.00 0.00 H new ATOM 0 HA THR A 72 -5.833 -14.037 4.246 1.00 0.00 H new ATOM 0 HB THR A 72 -6.909 -15.449 6.229 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.154 -13.987 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.014 -14.760 7.662 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.524 -15.025 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.731 -13.369 6.590 1.00 0.00 H new ATOM 1110 N TYR A 73 -7.624 -16.041 4.046 1.00 0.00 N ATOM 1111 CA TYR A 73 -8.559 -16.960 3.402 1.00 0.00 C ATOM 1112 C TYR A 73 -8.412 -16.936 1.879 1.00 0.00 C ATOM 1113 O TYR A 73 -9.075 -17.702 1.179 1.00 0.00 O ATOM 1114 CB TYR A 73 -10.007 -16.630 3.795 1.00 0.00 C ATOM 1115 CG TYR A 73 -10.735 -17.777 4.459 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -10.614 -18.002 5.824 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -11.546 -18.631 3.722 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -11.280 -19.047 6.437 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -12.216 -19.677 4.328 1.00 0.00 C ATOM 1120 CZ TYR A 73 -12.078 -19.880 5.685 1.00 0.00 C ATOM 1121 OH TYR A 73 -12.744 -20.922 6.292 1.00 0.00 O ATOM 0 H TYR A 73 -6.803 -16.495 4.446 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.318 -17.964 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.004 -15.774 4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.557 -16.331 2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.989 -17.350 6.416 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.655 -18.475 2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.175 -19.209 7.500 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.844 -20.332 3.742 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.264 -21.412 5.622 1.00 0.00 H new ATOM 1131 N THR A 74 -7.545 -16.061 1.359 1.00 0.00 N ATOM 1132 CA THR A 74 -7.340 -15.969 -0.088 1.00 0.00 C ATOM 1133 C THR A 74 -6.350 -14.871 -0.461 1.00 0.00 C ATOM 1134 O THR A 74 -5.429 -15.091 -1.248 1.00 0.00 O ATOM 1135 CB THR A 74 -8.667 -15.686 -0.805 1.00 0.00 C ATOM 1136 OG1 THR A 74 -9.707 -15.437 0.124 1.00 0.00 O ATOM 1137 CG2 THR A 74 -9.114 -16.817 -1.705 1.00 0.00 C ATOM 0 H THR A 74 -6.981 -15.415 1.911 1.00 0.00 H new ATOM 0 HA THR A 74 -6.934 -16.930 -0.404 1.00 0.00 H new ATOM 0 HB THR A 74 -8.475 -14.806 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.541 -15.258 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.058 -16.552 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.359 -16.993 -2.471 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.248 -17.722 -1.113 1.00 0.00 H new ATOM 1145 N VAL A 75 -6.581 -13.677 0.067 1.00 0.00 N ATOM 1146 CA VAL A 75 -5.747 -12.524 -0.253 1.00 0.00 C ATOM 1147 C VAL A 75 -4.532 -12.385 0.666 1.00 0.00 C ATOM 1148 O VAL A 75 -4.674 -12.333 1.889 1.00 0.00 O ATOM 1149 CB VAL A 75 -6.542 -11.198 -0.178 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.977 -10.202 -1.171 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -8.032 -11.390 -0.435 1.00 0.00 C ATOM 0 H VAL A 75 -7.340 -13.480 0.720 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.406 -12.708 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.436 -10.819 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.541 -9.271 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.931 -10.008 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.053 -10.610 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.539 -10.428 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.178 -11.811 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.445 -12.069 0.311 1.00 0.00 H new ATOM 1161 N ARG A 76 -3.338 -12.278 0.071 1.00 0.00 N ATOM 1162 CA ARG A 76 -2.116 -12.090 0.845 1.00 0.00 C ATOM 1163 C ARG A 76 -1.581 -10.673 0.630 1.00 0.00 C ATOM 1164 O ARG A 76 -1.185 -9.996 1.579 1.00 0.00 O ATOM 1165 CB ARG A 76 -1.057 -13.126 0.455 1.00 0.00 C ATOM 1166 CG ARG A 76 -1.282 -14.489 1.086 1.00 0.00 C ATOM 1167 CD ARG A 76 0.029 -15.227 1.309 1.00 0.00 C ATOM 1168 NE ARG A 76 0.161 -16.381 0.422 1.00 0.00 N ATOM 1169 CZ ARG A 76 0.527 -16.295 -0.855 1.00 0.00 C ATOM 1170 NH1 ARG A 76 0.805 -15.116 -1.396 1.00 0.00 N ATOM 1171 NH2 ARG A 76 0.619 -17.394 -1.592 1.00 0.00 N ATOM 0 H ARG A 76 -3.197 -12.319 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.348 -12.228 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.048 -13.234 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.074 -12.757 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.799 -14.369 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.931 -15.085 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.863 -14.545 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.088 -15.557 2.346 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.039 -17.306 0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.739 -14.268 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.085 -15.057 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.409 -18.303 -1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.899 -17.330 -2.571 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.591 -10.226 -0.628 1.00 0.00 N ATOM 1186 CA VAL A 77 -1.129 -8.889 -0.984 1.00 0.00 C ATOM 1187 C VAL A 77 -2.334 -8.004 -1.345 1.00 0.00 C ATOM 1188 O VAL A 77 -3.159 -8.401 -2.165 1.00 0.00 O ATOM 1189 CB VAL A 77 -0.118 -8.956 -2.172 1.00 0.00 C ATOM 1190 CG1 VAL A 77 0.624 -10.285 -2.169 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.810 -8.746 -3.510 1.00 0.00 C ATOM 0 H VAL A 77 -1.918 -10.778 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.614 -8.452 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 77 0.600 -8.148 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.324 -10.313 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.172 -10.394 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.091 -11.101 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.074 -8.799 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.563 -9.521 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.289 -7.767 -3.522 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.474 -6.812 -0.716 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.602 -5.889 -0.955 1.00 0.00 C ATOM 1203 C PRO A 78 -3.915 -5.528 -2.368 1.00 0.00 C ATOM 1204 O PRO A 78 -4.049 -4.334 -2.653 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.133 -4.629 -0.249 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.443 -5.174 0.925 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.580 -6.238 0.329 1.00 0.00 C ATOM 0 HA PRO A 78 -4.521 -6.365 -0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.466 -4.035 -0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.966 -3.984 0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.854 -4.414 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.143 -5.581 1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.664 -5.829 -0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.283 -6.984 1.067 1.00 0.00 H new ATOM 1215 N THR A 79 -4.145 -6.473 -3.264 1.00 0.00 N ATOM 1216 CA THR A 79 -4.551 -5.985 -4.539 1.00 0.00 C ATOM 1217 C THR A 79 -6.033 -6.263 -4.719 1.00 0.00 C ATOM 1218 O THR A 79 -6.450 -7.380 -5.025 1.00 0.00 O ATOM 1219 CB THR A 79 -3.736 -6.678 -5.646 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.995 -7.762 -5.114 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.754 -5.756 -6.332 1.00 0.00 C ATOM 0 H THR A 79 -4.065 -7.482 -3.142 1.00 0.00 H new ATOM 0 HA THR A 79 -4.373 -4.911 -4.602 1.00 0.00 H new ATOM 0 HB THR A 79 -4.470 -7.015 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.484 -8.192 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.213 -6.308 -7.101 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.293 -4.927 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.047 -5.367 -5.599 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.797 -5.182 -4.639 1.00 0.00 N ATOM 1230 CA ILE A 80 -8.224 -5.197 -4.904 1.00 0.00 C ATOM 1231 C ILE A 80 -8.497 -4.101 -5.931 1.00 0.00 C ATOM 1232 O ILE A 80 -8.628 -2.950 -5.543 1.00 0.00 O ATOM 1233 CB ILE A 80 -9.056 -5.006 -3.589 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.734 -6.327 -3.181 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -10.106 -3.907 -3.719 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -9.056 -7.043 -2.028 1.00 0.00 C ATOM 0 H ILE A 80 -6.437 -4.262 -4.385 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.535 -6.164 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.353 -4.701 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.769 -6.122 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.757 -6.992 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.654 -3.815 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.616 -2.961 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.799 -4.159 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.595 -7.963 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.028 -7.282 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.056 -6.399 -1.149 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.601 -4.411 -7.212 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.854 -3.356 -8.194 1.00 0.00 C ATOM 1250 C PHE A 81 -9.278 -3.961 -9.528 1.00 0.00 C ATOM 1251 O PHE A 81 -9.368 -5.204 -9.612 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.616 -2.434 -8.414 1.00 0.00 C ATOM 1253 CG PHE A 81 -6.633 -2.287 -7.251 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.969 -1.597 -6.080 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -5.356 -2.834 -7.340 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.063 -1.480 -5.035 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -4.445 -2.705 -6.292 1.00 0.00 C ATOM 1258 CZ PHE A 81 -4.806 -2.032 -5.141 1.00 0.00 C ATOM 1259 OXT PHE A 81 -9.518 -3.186 -10.479 1.00 0.00 O ATOM 0 H PHE A 81 -8.518 -5.353 -7.594 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.659 -2.741 -7.791 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.065 -2.810 -9.276 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.978 -1.440 -8.677 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.948 -1.149 -5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.066 -3.366 -8.234 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.345 -0.954 -4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.457 -3.132 -6.380 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.104 -1.939 -4.326 1.00 0.00 H new