USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 373 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 20 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.619 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -122:sc= 0.00185 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -54:sc= 1.19 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 170:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 24:sc= 0.671 USER MOD Single : A 31 TYR OH : rot 168:sc= -2.48 USER MOD Single : A 33 ASN : amide:sc= -1.68! C(o=-1.7!,f=-7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 44 SER OG : rot -150:sc= -0.0268 USER MOD Single : A 45 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.35) USER MOD Single : A 47 THR OG1 : rot -90:sc= -0.985! USER MOD Single : A 49 THR OG1 : rot 150:sc= -3.9! USER MOD Single : A 51 SER OG : rot 180:sc= -0.699 USER MOD Single : A 52 HIS : no HE2:sc= -5.06! C(o=-5.1!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 6.762 11.859 -8.364 1.00 0.00 N ATOM 2 CA ALA A 3 7.586 10.678 -8.749 1.00 0.00 C ATOM 3 C ALA A 3 6.738 9.409 -8.651 1.00 0.00 C ATOM 4 O ALA A 3 5.766 9.356 -7.926 1.00 0.00 O ATOM 5 CB ALA A 3 8.784 10.564 -7.803 1.00 0.00 C ATOM 0 HA ALA A 3 7.939 10.800 -9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.388 9.701 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.389 11.468 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.429 10.442 -6.780 1.00 0.00 H new ATOM 13 N VAL A 4 7.102 8.384 -9.377 1.00 0.00 N ATOM 14 CA VAL A 4 6.323 7.112 -9.331 1.00 0.00 C ATOM 15 C VAL A 4 4.878 7.382 -9.772 1.00 0.00 C ATOM 16 O VAL A 4 4.386 8.489 -9.671 1.00 0.00 O ATOM 17 CB VAL A 4 6.374 6.532 -7.900 1.00 0.00 C ATOM 18 CG1 VAL A 4 5.059 6.778 -7.143 1.00 0.00 C ATOM 19 CG2 VAL A 4 6.628 5.025 -7.980 1.00 0.00 C ATOM 0 H VAL A 4 7.908 8.374 -10.002 1.00 0.00 H new ATOM 0 HA VAL A 4 6.756 6.380 -10.013 1.00 0.00 H new ATOM 0 HB VAL A 4 7.178 7.032 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.132 6.356 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.874 7.850 -7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.237 6.302 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.665 4.608 -6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.823 4.550 -8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.577 4.842 -8.484 1.00 0.00 H new ATOM 29 N SER A 5 4.197 6.381 -10.260 1.00 0.00 N ATOM 30 CA SER A 5 2.791 6.588 -10.704 1.00 0.00 C ATOM 31 C SER A 5 2.033 5.258 -10.665 1.00 0.00 C ATOM 32 O SER A 5 2.164 4.432 -11.546 1.00 0.00 O ATOM 33 CB SER A 5 2.783 7.133 -12.132 1.00 0.00 C ATOM 34 OG SER A 5 3.972 7.877 -12.358 1.00 0.00 O ATOM 0 H SER A 5 4.553 5.432 -10.370 1.00 0.00 H new ATOM 0 HA SER A 5 2.305 7.300 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.713 6.313 -12.846 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.909 7.766 -12.287 1.00 0.00 H new ATOM 0 HG SER A 5 3.970 8.226 -13.274 1.00 0.00 H new ATOM 40 N VAL A 6 1.235 5.049 -9.654 1.00 0.00 N ATOM 41 CA VAL A 6 0.461 3.779 -9.564 1.00 0.00 C ATOM 42 C VAL A 6 -1.034 4.096 -9.644 1.00 0.00 C ATOM 43 O VAL A 6 -1.492 5.100 -9.136 1.00 0.00 O ATOM 44 CB VAL A 6 0.766 3.083 -8.236 1.00 0.00 C ATOM 45 CG1 VAL A 6 0.499 4.050 -7.080 1.00 0.00 C ATOM 46 CG2 VAL A 6 -0.133 1.853 -8.089 1.00 0.00 C ATOM 0 H VAL A 6 1.086 5.703 -8.886 1.00 0.00 H new ATOM 0 HA VAL A 6 0.742 3.121 -10.386 1.00 0.00 H new ATOM 0 HB VAL A 6 1.811 2.775 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.716 3.555 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.137 4.928 -7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.547 4.358 -7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.083 1.356 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.178 2.162 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.055 1.164 -8.913 1.00 0.00 H new ATOM 56 N ASP A 7 -1.797 3.253 -10.282 1.00 0.00 N ATOM 57 CA ASP A 7 -3.260 3.516 -10.398 1.00 0.00 C ATOM 58 C ASP A 7 -4.035 2.525 -9.525 1.00 0.00 C ATOM 59 O ASP A 7 -4.382 1.443 -9.953 1.00 0.00 O ATOM 60 CB ASP A 7 -3.701 3.366 -11.860 1.00 0.00 C ATOM 61 CG ASP A 7 -2.770 2.390 -12.588 1.00 0.00 C ATOM 62 OD1 ASP A 7 -3.060 1.205 -12.576 1.00 0.00 O ATOM 63 OD2 ASP A 7 -1.785 2.846 -13.145 1.00 0.00 O ATOM 0 H ASP A 7 -1.472 2.395 -10.728 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.467 4.532 -10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.728 3.004 -11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.684 4.337 -12.356 1.00 0.00 H new ATOM 68 N CYS A 8 -4.311 2.891 -8.301 1.00 0.00 N ATOM 69 CA CYS A 8 -5.066 1.978 -7.396 1.00 0.00 C ATOM 70 C CYS A 8 -6.498 2.495 -7.236 1.00 0.00 C ATOM 71 O CYS A 8 -7.132 2.303 -6.214 1.00 0.00 O ATOM 72 CB CYS A 8 -4.386 1.945 -6.027 1.00 0.00 C ATOM 73 SG CYS A 8 -2.687 1.349 -6.208 1.00 0.00 S ATOM 0 H CYS A 8 -4.045 3.785 -7.889 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.083 0.974 -7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.388 2.941 -5.585 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.940 1.295 -5.350 1.00 0.00 H new ATOM 78 N SER A 9 -7.013 3.153 -8.242 1.00 0.00 N ATOM 79 CA SER A 9 -8.399 3.697 -8.157 1.00 0.00 C ATOM 80 C SER A 9 -9.433 2.592 -8.415 1.00 0.00 C ATOM 81 O SER A 9 -10.467 2.830 -9.005 1.00 0.00 O ATOM 82 CB SER A 9 -8.570 4.799 -9.204 1.00 0.00 C ATOM 83 OG SER A 9 -7.295 5.335 -9.532 1.00 0.00 O ATOM 0 H SER A 9 -6.531 3.337 -9.122 1.00 0.00 H new ATOM 0 HA SER A 9 -8.558 4.098 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.049 4.397 -10.097 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.220 5.585 -8.819 1.00 0.00 H new ATOM 0 HG SER A 9 -7.400 6.041 -10.204 1.00 0.00 H new ATOM 89 N GLU A 10 -9.175 1.392 -7.971 1.00 0.00 N ATOM 90 CA GLU A 10 -10.154 0.295 -8.187 1.00 0.00 C ATOM 91 C GLU A 10 -9.954 -0.773 -7.114 1.00 0.00 C ATOM 92 O GLU A 10 -10.356 -1.910 -7.271 1.00 0.00 O ATOM 93 CB GLU A 10 -9.947 -0.320 -9.573 1.00 0.00 C ATOM 94 CG GLU A 10 -11.304 -0.694 -10.176 1.00 0.00 C ATOM 95 CD GLU A 10 -11.102 -1.296 -11.570 1.00 0.00 C ATOM 96 OE1 GLU A 10 -10.824 -2.481 -11.647 1.00 0.00 O ATOM 97 OE2 GLU A 10 -11.233 -0.561 -12.534 1.00 0.00 O ATOM 0 H GLU A 10 -8.328 1.126 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.167 0.693 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.431 0.387 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.314 -1.204 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.815 -1.409 -9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.940 0.189 -10.239 1.00 0.00 H new ATOM 104 N TYR A 11 -9.331 -0.420 -6.021 1.00 0.00 N ATOM 105 CA TYR A 11 -9.101 -1.416 -4.942 1.00 0.00 C ATOM 106 C TYR A 11 -9.552 -0.837 -3.593 1.00 0.00 C ATOM 107 O TYR A 11 -8.738 -0.610 -2.719 1.00 0.00 O ATOM 108 CB TYR A 11 -7.611 -1.737 -4.878 1.00 0.00 C ATOM 109 CG TYR A 11 -7.301 -2.917 -5.769 1.00 0.00 C ATOM 110 CD1 TYR A 11 -7.337 -2.768 -7.162 1.00 0.00 C ATOM 111 CD2 TYR A 11 -6.974 -4.156 -5.206 1.00 0.00 C ATOM 112 CE1 TYR A 11 -7.043 -3.858 -7.989 1.00 0.00 C ATOM 113 CE2 TYR A 11 -6.682 -5.246 -6.034 1.00 0.00 C ATOM 114 CZ TYR A 11 -6.716 -5.096 -7.427 1.00 0.00 C ATOM 115 OH TYR A 11 -6.425 -6.169 -8.244 1.00 0.00 O ATOM 0 H TYR A 11 -8.973 0.516 -5.832 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.672 -2.320 -5.152 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -7.029 -0.870 -5.192 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.322 -1.960 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.591 -1.813 -7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.947 -4.271 -4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.069 -3.743 -9.063 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.431 -6.202 -5.600 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.218 -6.953 -7.693 1.00 0.00 H new ATOM 125 N PRO A 12 -10.837 -0.615 -3.464 1.00 0.00 N ATOM 126 CA PRO A 12 -11.434 -0.060 -2.234 1.00 0.00 C ATOM 127 C PRO A 12 -11.631 -1.156 -1.175 1.00 0.00 C ATOM 128 O PRO A 12 -12.509 -1.067 -0.341 1.00 0.00 O ATOM 129 CB PRO A 12 -12.791 0.471 -2.706 1.00 0.00 C ATOM 130 CG PRO A 12 -13.137 -0.307 -3.998 1.00 0.00 C ATOM 131 CD PRO A 12 -11.813 -0.884 -4.538 1.00 0.00 C ATOM 0 HA PRO A 12 -10.808 0.702 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.555 0.318 -1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.743 1.543 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.850 -1.105 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.600 0.351 -4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.897 -1.952 -4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.520 -0.404 -5.472 1.00 0.00 H new ATOM 139 N LYS A 13 -10.827 -2.187 -1.197 1.00 0.00 N ATOM 140 CA LYS A 13 -10.968 -3.264 -0.209 1.00 0.00 C ATOM 141 C LYS A 13 -9.691 -3.332 0.607 1.00 0.00 C ATOM 142 O LYS A 13 -9.053 -2.337 0.891 1.00 0.00 O ATOM 143 CB LYS A 13 -11.209 -4.581 -0.955 1.00 0.00 C ATOM 144 CG LYS A 13 -9.955 -4.959 -1.744 1.00 0.00 C ATOM 145 CD LYS A 13 -10.364 -5.647 -3.048 1.00 0.00 C ATOM 146 CE LYS A 13 -9.210 -6.512 -3.554 1.00 0.00 C ATOM 147 NZ LYS A 13 -9.572 -7.100 -4.875 1.00 0.00 N ATOM 0 H LYS A 13 -10.073 -2.318 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.808 -3.080 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.458 -5.372 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.059 -4.478 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.365 -4.068 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.325 -5.623 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.249 -6.262 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.629 -4.901 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.305 -5.912 -3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.994 -7.305 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.523 -8.137 -4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.538 -6.813 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.908 -6.761 -5.600 1.00 0.00 H new ATOM 161 N CYS A 14 -9.332 -4.497 0.981 1.00 0.00 N ATOM 162 CA CYS A 14 -8.098 -4.689 1.795 1.00 0.00 C ATOM 163 C CYS A 14 -8.001 -6.145 2.260 1.00 0.00 C ATOM 164 O CYS A 14 -8.176 -6.442 3.426 1.00 0.00 O ATOM 165 CB CYS A 14 -8.162 -3.776 3.022 1.00 0.00 C ATOM 166 SG CYS A 14 -6.594 -2.894 3.207 1.00 0.00 S ATOM 0 H CYS A 14 -9.839 -5.355 0.762 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.225 -4.445 1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.981 -3.064 2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.367 -4.365 3.916 1.00 0.00 H new ATOM 171 N ALA A 15 -7.725 -7.061 1.370 1.00 0.00 N ATOM 172 CA ALA A 15 -7.625 -8.489 1.791 1.00 0.00 C ATOM 173 C ALA A 15 -6.645 -9.245 0.887 1.00 0.00 C ATOM 174 O ALA A 15 -7.030 -10.131 0.150 1.00 0.00 O ATOM 175 CB ALA A 15 -9.004 -9.144 1.699 1.00 0.00 C ATOM 0 H ALA A 15 -7.566 -6.885 0.378 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.262 -8.528 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.932 -10.187 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.700 -8.620 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.364 -9.092 0.671 1.00 0.00 H new ATOM 181 N CYS A 16 -5.380 -8.920 0.942 1.00 0.00 N ATOM 182 CA CYS A 16 -4.398 -9.647 0.086 1.00 0.00 C ATOM 183 C CYS A 16 -3.217 -10.118 0.931 1.00 0.00 C ATOM 184 O CYS A 16 -2.768 -9.438 1.833 1.00 0.00 O ATOM 185 CB CYS A 16 -3.874 -8.737 -1.019 1.00 0.00 C ATOM 186 SG CYS A 16 -5.211 -8.344 -2.174 1.00 0.00 S ATOM 0 H CYS A 16 -4.988 -8.190 1.536 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.905 -10.504 -0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.472 -7.820 -0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.056 -9.226 -1.548 1.00 0.00 H new ATOM 191 N THR A 17 -2.709 -11.278 0.632 1.00 0.00 N ATOM 192 CA THR A 17 -1.546 -11.812 1.396 1.00 0.00 C ATOM 193 C THR A 17 -0.895 -12.945 0.599 1.00 0.00 C ATOM 194 O THR A 17 -0.282 -13.834 1.156 1.00 0.00 O ATOM 195 CB THR A 17 -2.022 -12.343 2.750 1.00 0.00 C ATOM 196 OG1 THR A 17 -0.940 -12.982 3.411 1.00 0.00 O ATOM 197 CG2 THR A 17 -3.157 -13.346 2.540 1.00 0.00 C ATOM 0 H THR A 17 -3.050 -11.885 -0.113 1.00 0.00 H new ATOM 0 HA THR A 17 -0.819 -11.016 1.558 1.00 0.00 H new ATOM 0 HB THR A 17 -2.383 -11.514 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.556 -13.666 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.494 -13.722 3.506 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.987 -12.855 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.800 -14.177 1.931 1.00 0.00 H new ATOM 205 N MET A 18 -1.035 -12.930 -0.699 1.00 0.00 N ATOM 206 CA MET A 18 -0.436 -14.018 -1.522 1.00 0.00 C ATOM 207 C MET A 18 0.951 -13.602 -2.022 1.00 0.00 C ATOM 208 O MET A 18 1.960 -14.053 -1.520 1.00 0.00 O ATOM 209 CB MET A 18 -1.349 -14.315 -2.715 1.00 0.00 C ATOM 210 CG MET A 18 -2.802 -14.392 -2.241 1.00 0.00 C ATOM 211 SD MET A 18 -3.721 -12.966 -2.872 1.00 0.00 S ATOM 212 CE MET A 18 -4.656 -13.842 -4.152 1.00 0.00 C ATOM 0 H MET A 18 -1.537 -12.213 -1.223 1.00 0.00 H new ATOM 0 HA MET A 18 -0.333 -14.913 -0.909 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.243 -13.536 -3.470 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.058 -15.255 -3.184 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.261 -15.317 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.840 -14.409 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.302 -13.138 -4.677 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.964 -14.298 -4.860 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.266 -14.618 -3.690 1.00 0.00 H new ATOM 222 N GLU A 19 1.011 -12.754 -3.011 1.00 0.00 N ATOM 223 CA GLU A 19 2.334 -12.321 -3.543 1.00 0.00 C ATOM 224 C GLU A 19 3.113 -11.593 -2.447 1.00 0.00 C ATOM 225 O GLU A 19 2.542 -10.929 -1.604 1.00 0.00 O ATOM 226 CB GLU A 19 2.124 -11.380 -4.731 1.00 0.00 C ATOM 227 CG GLU A 19 3.480 -11.007 -5.331 1.00 0.00 C ATOM 228 CD GLU A 19 3.265 -10.197 -6.610 1.00 0.00 C ATOM 229 OE1 GLU A 19 2.124 -9.875 -6.899 1.00 0.00 O ATOM 230 OE2 GLU A 19 4.245 -9.913 -7.280 1.00 0.00 O ATOM 0 H GLU A 19 0.201 -12.342 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 19 2.897 -13.196 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.501 -11.862 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.597 -10.482 -4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.060 -10.427 -4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.053 -11.908 -5.550 1.00 0.00 H new ATOM 237 N TYR A 20 4.415 -11.713 -2.447 1.00 0.00 N ATOM 238 CA TYR A 20 5.221 -11.026 -1.399 1.00 0.00 C ATOM 239 C TYR A 20 5.968 -9.841 -2.007 1.00 0.00 C ATOM 240 O TYR A 20 6.904 -9.998 -2.765 1.00 0.00 O ATOM 241 CB TYR A 20 6.235 -11.992 -0.803 1.00 0.00 C ATOM 242 CG TYR A 20 6.572 -11.553 0.601 1.00 0.00 C ATOM 243 CD1 TYR A 20 5.549 -11.194 1.488 1.00 0.00 C ATOM 244 CD2 TYR A 20 7.907 -11.498 1.014 1.00 0.00 C ATOM 245 CE1 TYR A 20 5.863 -10.781 2.788 1.00 0.00 C ATOM 246 CE2 TYR A 20 8.221 -11.086 2.314 1.00 0.00 C ATOM 247 CZ TYR A 20 7.198 -10.728 3.201 1.00 0.00 C ATOM 248 OH TYR A 20 7.509 -10.320 4.481 1.00 0.00 O ATOM 0 H TYR A 20 4.952 -12.255 -3.125 1.00 0.00 H new ATOM 0 HA TYR A 20 4.546 -10.675 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.829 -13.004 -0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.136 -12.016 -1.416 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.518 -11.236 1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.696 -11.774 0.330 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.075 -10.503 3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.252 -11.044 2.633 1.00 0.00 H new ATOM 0 HH TYR A 20 8.481 -10.342 4.604 1.00 0.00 H new ATOM 258 N ARG A 21 5.565 -8.660 -1.657 1.00 0.00 N ATOM 259 CA ARG A 21 6.236 -7.437 -2.179 1.00 0.00 C ATOM 260 C ARG A 21 6.070 -6.314 -1.151 1.00 0.00 C ATOM 261 O ARG A 21 5.099 -5.584 -1.183 1.00 0.00 O ATOM 262 CB ARG A 21 5.592 -7.019 -3.503 1.00 0.00 C ATOM 263 CG ARG A 21 6.644 -7.035 -4.614 1.00 0.00 C ATOM 264 CD ARG A 21 6.175 -7.945 -5.749 1.00 0.00 C ATOM 265 NE ARG A 21 6.515 -9.357 -5.424 1.00 0.00 N ATOM 266 CZ ARG A 21 7.390 -10.002 -6.149 1.00 0.00 C ATOM 267 NH1 ARG A 21 8.509 -9.420 -6.489 1.00 0.00 N ATOM 268 NH2 ARG A 21 7.145 -11.224 -6.533 1.00 0.00 N ATOM 0 H ARG A 21 4.787 -8.482 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 21 7.294 -7.637 -2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.776 -7.697 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.161 -6.022 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.808 -6.025 -4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.597 -7.388 -4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.099 -7.842 -5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.650 -7.651 -6.685 1.00 0.00 H new ATOM 0 HE ARG A 21 6.065 -9.821 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.698 -8.464 -6.189 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.193 -9.922 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.270 -11.676 -6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.828 -11.727 -7.099 1.00 0.00 H new ATOM 282 N PRO A 22 7.023 -6.217 -0.260 1.00 0.00 N ATOM 283 CA PRO A 22 7.014 -5.202 0.809 1.00 0.00 C ATOM 284 C PRO A 22 7.367 -3.820 0.254 1.00 0.00 C ATOM 285 O PRO A 22 8.352 -3.647 -0.437 1.00 0.00 O ATOM 286 CB PRO A 22 8.081 -5.698 1.788 1.00 0.00 C ATOM 287 CG PRO A 22 9.011 -6.636 0.982 1.00 0.00 C ATOM 288 CD PRO A 22 8.203 -7.108 -0.241 1.00 0.00 C ATOM 0 HA PRO A 22 6.037 -5.087 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.641 -4.863 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.625 -6.228 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.915 -6.112 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.327 -7.484 1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.783 -7.021 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.911 -8.154 -0.146 1.00 0.00 H new ATOM 296 N LEU A 23 6.564 -2.835 0.553 1.00 0.00 N ATOM 297 CA LEU A 23 6.843 -1.461 0.046 1.00 0.00 C ATOM 298 C LEU A 23 6.798 -0.462 1.205 1.00 0.00 C ATOM 299 O LEU A 23 5.890 -0.477 2.012 1.00 0.00 O ATOM 300 CB LEU A 23 5.778 -1.076 -0.985 1.00 0.00 C ATOM 301 CG LEU A 23 6.021 -1.845 -2.283 1.00 0.00 C ATOM 302 CD1 LEU A 23 4.740 -2.573 -2.695 1.00 0.00 C ATOM 303 CD2 LEU A 23 6.422 -0.864 -3.384 1.00 0.00 C ATOM 0 H LEU A 23 5.726 -2.923 1.127 1.00 0.00 H new ATOM 0 HA LEU A 23 7.831 -1.442 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.784 -1.301 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.811 -0.003 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 23 6.818 -2.572 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.915 -3.121 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.449 -3.271 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.942 -1.847 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.596 -1.409 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.622 -0.139 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.334 -0.343 -3.093 1.00 0.00 H new ATOM 315 N CYS A 24 7.760 0.418 1.286 1.00 0.00 N ATOM 316 CA CYS A 24 7.750 1.423 2.389 1.00 0.00 C ATOM 317 C CYS A 24 6.971 2.653 1.923 1.00 0.00 C ATOM 318 O CYS A 24 7.542 3.633 1.478 1.00 0.00 O ATOM 319 CB CYS A 24 9.184 1.834 2.753 1.00 0.00 C ATOM 320 SG CYS A 24 10.295 0.428 2.537 1.00 0.00 S ATOM 0 H CYS A 24 8.547 0.485 0.641 1.00 0.00 H new ATOM 0 HA CYS A 24 7.279 0.987 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.505 2.664 2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.221 2.184 3.785 1.00 0.00 H new ATOM 325 N GLY A 25 5.668 2.603 2.011 1.00 0.00 N ATOM 326 CA GLY A 25 4.838 3.758 1.572 1.00 0.00 C ATOM 327 C GLY A 25 5.431 5.055 2.122 1.00 0.00 C ATOM 328 O GLY A 25 6.067 5.066 3.158 1.00 0.00 O ATOM 0 H GLY A 25 5.142 1.806 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.799 3.797 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.813 3.637 1.924 1.00 0.00 H new ATOM 332 N SER A 26 5.227 6.148 1.432 1.00 0.00 N ATOM 333 CA SER A 26 5.778 7.455 1.900 1.00 0.00 C ATOM 334 C SER A 26 5.426 7.690 3.370 1.00 0.00 C ATOM 335 O SER A 26 6.048 8.488 4.041 1.00 0.00 O ATOM 336 CB SER A 26 5.182 8.584 1.061 1.00 0.00 C ATOM 337 OG SER A 26 5.183 9.783 1.826 1.00 0.00 O ATOM 0 H SER A 26 4.700 6.191 0.560 1.00 0.00 H new ATOM 0 HA SER A 26 6.862 7.436 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.762 8.720 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.166 8.332 0.759 1.00 0.00 H new ATOM 0 HG SER A 26 4.955 10.540 1.247 1.00 0.00 H new ATOM 343 N ASP A 27 4.434 7.013 3.879 1.00 0.00 N ATOM 344 CA ASP A 27 4.056 7.218 5.308 1.00 0.00 C ATOM 345 C ASP A 27 4.886 6.292 6.194 1.00 0.00 C ATOM 346 O ASP A 27 4.476 5.915 7.274 1.00 0.00 O ATOM 347 CB ASP A 27 2.569 6.910 5.498 1.00 0.00 C ATOM 348 CG ASP A 27 2.323 5.417 5.283 1.00 0.00 C ATOM 349 OD1 ASP A 27 3.103 4.805 4.573 1.00 0.00 O ATOM 350 OD2 ASP A 27 1.357 4.912 5.831 1.00 0.00 O ATOM 0 H ASP A 27 3.871 6.330 3.372 1.00 0.00 H new ATOM 0 HA ASP A 27 4.248 8.254 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.252 7.200 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.974 7.492 4.794 1.00 0.00 H new ATOM 355 N ASN A 28 6.051 5.920 5.745 1.00 0.00 N ATOM 356 CA ASN A 28 6.911 5.017 6.559 1.00 0.00 C ATOM 357 C ASN A 28 6.119 3.760 6.913 1.00 0.00 C ATOM 358 O ASN A 28 6.288 3.183 7.969 1.00 0.00 O ATOM 359 CB ASN A 28 7.335 5.734 7.842 1.00 0.00 C ATOM 360 CG ASN A 28 8.856 5.665 7.988 1.00 0.00 C ATOM 361 OD1 ASN A 28 9.576 6.363 7.301 1.00 0.00 O ATOM 362 ND2 ASN A 28 9.379 4.846 8.860 1.00 0.00 N ATOM 0 H ASN A 28 6.446 6.203 4.848 1.00 0.00 H new ATOM 0 HA ASN A 28 7.800 4.743 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.009 6.774 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.855 5.272 8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.392 4.792 8.965 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.774 4.260 9.436 1.00 0.00 H new ATOM 369 N LYS A 29 5.251 3.331 6.038 1.00 0.00 N ATOM 370 CA LYS A 29 4.447 2.114 6.326 1.00 0.00 C ATOM 371 C LYS A 29 4.881 0.985 5.396 1.00 0.00 C ATOM 372 O LYS A 29 5.385 1.219 4.320 1.00 0.00 O ATOM 373 CB LYS A 29 2.967 2.419 6.104 1.00 0.00 C ATOM 374 CG LYS A 29 2.134 1.213 6.529 1.00 0.00 C ATOM 375 CD LYS A 29 2.200 1.059 8.050 1.00 0.00 C ATOM 376 CE LYS A 29 0.802 1.242 8.645 1.00 0.00 C ATOM 377 NZ LYS A 29 0.176 -0.093 8.859 1.00 0.00 N ATOM 0 H LYS A 29 5.065 3.772 5.137 1.00 0.00 H new ATOM 0 HA LYS A 29 4.604 1.810 7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.675 3.298 6.679 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.785 2.650 5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.100 1.341 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.507 0.311 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.591 0.075 8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.885 1.795 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.865 1.782 9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.186 1.842 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.774 0.030 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.103 -0.592 7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.761 -0.650 9.514 1.00 0.00 H new ATOM 391 N THR A 30 4.694 -0.239 5.800 1.00 0.00 N ATOM 392 CA THR A 30 5.102 -1.376 4.928 1.00 0.00 C ATOM 393 C THR A 30 3.853 -2.109 4.432 1.00 0.00 C ATOM 394 O THR A 30 2.981 -2.462 5.202 1.00 0.00 O ATOM 395 CB THR A 30 5.981 -2.341 5.723 1.00 0.00 C ATOM 396 OG1 THR A 30 7.186 -1.685 6.090 1.00 0.00 O ATOM 397 CG2 THR A 30 6.303 -3.563 4.863 1.00 0.00 C ATOM 0 H THR A 30 4.278 -0.502 6.693 1.00 0.00 H new ATOM 0 HA THR A 30 5.664 -0.997 4.075 1.00 0.00 H new ATOM 0 HB THR A 30 5.454 -2.661 6.621 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.038 -0.716 6.109 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.930 -4.252 5.429 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.377 -4.064 4.581 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.832 -3.246 3.964 1.00 0.00 H new ATOM 405 N TYR A 31 3.755 -2.331 3.150 1.00 0.00 N ATOM 406 CA TYR A 31 2.566 -3.028 2.603 1.00 0.00 C ATOM 407 C TYR A 31 2.937 -4.463 2.222 1.00 0.00 C ATOM 408 O TYR A 31 4.022 -4.727 1.738 1.00 0.00 O ATOM 409 CB TYR A 31 2.087 -2.273 1.367 1.00 0.00 C ATOM 410 CG TYR A 31 1.509 -0.944 1.789 1.00 0.00 C ATOM 411 CD1 TYR A 31 0.193 -0.869 2.261 1.00 0.00 C ATOM 412 CD2 TYR A 31 2.292 0.214 1.712 1.00 0.00 C ATOM 413 CE1 TYR A 31 -0.339 0.365 2.656 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.761 1.447 2.107 1.00 0.00 C ATOM 415 CZ TYR A 31 0.445 1.523 2.579 1.00 0.00 C ATOM 416 OH TYR A 31 -0.078 2.740 2.970 1.00 0.00 O ATOM 0 H TYR A 31 4.452 -2.057 2.458 1.00 0.00 H new ATOM 0 HA TYR A 31 1.774 -3.058 3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.916 -2.119 0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.335 -2.858 0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.411 -1.762 2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.307 0.156 1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.354 0.424 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.366 2.340 2.048 1.00 0.00 H new ATOM 0 HH TYR A 31 0.644 3.400 3.037 1.00 0.00 H new ATOM 426 N GLY A 32 2.041 -5.390 2.436 1.00 0.00 N ATOM 427 CA GLY A 32 2.331 -6.812 2.092 1.00 0.00 C ATOM 428 C GLY A 32 2.545 -6.944 0.583 1.00 0.00 C ATOM 429 O GLY A 32 3.255 -7.813 0.120 1.00 0.00 O ATOM 0 H GLY A 32 1.118 -5.222 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.218 -7.152 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.505 -7.449 2.409 1.00 0.00 H new ATOM 433 N ASN A 33 1.938 -6.086 -0.187 1.00 0.00 N ATOM 434 CA ASN A 33 2.105 -6.157 -1.661 1.00 0.00 C ATOM 435 C ASN A 33 1.399 -4.966 -2.298 1.00 0.00 C ATOM 436 O ASN A 33 0.795 -4.158 -1.624 1.00 0.00 O ATOM 437 CB ASN A 33 1.495 -7.458 -2.191 1.00 0.00 C ATOM 438 CG ASN A 33 0.251 -7.809 -1.373 1.00 0.00 C ATOM 439 OD1 ASN A 33 -0.670 -7.021 -1.278 1.00 0.00 O ATOM 440 ND2 ASN A 33 0.183 -8.967 -0.775 1.00 0.00 N ATOM 0 H ASN A 33 1.331 -5.336 0.144 1.00 0.00 H new ATOM 0 HA ASN A 33 3.166 -6.135 -1.910 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.232 -7.347 -3.243 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.224 -8.266 -2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.643 -9.211 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.956 -9.628 -0.855 1.00 0.00 H new ATOM 447 N LYS A 34 1.477 -4.847 -3.590 1.00 0.00 N ATOM 448 CA LYS A 34 0.816 -3.707 -4.274 1.00 0.00 C ATOM 449 C LYS A 34 -0.688 -3.748 -4.004 1.00 0.00 C ATOM 450 O LYS A 34 -1.388 -2.774 -4.203 1.00 0.00 O ATOM 451 CB LYS A 34 1.074 -3.793 -5.780 1.00 0.00 C ATOM 452 CG LYS A 34 0.421 -5.055 -6.345 1.00 0.00 C ATOM 453 CD LYS A 34 -0.135 -4.756 -7.738 1.00 0.00 C ATOM 454 CE LYS A 34 -1.326 -5.673 -8.024 1.00 0.00 C ATOM 455 NZ LYS A 34 -2.593 -4.954 -7.716 1.00 0.00 N ATOM 0 H LYS A 34 1.972 -5.493 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 34 1.223 -2.771 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.673 -2.910 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.146 -3.809 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.150 -5.863 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.379 -5.391 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.443 -3.712 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.640 -4.905 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.317 -5.983 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.254 -6.579 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.402 -5.578 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.601 -4.679 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.662 -4.102 -8.309 1.00 0.00 H new ATOM 469 N CYS A 35 -1.191 -4.856 -3.535 1.00 0.00 N ATOM 470 CA CYS A 35 -2.649 -4.925 -3.238 1.00 0.00 C ATOM 471 C CYS A 35 -2.900 -4.192 -1.925 1.00 0.00 C ATOM 472 O CYS A 35 -3.914 -3.548 -1.735 1.00 0.00 O ATOM 473 CB CYS A 35 -3.096 -6.381 -3.105 1.00 0.00 C ATOM 474 SG CYS A 35 -4.860 -6.426 -2.701 1.00 0.00 S ATOM 0 H CYS A 35 -0.663 -5.708 -3.346 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.214 -4.465 -4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.910 -6.918 -4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.519 -6.882 -2.327 1.00 0.00 H new ATOM 479 N ASN A 36 -1.962 -4.270 -1.023 1.00 0.00 N ATOM 480 CA ASN A 36 -2.111 -3.569 0.274 1.00 0.00 C ATOM 481 C ASN A 36 -1.728 -2.105 0.068 1.00 0.00 C ATOM 482 O ASN A 36 -2.198 -1.221 0.755 1.00 0.00 O ATOM 483 CB ASN A 36 -1.182 -4.210 1.304 1.00 0.00 C ATOM 484 CG ASN A 36 -1.941 -4.425 2.615 1.00 0.00 C ATOM 485 OD1 ASN A 36 -1.785 -3.670 3.554 1.00 0.00 O ATOM 486 ND2 ASN A 36 -2.761 -5.435 2.716 1.00 0.00 N ATOM 0 H ASN A 36 -1.094 -4.794 -1.133 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.138 -3.640 0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.808 -5.162 0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.315 -3.571 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.272 -5.592 3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.891 -6.068 1.926 1.00 0.00 H new ATOM 493 N PHE A 37 -0.885 -1.850 -0.896 1.00 0.00 N ATOM 494 CA PHE A 37 -0.473 -0.451 -1.183 1.00 0.00 C ATOM 495 C PHE A 37 -1.630 0.255 -1.888 1.00 0.00 C ATOM 496 O PHE A 37 -1.827 1.444 -1.745 1.00 0.00 O ATOM 497 CB PHE A 37 0.760 -0.457 -2.094 1.00 0.00 C ATOM 498 CG PHE A 37 1.284 0.953 -2.239 1.00 0.00 C ATOM 499 CD1 PHE A 37 2.231 1.449 -1.334 1.00 0.00 C ATOM 500 CD2 PHE A 37 0.819 1.766 -3.280 1.00 0.00 C ATOM 501 CE1 PHE A 37 2.713 2.757 -1.471 1.00 0.00 C ATOM 502 CE2 PHE A 37 1.301 3.074 -3.416 1.00 0.00 C ATOM 503 CZ PHE A 37 2.247 3.568 -2.512 1.00 0.00 C ATOM 0 H PHE A 37 -0.463 -2.556 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.226 0.068 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.532 -1.102 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.501 -0.863 -3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.590 0.823 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.089 1.384 -3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.444 3.139 -0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.942 3.701 -4.219 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.618 4.577 -2.617 1.00 0.00 H new ATOM 513 N CYS A 38 -2.403 -0.481 -2.640 1.00 0.00 N ATOM 514 CA CYS A 38 -3.559 0.130 -3.353 1.00 0.00 C ATOM 515 C CYS A 38 -4.719 0.298 -2.371 1.00 0.00 C ATOM 516 O CYS A 38 -5.609 1.100 -2.574 1.00 0.00 O ATOM 517 CB CYS A 38 -3.991 -0.786 -4.500 1.00 0.00 C ATOM 518 SG CYS A 38 -2.815 -0.637 -5.869 1.00 0.00 S ATOM 0 H CYS A 38 -2.282 -1.483 -2.791 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.273 1.102 -3.755 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.036 -1.819 -4.157 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.993 -0.518 -4.836 1.00 0.00 H new ATOM 523 N CYS A 39 -4.713 -0.452 -1.301 1.00 0.00 N ATOM 524 CA CYS A 39 -5.810 -0.334 -0.302 1.00 0.00 C ATOM 525 C CYS A 39 -5.600 0.936 0.517 1.00 0.00 C ATOM 526 O CYS A 39 -6.509 1.716 0.723 1.00 0.00 O ATOM 527 CB CYS A 39 -5.787 -1.554 0.624 1.00 0.00 C ATOM 528 SG CYS A 39 -6.834 -1.245 2.069 1.00 0.00 S ATOM 0 H CYS A 39 -3.995 -1.141 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.773 -0.287 -0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.141 -2.435 0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.765 -1.762 0.941 1.00 0.00 H new ATOM 533 N ALA A 40 -4.404 1.151 0.980 1.00 0.00 N ATOM 534 CA ALA A 40 -4.128 2.371 1.781 1.00 0.00 C ATOM 535 C ALA A 40 -4.208 3.591 0.863 1.00 0.00 C ATOM 536 O ALA A 40 -4.473 4.694 1.298 1.00 0.00 O ATOM 537 CB ALA A 40 -2.730 2.277 2.395 1.00 0.00 C ATOM 0 H ALA A 40 -3.604 0.534 0.838 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.861 2.463 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.530 3.173 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.674 1.400 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.989 2.191 1.601 1.00 0.00 H new ATOM 543 N VAL A 41 -3.991 3.395 -0.409 1.00 0.00 N ATOM 544 CA VAL A 41 -4.064 4.538 -1.358 1.00 0.00 C ATOM 545 C VAL A 41 -5.524 4.964 -1.511 1.00 0.00 C ATOM 546 O VAL A 41 -5.830 6.130 -1.664 1.00 0.00 O ATOM 547 CB VAL A 41 -3.509 4.108 -2.717 1.00 0.00 C ATOM 548 CG1 VAL A 41 -3.760 5.210 -3.748 1.00 0.00 C ATOM 549 CG2 VAL A 41 -2.005 3.858 -2.593 1.00 0.00 C ATOM 0 H VAL A 41 -3.767 2.493 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.475 5.373 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.007 3.194 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.363 4.901 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.832 5.389 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.264 6.127 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.606 3.551 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.509 4.773 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.826 3.071 -1.861 1.00 0.00 H new ATOM 559 N VAL A 42 -6.428 4.024 -1.464 1.00 0.00 N ATOM 560 CA VAL A 42 -7.871 4.369 -1.597 1.00 0.00 C ATOM 561 C VAL A 42 -8.386 4.861 -0.244 1.00 0.00 C ATOM 562 O VAL A 42 -9.401 5.525 -0.155 1.00 0.00 O ATOM 563 CB VAL A 42 -8.659 3.131 -2.037 1.00 0.00 C ATOM 564 CG1 VAL A 42 -10.154 3.452 -2.062 1.00 0.00 C ATOM 565 CG2 VAL A 42 -8.205 2.716 -3.438 1.00 0.00 C ATOM 0 H VAL A 42 -6.229 3.031 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.999 5.151 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.478 2.318 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.711 2.569 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.479 3.751 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.340 4.266 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.763 1.835 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.388 3.533 -4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.140 2.484 -3.422 1.00 0.00 H new ATOM 575 N GLU A 43 -7.682 4.549 0.811 1.00 0.00 N ATOM 576 CA GLU A 43 -8.115 5.004 2.161 1.00 0.00 C ATOM 577 C GLU A 43 -7.726 6.473 2.332 1.00 0.00 C ATOM 578 O GLU A 43 -8.386 7.226 3.021 1.00 0.00 O ATOM 579 CB GLU A 43 -7.419 4.160 3.231 1.00 0.00 C ATOM 580 CG GLU A 43 -8.254 2.909 3.517 1.00 0.00 C ATOM 581 CD GLU A 43 -8.715 2.924 4.976 1.00 0.00 C ATOM 582 OE1 GLU A 43 -8.153 3.682 5.748 1.00 0.00 O ATOM 583 OE2 GLU A 43 -9.624 2.176 5.295 1.00 0.00 O ATOM 0 H GLU A 43 -6.824 3.997 0.795 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.194 4.892 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.422 3.876 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.293 4.742 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.117 2.876 2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.665 2.013 3.320 1.00 0.00 H new ATOM 590 N SER A 44 -6.662 6.884 1.699 1.00 0.00 N ATOM 591 CA SER A 44 -6.228 8.304 1.807 1.00 0.00 C ATOM 592 C SER A 44 -6.933 9.128 0.723 1.00 0.00 C ATOM 593 O SER A 44 -6.775 10.330 0.643 1.00 0.00 O ATOM 594 CB SER A 44 -4.714 8.392 1.610 1.00 0.00 C ATOM 595 OG SER A 44 -4.066 8.366 2.878 1.00 0.00 O ATOM 0 H SER A 44 -6.073 6.295 1.110 1.00 0.00 H new ATOM 0 HA SER A 44 -6.487 8.693 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.368 7.561 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.459 9.309 1.078 1.00 0.00 H new ATOM 0 HG SER A 44 -3.229 8.873 2.828 1.00 0.00 H new ATOM 601 N ASN A 45 -7.708 8.487 -0.110 1.00 0.00 N ATOM 602 CA ASN A 45 -8.422 9.228 -1.188 1.00 0.00 C ATOM 603 C ASN A 45 -7.414 9.671 -2.250 1.00 0.00 C ATOM 604 O ASN A 45 -7.713 10.483 -3.102 1.00 0.00 O ATOM 605 CB ASN A 45 -9.115 10.455 -0.593 1.00 0.00 C ATOM 606 CG ASN A 45 -10.229 10.917 -1.534 1.00 0.00 C ATOM 607 OD1 ASN A 45 -11.368 10.520 -1.385 1.00 0.00 O ATOM 608 ND2 ASN A 45 -9.948 11.744 -2.502 1.00 0.00 N ATOM 0 H ASN A 45 -7.877 7.481 -0.090 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.170 8.579 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.528 10.213 0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.393 11.258 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.684 12.058 -3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.992 12.077 -2.627 1.00 0.00 H new ATOM 615 N GLY A 46 -6.223 9.139 -2.208 1.00 0.00 N ATOM 616 CA GLY A 46 -5.197 9.527 -3.218 1.00 0.00 C ATOM 617 C GLY A 46 -4.151 10.439 -2.571 1.00 0.00 C ATOM 618 O GLY A 46 -3.248 10.923 -3.224 1.00 0.00 O ATOM 0 H GLY A 46 -5.916 8.453 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.716 8.636 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.672 10.040 -4.054 1.00 0.00 H new ATOM 622 N THR A 47 -4.264 10.678 -1.293 1.00 0.00 N ATOM 623 CA THR A 47 -3.272 11.559 -0.612 1.00 0.00 C ATOM 624 C THR A 47 -2.118 10.711 -0.070 1.00 0.00 C ATOM 625 O THR A 47 -1.262 11.195 0.643 1.00 0.00 O ATOM 626 CB THR A 47 -3.953 12.298 0.541 1.00 0.00 C ATOM 627 OG1 THR A 47 -4.745 11.384 1.287 1.00 0.00 O ATOM 628 CG2 THR A 47 -4.841 13.410 -0.020 1.00 0.00 C ATOM 0 H THR A 47 -4.998 10.303 -0.692 1.00 0.00 H new ATOM 0 HA THR A 47 -2.881 12.284 -1.326 1.00 0.00 H new ATOM 0 HB THR A 47 -3.196 12.735 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.650 11.354 0.912 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.327 13.937 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.231 14.110 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.599 12.976 -0.672 1.00 0.00 H new ATOM 636 N LEU A 48 -2.089 9.450 -0.404 1.00 0.00 N ATOM 637 CA LEU A 48 -0.991 8.571 0.088 1.00 0.00 C ATOM 638 C LEU A 48 -0.022 8.290 -1.064 1.00 0.00 C ATOM 639 O LEU A 48 -0.395 8.327 -2.221 1.00 0.00 O ATOM 640 CB LEU A 48 -1.589 7.257 0.597 1.00 0.00 C ATOM 641 CG LEU A 48 -0.468 6.259 0.891 1.00 0.00 C ATOM 642 CD1 LEU A 48 0.257 6.665 2.174 1.00 0.00 C ATOM 643 CD2 LEU A 48 -1.067 4.862 1.065 1.00 0.00 C ATOM 0 H LEU A 48 -2.779 8.990 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.455 9.061 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.174 7.438 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.270 6.844 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 48 0.240 6.254 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.055 5.953 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.682 7.661 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.449 6.671 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.270 4.148 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.775 4.870 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.583 4.571 0.150 1.00 0.00 H new ATOM 655 N THR A 49 1.221 8.017 -0.768 1.00 0.00 N ATOM 656 CA THR A 49 2.196 7.749 -1.863 1.00 0.00 C ATOM 657 C THR A 49 3.154 6.624 -1.463 1.00 0.00 C ATOM 658 O THR A 49 2.869 5.819 -0.598 1.00 0.00 O ATOM 659 CB THR A 49 3.002 9.019 -2.150 1.00 0.00 C ATOM 660 OG1 THR A 49 3.846 9.303 -1.044 1.00 0.00 O ATOM 661 CG2 THR A 49 2.048 10.192 -2.379 1.00 0.00 C ATOM 0 H THR A 49 1.601 7.968 0.178 1.00 0.00 H new ATOM 0 HA THR A 49 1.647 7.447 -2.755 1.00 0.00 H new ATOM 0 HB THR A 49 3.609 8.868 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.655 9.759 -1.358 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.624 11.095 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.401 9.974 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.438 10.344 -1.488 1.00 0.00 H new ATOM 669 N LEU A 50 4.290 6.574 -2.098 1.00 0.00 N ATOM 670 CA LEU A 50 5.295 5.519 -1.788 1.00 0.00 C ATOM 671 C LEU A 50 6.577 6.194 -1.294 1.00 0.00 C ATOM 672 O LEU A 50 6.805 7.362 -1.541 1.00 0.00 O ATOM 673 CB LEU A 50 5.584 4.713 -3.060 1.00 0.00 C ATOM 674 CG LEU A 50 6.714 3.712 -2.801 1.00 0.00 C ATOM 675 CD1 LEU A 50 6.236 2.638 -1.823 1.00 0.00 C ATOM 676 CD2 LEU A 50 7.115 3.051 -4.122 1.00 0.00 C ATOM 0 H LEU A 50 4.569 7.228 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 50 4.916 4.847 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.685 4.185 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.862 5.386 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 50 7.570 4.234 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.042 1.927 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.945 3.106 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.380 2.114 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.919 2.338 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.255 2.530 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.456 3.814 -4.822 1.00 0.00 H new ATOM 688 N SER A 51 7.410 5.481 -0.588 1.00 0.00 N ATOM 689 CA SER A 51 8.660 6.102 -0.076 1.00 0.00 C ATOM 690 C SER A 51 9.881 5.380 -0.650 1.00 0.00 C ATOM 691 O SER A 51 10.904 5.988 -0.897 1.00 0.00 O ATOM 692 CB SER A 51 8.685 6.004 1.448 1.00 0.00 C ATOM 693 OG SER A 51 9.056 7.263 1.995 1.00 0.00 O ATOM 0 H SER A 51 7.279 4.499 -0.345 1.00 0.00 H new ATOM 0 HA SER A 51 8.689 7.148 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.705 5.708 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.391 5.236 1.763 1.00 0.00 H new ATOM 0 HG SER A 51 9.071 7.203 2.973 1.00 0.00 H new ATOM 699 N HIS A 52 9.791 4.092 -0.860 1.00 0.00 N ATOM 700 CA HIS A 52 10.954 3.350 -1.408 1.00 0.00 C ATOM 701 C HIS A 52 10.723 1.843 -1.219 1.00 0.00 C ATOM 702 O HIS A 52 10.616 1.351 -0.115 1.00 0.00 O ATOM 703 CB HIS A 52 12.238 3.821 -0.682 1.00 0.00 C ATOM 704 CG HIS A 52 12.996 2.656 -0.096 1.00 0.00 C ATOM 705 ND1 HIS A 52 12.587 2.023 1.065 1.00 0.00 N ATOM 706 CD2 HIS A 52 14.120 1.986 -0.512 1.00 0.00 C ATOM 707 CE1 HIS A 52 13.445 1.018 1.304 1.00 0.00 C ATOM 708 NE2 HIS A 52 14.402 0.951 0.375 1.00 0.00 N ATOM 0 H HIS A 52 8.962 3.527 -0.675 1.00 0.00 H new ATOM 0 HA HIS A 52 11.070 3.546 -2.474 1.00 0.00 H new ATOM 0 HB2 HIS A 52 12.878 4.358 -1.382 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.974 4.521 0.110 1.00 0.00 H new ATOM 0 HD1 HIS A 52 11.780 2.274 1.636 1.00 0.00 H new ATOM 0 HD2 HIS A 52 14.697 2.225 -1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 52 13.370 0.345 2.146 1.00 0.00 H new ATOM 716 N PHE A 53 10.652 1.120 -2.297 1.00 0.00 N ATOM 717 CA PHE A 53 10.444 -0.358 -2.215 1.00 0.00 C ATOM 718 C PHE A 53 11.262 -0.932 -1.049 1.00 0.00 C ATOM 719 O PHE A 53 12.413 -0.591 -0.864 1.00 0.00 O ATOM 720 CB PHE A 53 10.925 -0.997 -3.521 1.00 0.00 C ATOM 721 CG PHE A 53 9.783 -1.707 -4.203 1.00 0.00 C ATOM 722 CD1 PHE A 53 9.068 -2.701 -3.524 1.00 0.00 C ATOM 723 CD2 PHE A 53 9.443 -1.375 -5.519 1.00 0.00 C ATOM 724 CE1 PHE A 53 8.013 -3.364 -4.163 1.00 0.00 C ATOM 725 CE2 PHE A 53 8.388 -2.037 -6.158 1.00 0.00 C ATOM 726 CZ PHE A 53 7.673 -3.031 -5.480 1.00 0.00 C ATOM 0 H PHE A 53 10.729 1.489 -3.245 1.00 0.00 H new ATOM 0 HA PHE A 53 9.387 -0.570 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.333 -0.231 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.730 -1.702 -3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.330 -2.956 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.995 -0.608 -6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.462 -4.132 -3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.126 -1.781 -7.174 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.859 -3.541 -5.973 1.00 0.00 H new ATOM 736 N GLY A 54 10.683 -1.806 -0.266 1.00 0.00 N ATOM 737 CA GLY A 54 11.441 -2.399 0.876 1.00 0.00 C ATOM 738 C GLY A 54 10.546 -2.466 2.117 1.00 0.00 C ATOM 739 O GLY A 54 9.387 -2.101 2.078 1.00 0.00 O ATOM 0 H GLY A 54 9.722 -2.133 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.789 -3.398 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.326 -1.799 1.087 1.00 0.00 H new ATOM 743 N LYS A 55 11.074 -2.923 3.221 1.00 0.00 N ATOM 744 CA LYS A 55 10.257 -3.000 4.463 1.00 0.00 C ATOM 745 C LYS A 55 10.434 -1.719 5.288 1.00 0.00 C ATOM 746 O LYS A 55 11.329 -1.618 6.105 1.00 0.00 O ATOM 747 CB LYS A 55 10.703 -4.205 5.292 1.00 0.00 C ATOM 748 CG LYS A 55 9.524 -4.706 6.125 1.00 0.00 C ATOM 749 CD LYS A 55 8.682 -5.669 5.287 1.00 0.00 C ATOM 750 CE LYS A 55 9.020 -7.109 5.673 1.00 0.00 C ATOM 751 NZ LYS A 55 7.978 -7.634 6.599 1.00 0.00 N ATOM 0 H LYS A 55 12.037 -3.246 3.315 1.00 0.00 H new ATOM 0 HA LYS A 55 9.207 -3.109 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.064 -4.998 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.532 -3.927 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.886 -5.208 7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.914 -3.865 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.621 -5.477 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.876 -5.510 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.076 -7.732 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.999 -7.148 6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.208 -8.614 6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.946 -7.045 7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.051 -7.611 6.128 1.00 0.00 H new ATOM 765 N CYS A 56 9.585 -0.745 5.097 1.00 0.00 N ATOM 766 CA CYS A 56 9.705 0.517 5.889 1.00 0.00 C ATOM 767 C CYS A 56 8.396 1.296 5.793 1.00 0.00 C ATOM 768 O CYS A 56 7.422 0.717 5.348 1.00 0.00 O ATOM 769 CB CYS A 56 10.857 1.403 5.374 1.00 0.00 C ATOM 770 SG CYS A 56 11.706 0.632 3.970 1.00 0.00 S ATOM 771 OXT CYS A 56 8.389 2.458 6.167 1.00 0.00 O ATOM 0 H CYS A 56 8.815 -0.767 4.429 1.00 0.00 H new ATOM 0 HA CYS A 56 9.918 0.248 6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.465 2.375 5.075 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.570 1.581 6.179 1.00 0.00 H new TER 776 CYS A 56