USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 378 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 Single : A 5 SER OG : rot -59:sc= 0.453 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 78:sc= -1.61! USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= 0.858 (180deg=0.154) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 70:sc= 0.284 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 117:sc= -2.18 USER MOD Single : A 31 TYR OH : rot 70:sc= -2.68! USER MOD Single : A 33 ASN : amide:sc= -0.706 K(o=-0.71,f=-8.4!) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0.0585 (180deg=0.0416) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -8.07! C(o=-9.2!,f=-8.1!) USER MOD Single : A 44 SER OG : rot 150:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.47! C(o=-2.5!,f=-2.8!) USER MOD Single : A 47 THR OG1 : rot 68:sc= 0.58 USER MOD Single : A 49 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 51 SER OG : rot -103:sc= 1.48 USER MOD Single : A 52 HIS : no HD1:sc= -1.03 K(o=-1,f=-3.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 5.176 9.907 -9.976 1.00 0.00 N ATOM 2 CA ALA A 3 3.785 10.282 -9.601 1.00 0.00 C ATOM 3 C ALA A 3 3.278 9.334 -8.510 1.00 0.00 C ATOM 4 O ALA A 3 2.686 9.751 -7.535 1.00 0.00 O ATOM 5 CB ALA A 3 2.878 10.179 -10.830 1.00 0.00 C ATOM 0 HA ALA A 3 3.773 11.306 -9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.860 10.454 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.239 10.854 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.889 9.156 -11.205 1.00 0.00 H new ATOM 13 N VAL A 4 3.511 8.059 -8.667 1.00 0.00 N ATOM 14 CA VAL A 4 3.043 7.085 -7.638 1.00 0.00 C ATOM 15 C VAL A 4 4.216 6.196 -7.217 1.00 0.00 C ATOM 16 O VAL A 4 5.348 6.425 -7.595 1.00 0.00 O ATOM 17 CB VAL A 4 1.913 6.206 -8.203 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.661 6.372 -7.340 1.00 0.00 C ATOM 19 CG2 VAL A 4 1.583 6.614 -9.646 1.00 0.00 C ATOM 0 H VAL A 4 4.004 7.650 -9.461 1.00 0.00 H new ATOM 0 HA VAL A 4 2.662 7.635 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 4 2.242 5.167 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.141 5.750 -7.739 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.881 6.068 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.349 7.416 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.782 5.982 -10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.264 7.656 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.469 6.494 -10.270 1.00 0.00 H new ATOM 29 N SER A 5 3.956 5.185 -6.433 1.00 0.00 N ATOM 30 CA SER A 5 5.056 4.284 -5.987 1.00 0.00 C ATOM 31 C SER A 5 5.972 5.037 -5.019 1.00 0.00 C ATOM 32 O SER A 5 6.530 6.065 -5.348 1.00 0.00 O ATOM 33 CB SER A 5 5.858 3.816 -7.207 1.00 0.00 C ATOM 34 OG SER A 5 7.188 4.316 -7.130 1.00 0.00 O ATOM 0 H SER A 5 3.029 4.944 -6.082 1.00 0.00 H new ATOM 0 HA SER A 5 4.635 3.416 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.871 2.727 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.381 4.165 -8.123 1.00 0.00 H new ATOM 0 HG SER A 5 7.168 5.295 -7.096 1.00 0.00 H new ATOM 40 N VAL A 6 6.131 4.532 -3.827 1.00 0.00 N ATOM 41 CA VAL A 6 7.013 5.217 -2.837 1.00 0.00 C ATOM 42 C VAL A 6 7.549 4.189 -1.842 1.00 0.00 C ATOM 43 O VAL A 6 7.235 3.018 -1.919 1.00 0.00 O ATOM 44 CB VAL A 6 6.223 6.287 -2.074 1.00 0.00 C ATOM 45 CG1 VAL A 6 7.118 7.505 -1.837 1.00 0.00 C ATOM 46 CG2 VAL A 6 4.996 6.712 -2.889 1.00 0.00 C ATOM 0 H VAL A 6 5.689 3.675 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 6 7.839 5.691 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 6 5.895 5.877 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.559 8.267 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.989 7.208 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.445 7.908 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.440 7.472 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.319 7.119 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.355 5.847 -3.060 1.00 0.00 H new ATOM 56 N ASP A 7 8.332 4.637 -0.898 1.00 0.00 N ATOM 57 CA ASP A 7 8.890 3.732 0.135 1.00 0.00 C ATOM 58 C ASP A 7 9.165 2.352 -0.467 1.00 0.00 C ATOM 59 O ASP A 7 9.750 2.237 -1.527 1.00 0.00 O ATOM 60 CB ASP A 7 7.874 3.672 1.265 1.00 0.00 C ATOM 61 CG ASP A 7 8.509 3.081 2.527 1.00 0.00 C ATOM 62 OD1 ASP A 7 9.726 3.054 2.598 1.00 0.00 O ATOM 63 OD2 ASP A 7 7.764 2.669 3.402 1.00 0.00 O ATOM 0 H ASP A 7 8.611 5.613 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 7 9.843 4.096 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.496 4.672 1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.020 3.066 0.962 1.00 0.00 H new ATOM 68 N CYS A 8 8.771 1.310 0.193 1.00 0.00 N ATOM 69 CA CYS A 8 9.030 -0.055 -0.344 1.00 0.00 C ATOM 70 C CYS A 8 10.532 -0.329 -0.268 1.00 0.00 C ATOM 71 O CYS A 8 11.098 -1.010 -1.100 1.00 0.00 O ATOM 72 CB CYS A 8 8.565 -0.129 -1.800 1.00 0.00 C ATOM 73 SG CYS A 8 7.118 -1.208 -1.916 1.00 0.00 S ATOM 0 H CYS A 8 8.278 1.339 1.086 1.00 0.00 H new ATOM 0 HA CYS A 8 8.486 -0.798 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.319 0.868 -2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.368 -0.511 -2.431 1.00 0.00 H new ATOM 78 N SER A 9 11.180 0.220 0.722 1.00 0.00 N ATOM 79 CA SER A 9 12.651 0.025 0.869 1.00 0.00 C ATOM 80 C SER A 9 12.995 -1.466 0.948 1.00 0.00 C ATOM 81 O SER A 9 13.832 -1.955 0.215 1.00 0.00 O ATOM 82 CB SER A 9 13.122 0.718 2.148 1.00 0.00 C ATOM 83 OG SER A 9 12.980 2.126 1.998 1.00 0.00 O ATOM 0 H SER A 9 10.750 0.801 1.442 1.00 0.00 H new ATOM 0 HA SER A 9 13.151 0.453 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.538 0.370 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.163 0.465 2.351 1.00 0.00 H new ATOM 0 HG SER A 9 13.279 2.574 2.817 1.00 0.00 H new ATOM 89 N GLU A 10 12.378 -2.192 1.842 1.00 0.00 N ATOM 90 CA GLU A 10 12.703 -3.642 1.966 1.00 0.00 C ATOM 91 C GLU A 10 11.429 -4.455 2.223 1.00 0.00 C ATOM 92 O GLU A 10 11.211 -4.952 3.310 1.00 0.00 O ATOM 93 CB GLU A 10 13.672 -3.843 3.135 1.00 0.00 C ATOM 94 CG GLU A 10 12.976 -3.462 4.446 1.00 0.00 C ATOM 95 CD GLU A 10 14.012 -2.943 5.446 1.00 0.00 C ATOM 96 OE1 GLU A 10 15.022 -2.419 5.006 1.00 0.00 O ATOM 97 OE2 GLU A 10 13.775 -3.077 6.635 1.00 0.00 O ATOM 0 H GLU A 10 11.668 -1.846 2.487 1.00 0.00 H new ATOM 0 HA GLU A 10 13.159 -3.983 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.001 -4.881 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.563 -3.231 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.221 -2.698 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.458 -4.328 4.860 1.00 0.00 H new ATOM 104 N TYR A 11 10.593 -4.612 1.235 1.00 0.00 N ATOM 105 CA TYR A 11 9.350 -5.411 1.437 1.00 0.00 C ATOM 106 C TYR A 11 9.545 -6.798 0.813 1.00 0.00 C ATOM 107 O TYR A 11 10.351 -6.961 -0.081 1.00 0.00 O ATOM 108 CB TYR A 11 8.161 -4.696 0.789 1.00 0.00 C ATOM 109 CG TYR A 11 7.555 -3.737 1.789 1.00 0.00 C ATOM 110 CD1 TYR A 11 8.139 -2.481 1.993 1.00 0.00 C ATOM 111 CD2 TYR A 11 6.414 -4.102 2.519 1.00 0.00 C ATOM 112 CE1 TYR A 11 7.586 -1.590 2.919 1.00 0.00 C ATOM 113 CE2 TYR A 11 5.861 -3.209 3.448 1.00 0.00 C ATOM 114 CZ TYR A 11 6.447 -1.955 3.647 1.00 0.00 C ATOM 115 OH TYR A 11 5.902 -1.078 4.563 1.00 0.00 O ATOM 0 H TYR A 11 10.715 -4.224 0.300 1.00 0.00 H new ATOM 0 HA TYR A 11 9.147 -5.519 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.486 -4.156 -0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.416 -5.423 0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.019 -2.199 1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.962 -5.071 2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.037 -0.621 3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.982 -3.490 4.010 1.00 0.00 H new ATOM 0 HH TYR A 11 5.385 -0.392 4.091 1.00 0.00 H new ATOM 125 N PRO A 12 8.822 -7.765 1.322 1.00 0.00 N ATOM 126 CA PRO A 12 7.845 -7.560 2.407 1.00 0.00 C ATOM 127 C PRO A 12 8.551 -7.366 3.753 1.00 0.00 C ATOM 128 O PRO A 12 9.665 -7.809 3.954 1.00 0.00 O ATOM 129 CB PRO A 12 7.017 -8.850 2.390 1.00 0.00 C ATOM 130 CG PRO A 12 7.897 -9.923 1.708 1.00 0.00 C ATOM 131 CD PRO A 12 8.933 -9.163 0.861 1.00 0.00 C ATOM 0 HA PRO A 12 7.235 -6.667 2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.749 -9.153 3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.085 -8.707 1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.389 -10.551 2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.293 -10.581 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.938 -9.555 1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.717 -9.250 -0.204 1.00 0.00 H new ATOM 139 N LYS A 13 7.912 -6.690 4.671 1.00 0.00 N ATOM 140 CA LYS A 13 8.541 -6.448 6.000 1.00 0.00 C ATOM 141 C LYS A 13 8.168 -7.576 6.966 1.00 0.00 C ATOM 142 O LYS A 13 7.181 -8.259 6.770 1.00 0.00 O ATOM 143 CB LYS A 13 8.041 -5.111 6.551 1.00 0.00 C ATOM 144 CG LYS A 13 8.452 -3.988 5.596 1.00 0.00 C ATOM 145 CD LYS A 13 8.471 -2.654 6.344 1.00 0.00 C ATOM 146 CE LYS A 13 9.877 -2.057 6.276 1.00 0.00 C ATOM 147 NZ LYS A 13 9.958 -1.118 5.122 1.00 0.00 N ATOM 0 H LYS A 13 6.979 -6.294 4.556 1.00 0.00 H new ATOM 0 HA LYS A 13 9.625 -6.420 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.957 -5.132 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.459 -4.933 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.437 -4.195 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.755 -3.936 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.750 -1.966 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.176 -2.802 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.107 -1.532 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.616 -2.850 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.913 -1.155 4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.260 -1.392 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.758 -0.151 5.447 1.00 0.00 H new ATOM 161 N PRO A 14 8.982 -7.744 7.978 1.00 0.00 N ATOM 162 CA PRO A 14 8.778 -8.787 8.998 1.00 0.00 C ATOM 163 C PRO A 14 7.704 -8.368 10.009 1.00 0.00 C ATOM 164 O PRO A 14 7.517 -9.012 11.022 1.00 0.00 O ATOM 165 CB PRO A 14 10.147 -8.898 9.674 1.00 0.00 C ATOM 166 CG PRO A 14 10.877 -7.558 9.409 1.00 0.00 C ATOM 167 CD PRO A 14 10.182 -6.908 8.199 1.00 0.00 C ATOM 0 HA PRO A 14 8.433 -9.730 8.574 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.038 -9.076 10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.714 -9.736 9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.822 -6.908 10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.934 -7.727 9.204 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.913 -5.872 8.403 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.830 -6.902 7.323 1.00 0.00 H new ATOM 175 N ALA A 15 6.998 -7.300 9.750 1.00 0.00 N ATOM 176 CA ALA A 15 5.945 -6.867 10.713 1.00 0.00 C ATOM 177 C ALA A 15 5.426 -5.475 10.338 1.00 0.00 C ATOM 178 O ALA A 15 6.185 -4.538 10.190 1.00 0.00 O ATOM 179 CB ALA A 15 6.536 -6.823 12.123 1.00 0.00 C ATOM 0 H ALA A 15 7.103 -6.714 8.922 1.00 0.00 H new ATOM 0 HA ALA A 15 5.118 -7.576 10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.769 -6.507 12.829 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.896 -7.815 12.398 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.365 -6.116 12.148 1.00 0.00 H new ATOM 185 N CYS A 16 4.134 -5.336 10.198 1.00 0.00 N ATOM 186 CA CYS A 16 3.554 -4.008 9.847 1.00 0.00 C ATOM 187 C CYS A 16 3.272 -3.229 11.134 1.00 0.00 C ATOM 188 O CYS A 16 3.745 -3.579 12.197 1.00 0.00 O ATOM 189 CB CYS A 16 2.242 -4.210 9.081 1.00 0.00 C ATOM 190 SG CYS A 16 2.591 -4.829 7.417 1.00 0.00 S ATOM 0 H CYS A 16 3.454 -6.088 10.312 1.00 0.00 H new ATOM 0 HA CYS A 16 4.257 -3.454 9.225 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.604 -4.915 9.614 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.697 -3.268 9.021 1.00 0.00 H new ATOM 195 N THR A 17 2.500 -2.181 11.051 1.00 0.00 N ATOM 196 CA THR A 17 2.182 -1.387 12.271 1.00 0.00 C ATOM 197 C THR A 17 0.706 -0.988 12.243 1.00 0.00 C ATOM 198 O THR A 17 0.023 -1.167 11.253 1.00 0.00 O ATOM 199 CB THR A 17 3.051 -0.127 12.300 1.00 0.00 C ATOM 200 OG1 THR A 17 3.300 0.305 10.970 1.00 0.00 O ATOM 201 CG2 THR A 17 4.379 -0.437 12.994 1.00 0.00 C ATOM 0 H THR A 17 2.075 -1.840 10.189 1.00 0.00 H new ATOM 0 HA THR A 17 2.382 -1.986 13.160 1.00 0.00 H new ATOM 0 HB THR A 17 2.532 0.660 12.847 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.855 1.113 10.987 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.997 0.461 13.014 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.187 -0.769 14.014 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.900 -1.224 12.448 1.00 0.00 H new ATOM 209 N MET A 18 0.203 -0.448 13.321 1.00 0.00 N ATOM 210 CA MET A 18 -1.230 -0.040 13.348 1.00 0.00 C ATOM 211 C MET A 18 -1.368 1.373 12.774 1.00 0.00 C ATOM 212 O MET A 18 -2.377 2.028 12.949 1.00 0.00 O ATOM 213 CB MET A 18 -1.744 -0.057 14.791 1.00 0.00 C ATOM 214 CG MET A 18 -1.669 -1.481 15.343 1.00 0.00 C ATOM 215 SD MET A 18 -2.062 -1.465 17.110 1.00 0.00 S ATOM 216 CE MET A 18 -3.762 -2.066 16.966 1.00 0.00 C ATOM 0 H MET A 18 0.722 -0.272 14.182 1.00 0.00 H new ATOM 0 HA MET A 18 -1.816 -0.737 12.748 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.148 0.615 15.408 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.772 0.304 14.826 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.367 -2.126 14.810 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.672 -1.892 15.185 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.209 -2.135 17.958 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.342 -1.375 16.354 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.761 -3.051 16.499 1.00 0.00 H new ATOM 226 N GLU A 19 -0.363 1.850 12.092 1.00 0.00 N ATOM 227 CA GLU A 19 -0.437 3.216 11.506 1.00 0.00 C ATOM 228 C GLU A 19 -1.710 3.338 10.666 1.00 0.00 C ATOM 229 O GLU A 19 -2.272 2.351 10.233 1.00 0.00 O ATOM 230 CB GLU A 19 0.787 3.453 10.618 1.00 0.00 C ATOM 231 CG GLU A 19 0.720 4.857 10.013 1.00 0.00 C ATOM 232 CD GLU A 19 2.128 5.310 9.622 1.00 0.00 C ATOM 233 OE1 GLU A 19 2.745 4.633 8.818 1.00 0.00 O ATOM 234 OE2 GLU A 19 2.563 6.329 10.134 1.00 0.00 O ATOM 0 H GLU A 19 0.508 1.350 11.915 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.456 3.958 12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.700 3.342 11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.823 2.706 9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.070 4.857 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.288 5.554 10.731 1.00 0.00 H new ATOM 241 N TYR A 20 -2.173 4.535 10.429 1.00 0.00 N ATOM 242 CA TYR A 20 -3.409 4.697 9.617 1.00 0.00 C ATOM 243 C TYR A 20 -3.086 5.440 8.325 1.00 0.00 C ATOM 244 O TYR A 20 -2.732 6.603 8.328 1.00 0.00 O ATOM 245 CB TYR A 20 -4.458 5.481 10.401 1.00 0.00 C ATOM 246 CG TYR A 20 -5.829 4.945 10.066 1.00 0.00 C ATOM 247 CD1 TYR A 20 -6.268 3.744 10.636 1.00 0.00 C ATOM 248 CD2 TYR A 20 -6.657 5.643 9.177 1.00 0.00 C ATOM 249 CE1 TYR A 20 -7.536 3.241 10.318 1.00 0.00 C ATOM 250 CE2 TYR A 20 -7.926 5.140 8.861 1.00 0.00 C ATOM 251 CZ TYR A 20 -8.364 3.939 9.432 1.00 0.00 C ATOM 252 OH TYR A 20 -9.612 3.441 9.116 1.00 0.00 O ATOM 0 H TYR A 20 -1.751 5.402 10.761 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.803 3.708 9.382 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.271 5.393 11.471 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.398 6.541 10.153 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.629 3.206 11.321 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.317 6.568 8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.875 2.314 10.757 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.566 5.678 8.177 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.057 4.048 8.489 1.00 0.00 H new ATOM 262 N ARG A 21 -3.216 4.770 7.220 1.00 0.00 N ATOM 263 CA ARG A 21 -2.934 5.411 5.908 1.00 0.00 C ATOM 264 C ARG A 21 -3.777 4.712 4.837 1.00 0.00 C ATOM 265 O ARG A 21 -3.418 3.649 4.368 1.00 0.00 O ATOM 266 CB ARG A 21 -1.447 5.263 5.575 1.00 0.00 C ATOM 267 CG ARG A 21 -0.647 6.320 6.339 1.00 0.00 C ATOM 268 CD ARG A 21 0.651 6.624 5.587 1.00 0.00 C ATOM 269 NE ARG A 21 0.892 8.095 5.584 1.00 0.00 N ATOM 270 CZ ARG A 21 1.663 8.632 6.493 1.00 0.00 C ATOM 271 NH1 ARG A 21 1.216 8.807 7.706 1.00 0.00 N ATOM 272 NH2 ARG A 21 2.879 8.992 6.187 1.00 0.00 N ATOM 0 H ARG A 21 -3.509 3.794 7.167 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.183 6.471 5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.101 4.265 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.290 5.377 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.238 7.230 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.422 5.964 7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.487 6.109 6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.586 6.253 4.564 1.00 0.00 H new ATOM 0 HE ARG A 21 0.456 8.682 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.265 8.525 7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.817 9.226 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.228 8.855 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.481 9.411 6.896 1.00 0.00 H new ATOM 286 N PRO A 22 -4.880 5.324 4.490 1.00 0.00 N ATOM 287 CA PRO A 22 -5.805 4.773 3.485 1.00 0.00 C ATOM 288 C PRO A 22 -5.235 4.963 2.080 1.00 0.00 C ATOM 289 O PRO A 22 -5.158 6.064 1.571 1.00 0.00 O ATOM 290 CB PRO A 22 -7.084 5.588 3.685 1.00 0.00 C ATOM 291 CG PRO A 22 -6.658 6.902 4.380 1.00 0.00 C ATOM 292 CD PRO A 22 -5.305 6.619 5.059 1.00 0.00 C ATOM 0 HA PRO A 22 -5.976 3.702 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.568 5.793 2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.802 5.041 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.567 7.712 3.656 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.403 7.212 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.580 7.405 4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.407 6.564 6.143 1.00 0.00 H new ATOM 300 N LEU A 23 -4.832 3.896 1.452 1.00 0.00 N ATOM 301 CA LEU A 23 -4.262 4.006 0.083 1.00 0.00 C ATOM 302 C LEU A 23 -5.202 3.323 -0.916 1.00 0.00 C ATOM 303 O LEU A 23 -5.571 2.178 -0.750 1.00 0.00 O ATOM 304 CB LEU A 23 -2.893 3.321 0.057 1.00 0.00 C ATOM 305 CG LEU A 23 -1.810 4.322 0.461 1.00 0.00 C ATOM 306 CD1 LEU A 23 -0.697 3.590 1.209 1.00 0.00 C ATOM 307 CD2 LEU A 23 -1.232 4.984 -0.792 1.00 0.00 C ATOM 0 H LEU A 23 -4.873 2.949 1.829 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.151 5.055 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.888 2.470 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.689 2.932 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.243 5.086 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.076 4.302 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.108 3.118 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.264 2.827 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.460 5.697 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.798 4.222 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.026 5.505 -1.327 1.00 0.00 H new ATOM 319 N CYS A 24 -5.594 4.016 -1.952 1.00 0.00 N ATOM 320 CA CYS A 24 -6.513 3.397 -2.951 1.00 0.00 C ATOM 321 C CYS A 24 -5.689 2.697 -4.036 1.00 0.00 C ATOM 322 O CYS A 24 -5.434 3.249 -5.086 1.00 0.00 O ATOM 323 CB CYS A 24 -7.380 4.481 -3.595 1.00 0.00 C ATOM 324 SG CYS A 24 -8.545 3.713 -4.747 1.00 0.00 S ATOM 0 H CYS A 24 -5.319 4.978 -2.149 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.153 2.671 -2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.922 5.033 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.752 5.200 -4.121 1.00 0.00 H new ATOM 329 N GLY A 25 -5.270 1.486 -3.783 1.00 0.00 N ATOM 330 CA GLY A 25 -4.459 0.745 -4.791 1.00 0.00 C ATOM 331 C GLY A 25 -5.066 0.926 -6.182 1.00 0.00 C ATOM 332 O GLY A 25 -6.254 1.147 -6.327 1.00 0.00 O ATOM 0 H GLY A 25 -5.455 0.977 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.432 1.109 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.424 -0.314 -4.535 1.00 0.00 H new ATOM 336 N SER A 26 -4.257 0.828 -7.209 1.00 0.00 N ATOM 337 CA SER A 26 -4.769 0.992 -8.602 1.00 0.00 C ATOM 338 C SER A 26 -6.004 0.113 -8.824 1.00 0.00 C ATOM 339 O SER A 26 -6.760 0.320 -9.752 1.00 0.00 O ATOM 340 CB SER A 26 -3.676 0.582 -9.592 1.00 0.00 C ATOM 341 OG SER A 26 -3.590 1.555 -10.624 1.00 0.00 O ATOM 0 H SER A 26 -3.257 0.640 -7.139 1.00 0.00 H new ATOM 0 HA SER A 26 -5.044 2.035 -8.757 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.719 0.494 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.902 -0.396 -10.016 1.00 0.00 H new ATOM 0 HG SER A 26 -3.222 2.387 -10.259 1.00 0.00 H new ATOM 347 N ASP A 27 -6.221 -0.863 -7.987 1.00 0.00 N ATOM 348 CA ASP A 27 -7.410 -1.746 -8.161 1.00 0.00 C ATOM 349 C ASP A 27 -8.639 -1.101 -7.509 1.00 0.00 C ATOM 350 O ASP A 27 -9.597 -1.770 -7.177 1.00 0.00 O ATOM 351 CB ASP A 27 -7.138 -3.096 -7.499 1.00 0.00 C ATOM 352 CG ASP A 27 -7.163 -2.935 -5.978 1.00 0.00 C ATOM 353 OD1 ASP A 27 -7.065 -1.809 -5.519 1.00 0.00 O ATOM 354 OD2 ASP A 27 -7.279 -3.941 -5.297 1.00 0.00 O ATOM 0 H ASP A 27 -5.627 -1.088 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.600 -1.887 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.888 -3.823 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.169 -3.481 -7.818 1.00 0.00 H new ATOM 359 N ASN A 28 -8.621 0.190 -7.323 1.00 0.00 N ATOM 360 CA ASN A 28 -9.787 0.869 -6.694 1.00 0.00 C ATOM 361 C ASN A 28 -10.057 0.247 -5.324 1.00 0.00 C ATOM 362 O ASN A 28 -11.190 0.058 -4.928 1.00 0.00 O ATOM 363 CB ASN A 28 -11.021 0.698 -7.585 1.00 0.00 C ATOM 364 CG ASN A 28 -11.708 2.051 -7.771 1.00 0.00 C ATOM 365 OD1 ASN A 28 -12.250 2.605 -6.836 1.00 0.00 O ATOM 366 ND2 ASN A 28 -11.708 2.611 -8.950 1.00 0.00 N ATOM 0 H ASN A 28 -7.848 0.804 -7.580 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.570 1.931 -6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.730 0.290 -8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.712 -0.014 -7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.163 3.514 -9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.253 2.146 -9.735 1.00 0.00 H new ATOM 373 N LYS A 29 -9.023 -0.077 -4.594 1.00 0.00 N ATOM 374 CA LYS A 29 -9.227 -0.689 -3.253 1.00 0.00 C ATOM 375 C LYS A 29 -8.483 0.122 -2.197 1.00 0.00 C ATOM 376 O LYS A 29 -7.398 0.604 -2.427 1.00 0.00 O ATOM 377 CB LYS A 29 -8.696 -2.123 -3.262 1.00 0.00 C ATOM 378 CG LYS A 29 -9.545 -2.985 -2.329 1.00 0.00 C ATOM 379 CD LYS A 29 -8.656 -3.597 -1.245 1.00 0.00 C ATOM 380 CE LYS A 29 -9.528 -4.149 -0.115 1.00 0.00 C ATOM 381 NZ LYS A 29 -8.665 -4.837 0.886 1.00 0.00 N ATOM 0 H LYS A 29 -8.050 0.056 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.291 -0.695 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.725 -2.527 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.654 -2.139 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.329 -2.381 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.040 -3.774 -2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.045 -4.394 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.971 -2.844 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.081 -3.339 0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.264 -4.845 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.256 -5.213 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.156 -5.619 0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.979 -4.160 1.277 1.00 0.00 H new ATOM 395 N THR A 30 -9.057 0.277 -1.037 1.00 0.00 N ATOM 396 CA THR A 30 -8.371 1.060 0.029 1.00 0.00 C ATOM 397 C THR A 30 -7.372 0.158 0.757 1.00 0.00 C ATOM 398 O THR A 30 -7.541 -1.042 0.831 1.00 0.00 O ATOM 399 CB THR A 30 -9.407 1.587 1.024 1.00 0.00 C ATOM 400 OG1 THR A 30 -10.325 2.432 0.344 1.00 0.00 O ATOM 401 CG2 THR A 30 -8.700 2.377 2.127 1.00 0.00 C ATOM 0 H THR A 30 -9.968 -0.103 -0.781 1.00 0.00 H new ATOM 0 HA THR A 30 -7.842 1.901 -0.419 1.00 0.00 H new ATOM 0 HB THR A 30 -9.945 0.750 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.223 2.042 0.388 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.438 2.752 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.996 1.727 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.161 3.216 1.686 1.00 0.00 H new ATOM 409 N TYR A 31 -6.324 0.728 1.288 1.00 0.00 N ATOM 410 CA TYR A 31 -5.311 -0.092 2.001 1.00 0.00 C ATOM 411 C TYR A 31 -5.200 0.370 3.452 1.00 0.00 C ATOM 412 O TYR A 31 -5.522 1.495 3.786 1.00 0.00 O ATOM 413 CB TYR A 31 -3.966 0.060 1.294 1.00 0.00 C ATOM 414 CG TYR A 31 -3.820 -1.034 0.265 1.00 0.00 C ATOM 415 CD1 TYR A 31 -3.983 -2.375 0.637 1.00 0.00 C ATOM 416 CD2 TYR A 31 -3.532 -0.708 -1.066 1.00 0.00 C ATOM 417 CE1 TYR A 31 -3.859 -3.387 -0.322 1.00 0.00 C ATOM 418 CE2 TYR A 31 -3.411 -1.719 -2.025 1.00 0.00 C ATOM 419 CZ TYR A 31 -3.574 -3.059 -1.654 1.00 0.00 C ATOM 420 OH TYR A 31 -3.457 -4.054 -2.601 1.00 0.00 O ATOM 0 H TYR A 31 -6.128 1.729 1.257 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.609 -1.140 1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.902 1.037 0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.153 0.006 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.204 -2.628 1.663 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.403 0.325 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.983 -4.421 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.192 -1.466 -3.052 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.338 -4.449 -2.771 1.00 0.00 H new ATOM 430 N GLY A 32 -4.754 -0.496 4.316 1.00 0.00 N ATOM 431 CA GLY A 32 -4.627 -0.125 5.752 1.00 0.00 C ATOM 432 C GLY A 32 -3.463 0.847 5.931 1.00 0.00 C ATOM 433 O GLY A 32 -3.467 1.675 6.821 1.00 0.00 O ATOM 0 H GLY A 32 -4.471 -1.449 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.552 0.332 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.464 -1.018 6.355 1.00 0.00 H new ATOM 437 N ASN A 33 -2.468 0.762 5.091 1.00 0.00 N ATOM 438 CA ASN A 33 -1.311 1.691 5.218 1.00 0.00 C ATOM 439 C ASN A 33 -0.234 1.326 4.191 1.00 0.00 C ATOM 440 O ASN A 33 -0.434 0.494 3.329 1.00 0.00 O ATOM 441 CB ASN A 33 -0.722 1.602 6.633 1.00 0.00 C ATOM 442 CG ASN A 33 -0.281 0.167 6.924 1.00 0.00 C ATOM 443 OD1 ASN A 33 -0.464 -0.711 6.110 1.00 0.00 O ATOM 444 ND2 ASN A 33 0.298 -0.107 8.062 1.00 0.00 N ATOM 0 H ASN A 33 -2.407 0.092 4.325 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.654 2.709 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.127 2.279 6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.464 1.919 7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.596 -1.061 8.266 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.452 0.633 8.747 1.00 0.00 H new ATOM 451 N LYS A 34 0.901 1.959 4.279 1.00 0.00 N ATOM 452 CA LYS A 34 2.006 1.685 3.313 1.00 0.00 C ATOM 453 C LYS A 34 2.564 0.273 3.517 1.00 0.00 C ATOM 454 O LYS A 34 3.193 -0.278 2.635 1.00 0.00 O ATOM 455 CB LYS A 34 3.125 2.703 3.526 1.00 0.00 C ATOM 456 CG LYS A 34 3.738 2.507 4.915 1.00 0.00 C ATOM 457 CD LYS A 34 5.253 2.706 4.839 1.00 0.00 C ATOM 458 CE LYS A 34 5.617 4.075 5.417 1.00 0.00 C ATOM 459 NZ LYS A 34 5.901 5.024 4.304 1.00 0.00 N ATOM 0 H LYS A 34 1.115 2.663 4.986 1.00 0.00 H new ATOM 0 HA LYS A 34 1.613 1.764 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.890 2.583 2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.733 3.715 3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.303 3.216 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.510 1.508 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.762 1.918 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.588 2.635 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.799 4.452 6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.488 3.988 6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.294 5.905 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.587 4.597 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.020 5.233 3.793 1.00 0.00 H new ATOM 473 N CYS A 35 2.349 -0.328 4.657 1.00 0.00 N ATOM 474 CA CYS A 35 2.881 -1.698 4.869 1.00 0.00 C ATOM 475 C CYS A 35 1.965 -2.690 4.155 1.00 0.00 C ATOM 476 O CYS A 35 2.392 -3.723 3.679 1.00 0.00 O ATOM 477 CB CYS A 35 2.916 -2.002 6.362 1.00 0.00 C ATOM 478 SG CYS A 35 3.901 -3.494 6.653 1.00 0.00 S ATOM 0 H CYS A 35 1.832 0.069 5.442 1.00 0.00 H new ATOM 0 HA CYS A 35 3.892 -1.778 4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.344 -1.159 6.905 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.903 -2.143 6.739 1.00 0.00 H new ATOM 483 N ASN A 36 0.708 -2.361 4.058 1.00 0.00 N ATOM 484 CA ASN A 36 -0.250 -3.247 3.357 1.00 0.00 C ATOM 485 C ASN A 36 -0.199 -2.919 1.867 1.00 0.00 C ATOM 486 O ASN A 36 -0.668 -3.669 1.031 1.00 0.00 O ATOM 487 CB ASN A 36 -1.652 -2.970 3.893 1.00 0.00 C ATOM 488 CG ASN A 36 -2.314 -4.282 4.301 1.00 0.00 C ATOM 489 OD1 ASN A 36 -2.793 -5.024 3.466 1.00 0.00 O ATOM 490 ND2 ASN A 36 -2.360 -4.602 5.563 1.00 0.00 N ATOM 0 H ASN A 36 0.303 -1.506 4.440 1.00 0.00 H new ATOM 0 HA ASN A 36 0.001 -4.296 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.598 -2.297 4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.251 -2.470 3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.799 -5.476 5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.957 -3.978 6.262 1.00 0.00 H new ATOM 497 N PHE A 37 0.369 -1.791 1.535 1.00 0.00 N ATOM 498 CA PHE A 37 0.466 -1.379 0.109 1.00 0.00 C ATOM 499 C PHE A 37 1.687 -2.038 -0.533 1.00 0.00 C ATOM 500 O PHE A 37 1.603 -2.620 -1.596 1.00 0.00 O ATOM 501 CB PHE A 37 0.619 0.142 0.041 1.00 0.00 C ATOM 502 CG PHE A 37 0.703 0.574 -1.402 1.00 0.00 C ATOM 503 CD1 PHE A 37 -0.417 0.460 -2.234 1.00 0.00 C ATOM 504 CD2 PHE A 37 1.903 1.087 -1.909 1.00 0.00 C ATOM 505 CE1 PHE A 37 -0.338 0.859 -3.574 1.00 0.00 C ATOM 506 CE2 PHE A 37 1.985 1.485 -3.248 1.00 0.00 C ATOM 507 CZ PHE A 37 0.863 1.371 -4.080 1.00 0.00 C ATOM 0 H PHE A 37 0.774 -1.132 2.200 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.433 -1.688 -0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.228 0.626 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.515 0.453 0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.342 0.064 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.766 1.176 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.202 0.772 -4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.911 1.879 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.925 1.679 -5.113 1.00 0.00 H new ATOM 517 N CYS A 38 2.824 -1.947 0.102 1.00 0.00 N ATOM 518 CA CYS A 38 4.046 -2.566 -0.475 1.00 0.00 C ATOM 519 C CYS A 38 3.922 -4.082 -0.396 1.00 0.00 C ATOM 520 O CYS A 38 4.374 -4.798 -1.266 1.00 0.00 O ATOM 521 CB CYS A 38 5.279 -2.110 0.304 1.00 0.00 C ATOM 522 SG CYS A 38 5.914 -0.578 -0.422 1.00 0.00 S ATOM 0 H CYS A 38 2.957 -1.471 0.994 1.00 0.00 H new ATOM 0 HA CYS A 38 4.152 -2.259 -1.515 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.023 -1.951 1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.046 -2.884 0.278 1.00 0.00 H new ATOM 527 N ASN A 39 3.304 -4.580 0.635 1.00 0.00 N ATOM 528 CA ASN A 39 3.143 -6.053 0.753 1.00 0.00 C ATOM 529 C ASN A 39 2.041 -6.500 -0.198 1.00 0.00 C ATOM 530 O ASN A 39 2.175 -7.478 -0.903 1.00 0.00 O ATOM 531 CB ASN A 39 2.767 -6.421 2.187 1.00 0.00 C ATOM 532 CG ASN A 39 4.025 -6.454 3.053 1.00 0.00 C ATOM 533 OD1 ASN A 39 4.739 -7.544 3.100 1.00 0.00 O flip ATOM 534 ND2 ASN A 39 4.363 -5.478 3.692 1.00 0.00 N flip ATOM 0 H ASN A 39 2.905 -4.034 1.398 1.00 0.00 H new ATOM 0 HA ASN A 39 4.079 -6.549 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.058 -5.696 2.585 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.274 -7.393 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.804 -4.626 3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.206 -5.511 4.266 1.00 0.00 H new ATOM 541 N ALA A 40 0.963 -5.774 -0.247 1.00 0.00 N ATOM 542 CA ALA A 40 -0.120 -6.151 -1.187 1.00 0.00 C ATOM 543 C ALA A 40 0.481 -6.155 -2.588 1.00 0.00 C ATOM 544 O ALA A 40 -0.004 -6.810 -3.489 1.00 0.00 O ATOM 545 CB ALA A 40 -1.253 -5.130 -1.113 1.00 0.00 C ATOM 0 H ALA A 40 0.787 -4.943 0.318 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.527 -7.130 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.045 -5.414 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.652 -5.102 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.873 -4.144 -1.381 1.00 0.00 H new ATOM 551 N VAL A 41 1.556 -5.432 -2.762 1.00 0.00 N ATOM 552 CA VAL A 41 2.227 -5.389 -4.088 1.00 0.00 C ATOM 553 C VAL A 41 2.952 -6.718 -4.310 1.00 0.00 C ATOM 554 O VAL A 41 2.986 -7.241 -5.406 1.00 0.00 O ATOM 555 CB VAL A 41 3.234 -4.227 -4.115 1.00 0.00 C ATOM 556 CG1 VAL A 41 4.311 -4.481 -5.176 1.00 0.00 C ATOM 557 CG2 VAL A 41 2.498 -2.928 -4.448 1.00 0.00 C ATOM 0 H VAL A 41 1.998 -4.867 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 41 1.493 -5.235 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 41 3.709 -4.148 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.017 -3.651 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.840 -5.405 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.843 -4.568 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.209 -2.102 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.021 -3.020 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.739 -2.735 -3.690 1.00 0.00 H new ATOM 567 N VAL A 42 3.527 -7.274 -3.278 1.00 0.00 N ATOM 568 CA VAL A 42 4.234 -8.573 -3.440 1.00 0.00 C ATOM 569 C VAL A 42 3.223 -9.715 -3.315 1.00 0.00 C ATOM 570 O VAL A 42 3.525 -10.858 -3.592 1.00 0.00 O ATOM 571 CB VAL A 42 5.314 -8.712 -2.366 1.00 0.00 C ATOM 572 CG1 VAL A 42 6.072 -10.026 -2.570 1.00 0.00 C ATOM 573 CG2 VAL A 42 6.292 -7.539 -2.481 1.00 0.00 C ATOM 0 H VAL A 42 3.537 -6.886 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 42 4.706 -8.613 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 42 4.851 -8.710 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.842 -10.125 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.377 -10.862 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.538 -10.028 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.064 -7.633 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.755 -7.546 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.754 -6.602 -2.339 1.00 0.00 H new ATOM 583 N GLU A 43 2.020 -9.410 -2.908 1.00 0.00 N ATOM 584 CA GLU A 43 0.981 -10.470 -2.777 1.00 0.00 C ATOM 585 C GLU A 43 0.112 -10.472 -4.036 1.00 0.00 C ATOM 586 O GLU A 43 -0.702 -11.350 -4.240 1.00 0.00 O ATOM 587 CB GLU A 43 0.106 -10.182 -1.554 1.00 0.00 C ATOM 588 CG GLU A 43 0.990 -10.009 -0.317 1.00 0.00 C ATOM 589 CD GLU A 43 0.504 -10.946 0.793 1.00 0.00 C ATOM 590 OE1 GLU A 43 0.479 -12.144 0.563 1.00 0.00 O ATOM 591 OE2 GLU A 43 0.164 -10.449 1.854 1.00 0.00 O ATOM 0 H GLU A 43 1.712 -8.470 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 43 1.460 -11.442 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.483 -9.280 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.598 -10.999 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.028 -10.230 -0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.957 -8.975 0.025 1.00 0.00 H new ATOM 598 N SER A 44 0.279 -9.490 -4.881 1.00 0.00 N ATOM 599 CA SER A 44 -0.535 -9.431 -6.127 1.00 0.00 C ATOM 600 C SER A 44 0.362 -9.700 -7.338 1.00 0.00 C ATOM 601 O SER A 44 0.042 -9.335 -8.449 1.00 0.00 O ATOM 602 CB SER A 44 -1.167 -8.045 -6.261 1.00 0.00 C ATOM 603 OG SER A 44 -2.581 -8.180 -6.345 1.00 0.00 O ATOM 0 H SER A 44 0.945 -8.726 -4.761 1.00 0.00 H new ATOM 0 HA SER A 44 -1.320 -10.186 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.899 -7.426 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.785 -7.542 -7.149 1.00 0.00 H new ATOM 0 HG SER A 44 -3.009 -7.386 -5.961 1.00 0.00 H new ATOM 609 N ASN A 45 1.478 -10.345 -7.125 1.00 0.00 N ATOM 610 CA ASN A 45 2.396 -10.656 -8.247 1.00 0.00 C ATOM 611 C ASN A 45 3.147 -9.394 -8.679 1.00 0.00 C ATOM 612 O ASN A 45 3.815 -9.377 -9.693 1.00 0.00 O ATOM 613 CB ASN A 45 1.575 -11.192 -9.408 1.00 0.00 C ATOM 614 CG ASN A 45 0.522 -12.168 -8.880 1.00 0.00 C ATOM 615 OD1 ASN A 45 -0.601 -11.784 -8.619 1.00 0.00 O ATOM 616 ND2 ASN A 45 0.838 -13.423 -8.706 1.00 0.00 N ATOM 0 H ASN A 45 1.791 -10.671 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 45 3.127 -11.400 -7.931 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.092 -10.370 -9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.224 -11.694 -10.125 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.143 -14.080 -8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.780 -13.747 -8.925 1.00 0.00 H new ATOM 623 N GLY A 46 3.048 -8.338 -7.919 1.00 0.00 N ATOM 624 CA GLY A 46 3.763 -7.084 -8.293 1.00 0.00 C ATOM 625 C GLY A 46 2.954 -6.321 -9.342 1.00 0.00 C ATOM 626 O GLY A 46 3.380 -5.299 -9.845 1.00 0.00 O ATOM 0 H GLY A 46 2.505 -8.289 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.911 -6.461 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.752 -7.321 -8.685 1.00 0.00 H new ATOM 630 N THR A 47 1.790 -6.807 -9.678 1.00 0.00 N ATOM 631 CA THR A 47 0.956 -6.106 -10.693 1.00 0.00 C ATOM 632 C THR A 47 0.039 -5.098 -9.994 1.00 0.00 C ATOM 633 O THR A 47 -0.633 -4.312 -10.630 1.00 0.00 O ATOM 634 CB THR A 47 0.106 -7.133 -11.446 1.00 0.00 C ATOM 635 OG1 THR A 47 0.212 -8.396 -10.804 1.00 0.00 O ATOM 636 CG2 THR A 47 0.605 -7.248 -12.887 1.00 0.00 C ATOM 0 H THR A 47 1.381 -7.659 -9.293 1.00 0.00 H new ATOM 0 HA THR A 47 1.602 -5.580 -11.396 1.00 0.00 H new ATOM 0 HB THR A 47 -0.936 -6.813 -11.448 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.216 -8.352 -9.924 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.001 -7.979 -13.424 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.524 -6.279 -13.379 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.647 -7.569 -12.887 1.00 0.00 H new ATOM 644 N LEU A 48 0.010 -5.116 -8.689 1.00 0.00 N ATOM 645 CA LEU A 48 -0.861 -4.160 -7.948 1.00 0.00 C ATOM 646 C LEU A 48 -0.072 -2.885 -7.640 1.00 0.00 C ATOM 647 O LEU A 48 1.016 -2.928 -7.101 1.00 0.00 O ATOM 648 CB LEU A 48 -1.325 -4.801 -6.639 1.00 0.00 C ATOM 649 CG LEU A 48 -2.315 -3.872 -5.935 1.00 0.00 C ATOM 650 CD1 LEU A 48 -3.548 -4.669 -5.509 1.00 0.00 C ATOM 651 CD2 LEU A 48 -1.648 -3.266 -4.697 1.00 0.00 C ATOM 0 H LEU A 48 0.552 -5.752 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.729 -3.912 -8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.795 -5.764 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.468 -4.993 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.615 -3.076 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.254 -4.007 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.022 -5.104 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.249 -5.465 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.351 -2.603 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.350 -4.064 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.767 -2.699 -4.999 1.00 0.00 H new ATOM 663 N THR A 49 -0.619 -1.751 -7.978 1.00 0.00 N ATOM 664 CA THR A 49 0.085 -0.465 -7.709 1.00 0.00 C ATOM 665 C THR A 49 -0.833 0.451 -6.905 1.00 0.00 C ATOM 666 O THR A 49 -1.627 0.003 -6.104 1.00 0.00 O ATOM 667 CB THR A 49 0.450 0.202 -9.038 1.00 0.00 C ATOM 668 OG1 THR A 49 -0.735 0.622 -9.696 1.00 0.00 O ATOM 669 CG2 THR A 49 1.201 -0.794 -9.924 1.00 0.00 C ATOM 0 H THR A 49 -1.528 -1.659 -8.431 1.00 0.00 H new ATOM 0 HA THR A 49 0.996 -0.654 -7.141 1.00 0.00 H new ATOM 0 HB THR A 49 1.087 1.066 -8.847 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.503 1.051 -10.546 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.460 -0.317 -10.869 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.112 -1.116 -9.419 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.567 -1.660 -10.116 1.00 0.00 H new ATOM 677 N LEU A 50 -0.724 1.730 -7.115 1.00 0.00 N ATOM 678 CA LEU A 50 -1.587 2.693 -6.374 1.00 0.00 C ATOM 679 C LEU A 50 -2.560 3.358 -7.350 1.00 0.00 C ATOM 680 O LEU A 50 -2.392 3.296 -8.551 1.00 0.00 O ATOM 681 CB LEU A 50 -0.718 3.772 -5.721 1.00 0.00 C ATOM 682 CG LEU A 50 -1.586 4.651 -4.819 1.00 0.00 C ATOM 683 CD1 LEU A 50 -2.319 3.776 -3.799 1.00 0.00 C ATOM 684 CD2 LEU A 50 -0.695 5.652 -4.081 1.00 0.00 C ATOM 0 H LEU A 50 -0.070 2.155 -7.772 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.142 2.157 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.078 3.309 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.239 4.381 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.316 5.186 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.937 4.405 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.952 3.059 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.591 3.240 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.310 6.281 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.033 5.113 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.172 6.277 -4.805 1.00 0.00 H new ATOM 696 N SER A 51 -3.574 3.997 -6.839 1.00 0.00 N ATOM 697 CA SER A 51 -4.559 4.674 -7.730 1.00 0.00 C ATOM 698 C SER A 51 -4.785 6.105 -7.237 1.00 0.00 C ATOM 699 O SER A 51 -5.045 7.004 -8.012 1.00 0.00 O ATOM 700 CB SER A 51 -5.882 3.901 -7.708 1.00 0.00 C ATOM 701 OG SER A 51 -6.879 4.675 -7.052 1.00 0.00 O ATOM 0 H SER A 51 -3.765 4.080 -5.840 1.00 0.00 H new ATOM 0 HA SER A 51 -4.176 4.700 -8.750 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.197 3.672 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.750 2.949 -7.193 1.00 0.00 H new ATOM 0 HG SER A 51 -7.022 4.325 -6.148 1.00 0.00 H new ATOM 707 N HIS A 52 -4.691 6.325 -5.953 1.00 0.00 N ATOM 708 CA HIS A 52 -4.900 7.693 -5.417 1.00 0.00 C ATOM 709 C HIS A 52 -4.790 7.646 -3.886 1.00 0.00 C ATOM 710 O HIS A 52 -5.667 7.152 -3.205 1.00 0.00 O ATOM 711 CB HIS A 52 -6.284 8.208 -5.879 1.00 0.00 C ATOM 712 CG HIS A 52 -7.148 8.609 -4.708 1.00 0.00 C ATOM 713 ND1 HIS A 52 -8.027 7.726 -4.104 1.00 0.00 N ATOM 714 CD2 HIS A 52 -7.276 9.793 -4.023 1.00 0.00 C ATOM 715 CE1 HIS A 52 -8.640 8.383 -3.103 1.00 0.00 C ATOM 716 NE2 HIS A 52 -8.218 9.647 -3.008 1.00 0.00 N ATOM 0 H HIS A 52 -4.478 5.613 -5.254 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.142 8.381 -5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.152 9.062 -6.543 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.788 7.432 -6.455 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.729 10.699 -4.239 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.383 7.942 -2.455 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.521 10.353 -2.337 1.00 0.00 H new ATOM 724 N PHE A 53 -3.715 8.152 -3.352 1.00 0.00 N ATOM 725 CA PHE A 53 -3.532 8.144 -1.878 1.00 0.00 C ATOM 726 C PHE A 53 -4.849 8.524 -1.199 1.00 0.00 C ATOM 727 O PHE A 53 -5.315 9.640 -1.307 1.00 0.00 O ATOM 728 CB PHE A 53 -2.453 9.158 -1.505 1.00 0.00 C ATOM 729 CG PHE A 53 -1.095 8.610 -1.867 1.00 0.00 C ATOM 730 CD1 PHE A 53 -0.579 8.813 -3.153 1.00 0.00 C ATOM 731 CD2 PHE A 53 -0.346 7.905 -0.917 1.00 0.00 C ATOM 732 CE1 PHE A 53 0.683 8.310 -3.488 1.00 0.00 C ATOM 733 CE2 PHE A 53 0.917 7.402 -1.253 1.00 0.00 C ATOM 734 CZ PHE A 53 1.431 7.605 -2.539 1.00 0.00 C ATOM 0 H PHE A 53 -2.950 8.574 -3.879 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.231 7.149 -1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.628 10.098 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.496 9.374 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.155 9.358 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.743 7.749 0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.080 8.466 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.494 6.858 -0.520 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.405 7.217 -2.799 1.00 0.00 H new ATOM 744 N GLY A 54 -5.451 7.602 -0.500 1.00 0.00 N ATOM 745 CA GLY A 54 -6.737 7.908 0.187 1.00 0.00 C ATOM 746 C GLY A 54 -7.739 6.789 -0.098 1.00 0.00 C ATOM 747 O GLY A 54 -7.545 5.977 -0.981 1.00 0.00 O ATOM 0 H GLY A 54 -5.108 6.650 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.576 8.003 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.131 8.863 -0.162 1.00 0.00 H new ATOM 751 N LYS A 55 -8.812 6.739 0.642 1.00 0.00 N ATOM 752 CA LYS A 55 -9.824 5.671 0.412 1.00 0.00 C ATOM 753 C LYS A 55 -10.661 6.027 -0.819 1.00 0.00 C ATOM 754 O LYS A 55 -11.031 7.166 -1.021 1.00 0.00 O ATOM 755 CB LYS A 55 -10.733 5.557 1.636 1.00 0.00 C ATOM 756 CG LYS A 55 -11.802 4.492 1.384 1.00 0.00 C ATOM 757 CD LYS A 55 -13.130 4.943 1.994 1.00 0.00 C ATOM 758 CE LYS A 55 -14.084 5.384 0.881 1.00 0.00 C ATOM 759 NZ LYS A 55 -15.014 4.268 0.550 1.00 0.00 N ATOM 0 H LYS A 55 -9.031 7.391 1.395 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.321 4.718 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.145 5.295 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.204 6.518 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.920 4.327 0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.494 3.542 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.574 4.128 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.962 5.765 2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.649 6.260 1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.518 5.674 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.662 4.569 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.467 3.444 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.564 4.012 1.395 1.00 0.00 H new ATOM 773 N CYS A 56 -10.964 5.061 -1.644 1.00 0.00 N ATOM 774 CA CYS A 56 -11.776 5.352 -2.858 1.00 0.00 C ATOM 775 C CYS A 56 -13.261 5.193 -2.527 1.00 0.00 C ATOM 776 O CYS A 56 -13.851 6.155 -2.062 1.00 0.00 O ATOM 777 CB CYS A 56 -11.393 4.378 -3.974 1.00 0.00 C ATOM 778 SG CYS A 56 -10.027 5.072 -4.937 1.00 0.00 S ATOM 779 OXT CYS A 56 -13.784 4.112 -2.744 1.00 0.00 O ATOM 0 H CYS A 56 -10.685 4.087 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.585 6.373 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -11.101 3.418 -3.549 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -12.251 4.193 -4.620 1.00 0.00 H new TER 784 CYS A 56