USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 337 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 1 LEU N :NH3+ 138:sc= 0.096 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -27:sc= -4.19! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.49 K(o=-0.49,f=-1.5) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 150:sc= 0 USER MOD Single : A 31 TYR OH : rot -121:sc= -2.88! USER MOD Single : A 33 ASN : amide:sc= -0.226! C(o=-0.23!,f=-8.8!) USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.672) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.31) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -40:sc= 0.0976 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.0679 K(o=0.068,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -14.730 10.720 6.364 1.00 0.00 N ATOM 2 CA LEU A 1 -13.376 10.792 5.845 1.00 0.00 C ATOM 3 C LEU A 1 -13.152 9.648 4.853 1.00 0.00 C ATOM 4 O LEU A 1 -14.059 8.856 4.600 1.00 0.00 O ATOM 5 CB LEU A 1 -12.362 10.818 6.990 1.00 0.00 C ATOM 6 CG LEU A 1 -11.836 12.199 7.389 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.441 12.654 8.718 1.00 0.00 C ATOM 8 CD2 LEU A 1 -10.306 12.214 7.420 1.00 0.00 C ATOM 0 H1 LEU A 1 -14.720 10.909 7.387 1.00 0.00 H new ATOM 0 H2 LEU A 1 -15.323 11.429 5.887 1.00 0.00 H new ATOM 0 H3 LEU A 1 -15.118 9.771 6.191 1.00 0.00 H new ATOM 0 HA LEU A 1 -13.229 11.723 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -12.821 10.359 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -11.513 10.194 6.711 1.00 0.00 H new ATOM 0 HG LEU A 1 -12.150 12.916 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -12.050 13.638 8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -13.526 12.707 8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -12.179 11.941 9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -9.958 13.206 7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -9.950 11.481 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.920 11.965 6.432 1.00 0.00 H new ATOM 19 N ALA A 2 -11.941 9.600 4.317 1.00 0.00 N ATOM 20 CA ALA A 2 -11.589 8.567 3.359 1.00 0.00 C ATOM 21 C ALA A 2 -12.187 7.233 3.809 1.00 0.00 C ATOM 22 O ALA A 2 -12.332 6.986 5.006 1.00 0.00 O ATOM 23 CB ALA A 2 -10.067 8.503 3.214 1.00 0.00 C ATOM 0 H ALA A 2 -11.192 10.260 4.528 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.002 8.799 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.802 7.728 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.694 9.465 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.619 8.270 4.180 1.00 0.00 H new ATOM 29 N ALA A 3 -12.519 6.408 2.827 1.00 0.00 N ATOM 30 CA ALA A 3 -13.099 5.105 3.108 1.00 0.00 C ATOM 31 C ALA A 3 -11.987 4.055 3.154 1.00 0.00 C ATOM 32 O ALA A 3 -10.971 4.192 2.473 1.00 0.00 O ATOM 33 CB ALA A 3 -14.162 4.782 2.057 1.00 0.00 C ATOM 0 H ALA A 3 -12.398 6.616 1.836 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.591 5.106 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.597 3.805 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.944 5.541 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.704 4.770 1.068 1.00 0.00 H new ATOM 39 N VAL A 4 -12.216 3.031 3.962 1.00 0.00 N ATOM 40 CA VAL A 4 -11.246 1.960 4.106 1.00 0.00 C ATOM 41 C VAL A 4 -9.867 2.559 4.390 1.00 0.00 C ATOM 42 O VAL A 4 -9.714 3.779 4.431 1.00 0.00 O ATOM 43 CB VAL A 4 -11.265 1.067 2.863 1.00 0.00 C ATOM 44 CG1 VAL A 4 -10.574 1.754 1.684 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.628 -0.293 3.154 1.00 0.00 C ATOM 0 H VAL A 4 -13.060 2.920 4.524 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.504 1.324 4.953 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.306 0.897 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.601 1.098 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.090 2.686 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.537 1.968 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.655 -0.907 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.593 -0.151 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.182 -0.791 3.950 1.00 0.00 H new ATOM 55 N SER A 5 -8.900 1.674 4.579 1.00 0.00 N ATOM 56 CA SER A 5 -7.539 2.101 4.858 1.00 0.00 C ATOM 57 C SER A 5 -6.625 0.881 4.989 1.00 0.00 C ATOM 58 O SER A 5 -7.036 -0.154 5.510 1.00 0.00 O ATOM 59 CB SER A 5 -7.478 2.948 6.130 1.00 0.00 C ATOM 60 OG SER A 5 -7.380 2.146 7.303 1.00 0.00 O ATOM 0 H SER A 5 -9.031 0.663 4.545 1.00 0.00 H new ATOM 0 HA SER A 5 -7.196 2.717 4.027 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.621 3.619 6.077 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.369 3.573 6.192 1.00 0.00 H new ATOM 0 HG SER A 5 -7.342 2.725 8.093 1.00 0.00 H new ATOM 65 N VAL A 6 -5.401 1.045 4.506 1.00 0.00 N ATOM 66 CA VAL A 6 -4.425 -0.030 4.562 1.00 0.00 C ATOM 67 C VAL A 6 -3.532 0.162 5.789 1.00 0.00 C ATOM 68 O VAL A 6 -3.278 1.291 6.206 1.00 0.00 O ATOM 69 CB VAL A 6 -3.637 -0.090 3.252 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.575 -1.190 3.302 1.00 0.00 C ATOM 71 CG2 VAL A 6 -4.574 -0.286 2.058 1.00 0.00 C ATOM 0 H VAL A 6 -5.064 1.906 4.075 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.923 -0.993 4.670 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.126 0.864 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.029 -1.212 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.881 -0.989 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.057 -2.154 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.989 -0.325 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.125 -1.219 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.276 0.546 2.006 1.00 0.00 H new ATOM 81 N ASP A 7 -3.078 -0.957 6.333 1.00 0.00 N ATOM 82 CA ASP A 7 -2.218 -0.927 7.503 1.00 0.00 C ATOM 83 C ASP A 7 -0.782 -0.626 7.068 1.00 0.00 C ATOM 84 O ASP A 7 -0.159 -1.428 6.375 1.00 0.00 O ATOM 85 CB ASP A 7 -2.220 -2.276 8.225 1.00 0.00 C ATOM 86 CG ASP A 7 -1.200 -2.406 9.357 1.00 0.00 C ATOM 87 OD1 ASP A 7 -0.438 -1.469 9.640 1.00 0.00 O ATOM 88 OD2 ASP A 7 -1.204 -3.542 9.967 1.00 0.00 O ATOM 0 H ASP A 7 -3.290 -1.892 5.984 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.594 -0.157 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.216 -2.452 8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.031 -3.062 7.494 1.00 0.00 H new ATOM 93 N CYS A 8 -0.299 0.533 7.494 1.00 0.00 N ATOM 94 CA CYS A 8 1.051 0.949 7.157 1.00 0.00 C ATOM 95 C CYS A 8 1.584 1.818 8.298 1.00 0.00 C ATOM 96 O CYS A 8 2.327 2.770 8.063 1.00 0.00 O ATOM 97 CB CYS A 8 1.099 1.680 5.812 1.00 0.00 C ATOM 98 SG CYS A 8 0.337 0.772 4.419 1.00 0.00 S ATOM 0 H CYS A 8 -0.819 1.196 8.069 1.00 0.00 H new ATOM 0 HA CYS A 8 1.687 0.071 7.042 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.597 2.642 5.919 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.140 1.890 5.565 1.00 0.00 H new ATOM 102 N SER A 9 1.185 1.458 9.509 1.00 0.00 N ATOM 103 CA SER A 9 1.614 2.193 10.686 1.00 0.00 C ATOM 104 C SER A 9 2.693 1.404 11.431 1.00 0.00 C ATOM 105 O SER A 9 2.636 1.268 12.652 1.00 0.00 O ATOM 106 CB SER A 9 0.434 2.483 11.615 1.00 0.00 C ATOM 107 OG SER A 9 0.621 3.683 12.360 1.00 0.00 O ATOM 0 H SER A 9 0.570 0.667 9.700 1.00 0.00 H new ATOM 0 HA SER A 9 2.029 3.147 10.361 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.480 2.561 11.026 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.300 1.647 12.302 1.00 0.00 H new ATOM 0 HG SER A 9 -0.155 3.833 12.939 1.00 0.00 H new ATOM 112 N GLU A 10 3.652 0.906 10.664 1.00 0.00 N ATOM 113 CA GLU A 10 4.743 0.134 11.235 1.00 0.00 C ATOM 114 C GLU A 10 5.790 -0.180 10.165 1.00 0.00 C ATOM 115 O GLU A 10 6.417 -1.237 10.195 1.00 0.00 O ATOM 116 CB GLU A 10 4.223 -1.149 11.888 1.00 0.00 C ATOM 117 CG GLU A 10 2.996 -1.683 11.147 1.00 0.00 C ATOM 118 CD GLU A 10 3.298 -1.886 9.660 1.00 0.00 C ATOM 119 OE1 GLU A 10 3.030 -0.991 8.845 1.00 0.00 O ATOM 120 OE2 GLU A 10 3.832 -3.022 9.363 1.00 0.00 O ATOM 0 H GLU A 10 3.696 1.022 9.652 1.00 0.00 H new ATOM 0 HA GLU A 10 5.217 0.733 12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.009 -1.905 11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.967 -0.953 12.929 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.682 -2.628 11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.166 -0.986 11.261 1.00 0.00 H new ATOM 126 N TYR A 11 5.945 0.759 9.243 1.00 0.00 N ATOM 127 CA TYR A 11 6.906 0.596 8.163 1.00 0.00 C ATOM 128 C TYR A 11 8.063 1.586 8.305 1.00 0.00 C ATOM 129 O TYR A 11 7.929 2.612 8.972 1.00 0.00 O ATOM 130 CB TYR A 11 6.144 0.902 6.872 1.00 0.00 C ATOM 131 CG TYR A 11 6.041 -0.288 5.914 1.00 0.00 C ATOM 132 CD1 TYR A 11 5.164 -1.318 6.187 1.00 0.00 C ATOM 133 CD2 TYR A 11 6.825 -0.330 4.779 1.00 0.00 C ATOM 134 CE1 TYR A 11 5.067 -2.437 5.285 1.00 0.00 C ATOM 135 CE2 TYR A 11 6.728 -1.448 3.879 1.00 0.00 C ATOM 136 CZ TYR A 11 5.853 -2.447 4.176 1.00 0.00 C ATOM 137 OH TYR A 11 5.762 -3.504 3.325 1.00 0.00 O ATOM 0 H TYR A 11 5.422 1.635 9.221 1.00 0.00 H new ATOM 0 HA TYR A 11 7.327 -0.409 8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.139 1.239 7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.636 1.728 6.358 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.551 -1.285 7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.511 0.476 4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.385 -3.250 5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.336 -1.494 2.988 1.00 0.00 H new ATOM 0 HH TYR A 11 5.469 -4.298 3.820 1.00 0.00 H new ATOM 146 N PRO A 12 9.202 1.237 7.651 1.00 0.00 N ATOM 147 CA PRO A 12 9.277 0.005 6.884 1.00 0.00 C ATOM 148 C PRO A 12 9.392 -1.210 7.807 1.00 0.00 C ATOM 149 O PRO A 12 9.962 -1.117 8.893 1.00 0.00 O ATOM 150 CB PRO A 12 10.483 0.179 5.976 1.00 0.00 C ATOM 151 CG PRO A 12 11.310 1.295 6.592 1.00 0.00 C ATOM 152 CD PRO A 12 10.446 2.001 7.624 1.00 0.00 C ATOM 0 HA PRO A 12 8.378 -0.180 6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.059 -0.744 5.911 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.175 0.435 4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.209 0.891 7.059 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.637 1.996 5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.926 2.011 8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.267 3.040 7.347 1.00 0.00 H new ATOM 157 N LYS A 13 8.842 -2.322 7.342 1.00 0.00 N ATOM 158 CA LYS A 13 8.876 -3.553 8.111 1.00 0.00 C ATOM 159 C LYS A 13 9.745 -4.580 7.385 1.00 0.00 C ATOM 160 O LYS A 13 9.770 -4.619 6.155 1.00 0.00 O ATOM 161 CB LYS A 13 7.456 -4.044 8.401 1.00 0.00 C ATOM 162 CG LYS A 13 6.834 -4.687 7.159 1.00 0.00 C ATOM 163 CD LYS A 13 5.900 -5.835 7.546 1.00 0.00 C ATOM 164 CE LYS A 13 4.458 -5.344 7.689 1.00 0.00 C ATOM 165 NZ LYS A 13 3.509 -6.386 7.238 1.00 0.00 N ATOM 0 H LYS A 13 8.370 -2.396 6.441 1.00 0.00 H new ATOM 0 HA LYS A 13 9.334 -3.380 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.477 -4.766 9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.838 -3.208 8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.280 -3.937 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.622 -5.059 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.948 -6.618 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.232 -6.278 8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.257 -5.086 8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.317 -4.436 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.535 -6.037 7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.691 -6.613 6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.633 -7.242 7.816 1.00 0.00 H new ATOM 175 N ASP A 14 10.438 -5.388 8.175 1.00 0.00 N ATOM 176 CA ASP A 14 11.306 -6.413 7.621 1.00 0.00 C ATOM 177 C ASP A 14 10.530 -7.726 7.506 1.00 0.00 C ATOM 178 O ASP A 14 10.866 -8.709 8.164 1.00 0.00 O ATOM 179 CB ASP A 14 12.516 -6.657 8.526 1.00 0.00 C ATOM 180 CG ASP A 14 12.180 -7.105 9.949 1.00 0.00 C ATOM 181 OD1 ASP A 14 12.295 -8.293 10.288 1.00 0.00 O ATOM 182 OD2 ASP A 14 11.778 -6.166 10.736 1.00 0.00 O ATOM 0 H ASP A 14 10.416 -5.353 9.194 1.00 0.00 H new ATOM 0 HA ASP A 14 11.648 -6.073 6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.150 -7.413 8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.102 -5.739 8.579 1.00 0.00 H new ATOM 187 N ALA A 15 9.506 -7.699 6.666 1.00 0.00 N ATOM 188 CA ALA A 15 8.679 -8.875 6.456 1.00 0.00 C ATOM 189 C ALA A 15 7.578 -8.546 5.447 1.00 0.00 C ATOM 190 O ALA A 15 7.266 -7.377 5.222 1.00 0.00 O ATOM 191 CB ALA A 15 8.117 -9.350 7.798 1.00 0.00 C ATOM 0 H ALA A 15 9.230 -6.881 6.123 1.00 0.00 H new ATOM 0 HA ALA A 15 9.271 -9.691 6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.496 -10.232 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.939 -9.599 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.515 -8.557 8.241 1.00 0.00 H new ATOM 197 N CYS A 16 7.019 -9.597 4.865 1.00 0.00 N ATOM 198 CA CYS A 16 5.959 -9.434 3.884 1.00 0.00 C ATOM 199 C CYS A 16 5.266 -10.785 3.697 1.00 0.00 C ATOM 200 O CYS A 16 5.673 -11.783 4.289 1.00 0.00 O ATOM 201 CB CYS A 16 6.492 -8.878 2.562 1.00 0.00 C ATOM 202 SG CYS A 16 6.714 -7.061 2.527 1.00 0.00 S ATOM 0 H CYS A 16 7.280 -10.565 5.054 1.00 0.00 H new ATOM 0 HA CYS A 16 5.236 -8.702 4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.450 -9.351 2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.808 -9.162 1.762 1.00 0.00 H new ATOM 206 N THR A 17 4.232 -10.774 2.869 1.00 0.00 N ATOM 207 CA THR A 17 3.478 -11.985 2.596 1.00 0.00 C ATOM 208 C THR A 17 3.644 -12.398 1.132 1.00 0.00 C ATOM 209 O THR A 17 4.104 -11.609 0.310 1.00 0.00 O ATOM 210 CB THR A 17 2.023 -11.738 2.996 1.00 0.00 C ATOM 211 OG1 THR A 17 1.648 -10.585 2.248 1.00 0.00 O ATOM 212 CG2 THR A 17 1.883 -11.295 4.455 1.00 0.00 C ATOM 0 H THR A 17 3.899 -9.945 2.378 1.00 0.00 H new ATOM 0 HA THR A 17 3.853 -12.824 3.183 1.00 0.00 H new ATOM 0 HB THR A 17 1.444 -12.647 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.716 -10.355 2.446 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.830 -11.133 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.284 -12.068 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.435 -10.368 4.608 1.00 0.00 H new ATOM 220 N LEU A 18 3.260 -13.635 0.853 1.00 0.00 N ATOM 221 CA LEU A 18 3.360 -14.162 -0.498 1.00 0.00 C ATOM 222 C LEU A 18 2.095 -13.798 -1.278 1.00 0.00 C ATOM 223 O LEU A 18 2.133 -13.663 -2.501 1.00 0.00 O ATOM 224 CB LEU A 18 3.653 -15.664 -0.466 1.00 0.00 C ATOM 225 CG LEU A 18 2.500 -16.562 -0.015 1.00 0.00 C ATOM 226 CD1 LEU A 18 1.585 -16.913 -1.189 1.00 0.00 C ATOM 227 CD2 LEU A 18 3.025 -17.812 0.696 1.00 0.00 C ATOM 0 H LEU A 18 2.879 -14.287 1.539 1.00 0.00 H new ATOM 0 HA LEU A 18 4.200 -13.708 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.961 -15.975 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.501 -15.835 0.197 1.00 0.00 H new ATOM 0 HG LEU A 18 1.899 -16.009 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.774 -17.552 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.170 -15.999 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.158 -17.439 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.185 -18.434 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.662 -18.377 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.602 -17.517 1.573 1.00 0.00 H new ATOM 238 N GLU A 19 1.005 -13.649 -0.539 1.00 0.00 N ATOM 239 CA GLU A 19 -0.268 -13.304 -1.147 1.00 0.00 C ATOM 240 C GLU A 19 -0.102 -12.107 -2.086 1.00 0.00 C ATOM 241 O GLU A 19 0.748 -11.249 -1.858 1.00 0.00 O ATOM 242 CB GLU A 19 -1.326 -13.018 -0.078 1.00 0.00 C ATOM 243 CG GLU A 19 -2.349 -14.154 -0.003 1.00 0.00 C ATOM 244 CD GLU A 19 -1.727 -15.412 0.609 1.00 0.00 C ATOM 245 OE1 GLU A 19 -0.497 -15.496 0.737 1.00 0.00 O ATOM 246 OE2 GLU A 19 -2.572 -16.323 0.956 1.00 0.00 O ATOM 0 H GLU A 19 0.978 -13.761 0.474 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.611 -14.156 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.844 -12.893 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.834 -12.081 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.204 -13.839 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.723 -14.378 -1.002 1.00 0.00 H new ATOM 252 N TYR A 20 -0.928 -12.090 -3.123 1.00 0.00 N ATOM 253 CA TYR A 20 -0.882 -11.013 -4.097 1.00 0.00 C ATOM 254 C TYR A 20 -2.131 -10.135 -4.002 1.00 0.00 C ATOM 255 O TYR A 20 -3.252 -10.630 -4.110 1.00 0.00 O ATOM 256 CB TYR A 20 -0.850 -11.688 -5.470 1.00 0.00 C ATOM 257 CG TYR A 20 -0.232 -10.826 -6.572 1.00 0.00 C ATOM 258 CD1 TYR A 20 -0.614 -9.507 -6.713 1.00 0.00 C ATOM 259 CD2 TYR A 20 0.706 -11.367 -7.427 1.00 0.00 C ATOM 260 CE1 TYR A 20 -0.032 -8.696 -7.751 1.00 0.00 C ATOM 261 CE2 TYR A 20 1.288 -10.556 -8.465 1.00 0.00 C ATOM 262 CZ TYR A 20 0.891 -9.261 -8.576 1.00 0.00 C ATOM 263 OH TYR A 20 1.440 -8.495 -9.556 1.00 0.00 O ATOM 0 H TYR A 20 -1.632 -12.804 -3.309 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.015 -10.375 -3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.288 -12.619 -5.393 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.868 -11.953 -5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.349 -9.083 -6.045 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.004 -12.399 -7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.322 -7.663 -7.872 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.024 -10.968 -9.140 1.00 0.00 H new ATOM 0 HH TYR A 20 2.083 -9.029 -10.067 1.00 0.00 H new ATOM 272 N ARG A 21 -1.896 -8.846 -3.802 1.00 0.00 N ATOM 273 CA ARG A 21 -2.988 -7.895 -3.692 1.00 0.00 C ATOM 274 C ARG A 21 -2.600 -6.564 -4.340 1.00 0.00 C ATOM 275 O ARG A 21 -1.961 -5.724 -3.708 1.00 0.00 O ATOM 276 CB ARG A 21 -3.360 -7.651 -2.227 1.00 0.00 C ATOM 277 CG ARG A 21 -4.134 -8.840 -1.654 1.00 0.00 C ATOM 278 CD ARG A 21 -3.206 -9.769 -0.869 1.00 0.00 C ATOM 279 NE ARG A 21 -3.890 -11.053 -0.596 1.00 0.00 N ATOM 280 CZ ARG A 21 -4.738 -11.252 0.423 1.00 0.00 C ATOM 281 NH1 ARG A 21 -5.012 -10.251 1.271 1.00 0.00 N ATOM 282 NH2 ARG A 21 -5.312 -12.450 0.594 1.00 0.00 N ATOM 0 H ARG A 21 -0.965 -8.439 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.849 -8.318 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.456 -7.484 -1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.963 -6.747 -2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.931 -8.480 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.609 -9.394 -2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.292 -9.947 -1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.913 -9.297 0.069 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.704 -11.836 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.575 -9.338 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.657 -10.402 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.104 -13.212 -0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.957 -12.600 1.370 1.00 0.00 H new ATOM 293 N PRO A 22 -3.013 -6.410 -5.627 1.00 0.00 N ATOM 294 CA PRO A 22 -2.716 -5.195 -6.367 1.00 0.00 C ATOM 295 C PRO A 22 -3.607 -4.040 -5.907 1.00 0.00 C ATOM 296 O PRO A 22 -4.795 -4.231 -5.650 1.00 0.00 O ATOM 297 CB PRO A 22 -2.929 -5.564 -7.827 1.00 0.00 C ATOM 298 CG PRO A 22 -3.780 -6.822 -7.820 1.00 0.00 C ATOM 299 CD PRO A 22 -3.772 -7.383 -6.407 1.00 0.00 C ATOM 0 HA PRO A 22 -1.699 -4.840 -6.202 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.428 -4.758 -8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.977 -5.739 -8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.799 -6.595 -8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.384 -7.554 -8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.785 -7.497 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.305 -8.368 -6.374 1.00 0.00 H new ATOM 304 N LEU A 23 -2.998 -2.866 -5.816 1.00 0.00 N ATOM 305 CA LEU A 23 -3.721 -1.680 -5.391 1.00 0.00 C ATOM 306 C LEU A 23 -3.172 -0.460 -6.132 1.00 0.00 C ATOM 307 O LEU A 23 -2.177 -0.561 -6.850 1.00 0.00 O ATOM 308 CB LEU A 23 -3.679 -1.545 -3.867 1.00 0.00 C ATOM 309 CG LEU A 23 -2.300 -1.684 -3.219 1.00 0.00 C ATOM 310 CD1 LEU A 23 -2.219 -0.872 -1.925 1.00 0.00 C ATOM 311 CD2 LEU A 23 -1.946 -3.155 -2.997 1.00 0.00 C ATOM 0 H LEU A 23 -2.013 -2.712 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.776 -1.763 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.089 -0.572 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.338 -2.299 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.557 -1.274 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.229 -0.988 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.398 0.181 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.973 -1.230 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.961 -3.227 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.688 -3.613 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.936 -3.675 -3.955 1.00 0.00 H new ATOM 322 N CYS A 24 -3.842 0.666 -5.933 1.00 0.00 N ATOM 323 CA CYS A 24 -3.433 1.904 -6.574 1.00 0.00 C ATOM 324 C CYS A 24 -3.391 3.003 -5.512 1.00 0.00 C ATOM 325 O CYS A 24 -4.299 3.111 -4.688 1.00 0.00 O ATOM 326 CB CYS A 24 -4.355 2.270 -7.739 1.00 0.00 C ATOM 327 SG CYS A 24 -4.103 3.949 -8.420 1.00 0.00 S ATOM 0 H CYS A 24 -4.666 0.747 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.441 1.781 -7.008 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.212 1.544 -8.539 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.389 2.179 -7.407 1.00 0.00 H new ATOM 331 N GLY A 25 -2.328 3.793 -5.564 1.00 0.00 N ATOM 332 CA GLY A 25 -2.156 4.880 -4.616 1.00 0.00 C ATOM 333 C GLY A 25 -2.791 6.170 -5.140 1.00 0.00 C ATOM 334 O GLY A 25 -3.301 6.205 -6.259 1.00 0.00 O ATOM 0 H GLY A 25 -1.577 3.701 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.608 4.610 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.094 5.042 -4.432 1.00 0.00 H new ATOM 338 N SER A 26 -2.738 7.200 -4.307 1.00 0.00 N ATOM 339 CA SER A 26 -3.301 8.487 -4.673 1.00 0.00 C ATOM 340 C SER A 26 -2.449 9.141 -5.763 1.00 0.00 C ATOM 341 O SER A 26 -2.950 9.938 -6.554 1.00 0.00 O ATOM 342 CB SER A 26 -3.404 9.409 -3.456 1.00 0.00 C ATOM 343 OG SER A 26 -4.002 10.661 -3.784 1.00 0.00 O ATOM 0 H SER A 26 -2.314 7.168 -3.380 1.00 0.00 H new ATOM 0 HA SER A 26 -4.308 8.323 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.991 8.919 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.409 9.579 -3.045 1.00 0.00 H new ATOM 0 HG SER A 26 -4.051 11.220 -2.981 1.00 0.00 H new ATOM 348 N ASP A 27 -1.174 8.779 -5.769 1.00 0.00 N ATOM 349 CA ASP A 27 -0.247 9.320 -6.749 1.00 0.00 C ATOM 350 C ASP A 27 -0.279 8.453 -8.008 1.00 0.00 C ATOM 351 O ASP A 27 0.583 8.580 -8.876 1.00 0.00 O ATOM 352 CB ASP A 27 1.184 9.320 -6.210 1.00 0.00 C ATOM 353 CG ASP A 27 1.771 7.935 -5.931 1.00 0.00 C ATOM 354 OD1 ASP A 27 1.385 7.262 -4.964 1.00 0.00 O ATOM 355 OD2 ASP A 27 2.673 7.546 -6.767 1.00 0.00 O ATOM 0 H ASP A 27 -0.761 8.118 -5.111 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.549 10.344 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.826 9.832 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.209 9.901 -5.288 1.00 0.00 H new ATOM 360 N ASN A 28 -1.282 7.589 -8.067 1.00 0.00 N ATOM 361 CA ASN A 28 -1.438 6.701 -9.207 1.00 0.00 C ATOM 362 C ASN A 28 -0.294 5.684 -9.215 1.00 0.00 C ATOM 363 O ASN A 28 0.259 5.375 -10.269 1.00 0.00 O ATOM 364 CB ASN A 28 -1.388 7.479 -10.523 1.00 0.00 C ATOM 365 CG ASN A 28 -1.895 6.622 -11.686 1.00 0.00 C ATOM 366 OD1 ASN A 28 -2.943 6.001 -11.622 1.00 0.00 O ATOM 367 ND2 ASN A 28 -1.096 6.625 -12.748 1.00 0.00 N ATOM 0 H ASN A 28 -1.994 7.485 -7.344 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.405 6.205 -9.119 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.994 8.381 -10.440 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.365 7.800 -10.722 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.347 6.085 -13.576 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.232 7.167 -12.735 1.00 0.00 H new ATOM 373 N LYS A 29 0.026 5.192 -8.027 1.00 0.00 N ATOM 374 CA LYS A 29 1.094 4.218 -7.884 1.00 0.00 C ATOM 375 C LYS A 29 0.486 2.829 -7.678 1.00 0.00 C ATOM 376 O LYS A 29 -0.104 2.553 -6.634 1.00 0.00 O ATOM 377 CB LYS A 29 2.059 4.638 -6.773 1.00 0.00 C ATOM 378 CG LYS A 29 3.484 4.778 -7.309 1.00 0.00 C ATOM 379 CD LYS A 29 4.318 3.537 -6.981 1.00 0.00 C ATOM 380 CE LYS A 29 5.333 3.250 -8.089 1.00 0.00 C ATOM 381 NZ LYS A 29 6.591 2.723 -7.515 1.00 0.00 N ATOM 0 H LYS A 29 -0.436 5.450 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 29 1.693 4.174 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.734 5.585 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.039 3.900 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.457 4.928 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.954 5.661 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.839 3.684 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.661 2.677 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.918 2.529 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.536 4.162 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.269 2.533 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.994 3.424 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.395 1.841 -7.000 1.00 0.00 H new ATOM 391 N THR A 30 0.651 1.989 -8.690 1.00 0.00 N ATOM 392 CA THR A 30 0.126 0.635 -8.633 1.00 0.00 C ATOM 393 C THR A 30 1.125 -0.295 -7.942 1.00 0.00 C ATOM 394 O THR A 30 2.261 -0.437 -8.392 1.00 0.00 O ATOM 395 CB THR A 30 -0.222 0.203 -10.058 1.00 0.00 C ATOM 396 OG1 THR A 30 -1.307 1.052 -10.423 1.00 0.00 O ATOM 397 CG2 THR A 30 -0.816 -1.206 -10.114 1.00 0.00 C ATOM 0 H THR A 30 1.141 2.220 -9.554 1.00 0.00 H new ATOM 0 HA THR A 30 -0.783 0.587 -8.033 1.00 0.00 H new ATOM 0 HB THR A 30 0.673 0.244 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.291 1.205 -11.391 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.045 -1.463 -11.148 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.097 -1.920 -9.713 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.730 -1.239 -9.521 1.00 0.00 H new ATOM 405 N TYR A 31 0.666 -0.906 -6.860 1.00 0.00 N ATOM 406 CA TYR A 31 1.505 -1.819 -6.102 1.00 0.00 C ATOM 407 C TYR A 31 0.983 -3.254 -6.203 1.00 0.00 C ATOM 408 O TYR A 31 -0.156 -3.476 -6.609 1.00 0.00 O ATOM 409 CB TYR A 31 1.420 -1.359 -4.646 1.00 0.00 C ATOM 410 CG TYR A 31 1.882 0.082 -4.420 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.227 0.362 -4.280 1.00 0.00 C ATOM 412 CD2 TYR A 31 0.955 1.102 -4.357 1.00 0.00 C ATOM 413 CE1 TYR A 31 3.662 1.718 -4.067 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.390 2.458 -4.145 1.00 0.00 C ATOM 415 CZ TYR A 31 2.722 2.699 -4.011 1.00 0.00 C ATOM 416 OH TYR A 31 3.132 3.980 -3.810 1.00 0.00 O ATOM 0 H TYR A 31 -0.277 -0.787 -6.490 1.00 0.00 H new ATOM 0 HA TYR A 31 2.526 -1.810 -6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.390 -1.457 -4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.025 -2.024 -4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.953 -0.436 -4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.097 0.883 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.711 1.951 -3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.675 3.266 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 31 2.717 4.332 -2.995 1.00 0.00 H new ATOM 425 N GLY A 32 1.843 -4.190 -5.826 1.00 0.00 N ATOM 426 CA GLY A 32 1.482 -5.596 -5.869 1.00 0.00 C ATOM 427 C GLY A 32 0.858 -6.043 -4.546 1.00 0.00 C ATOM 428 O GLY A 32 -0.033 -6.892 -4.531 1.00 0.00 O ATOM 0 H GLY A 32 2.787 -4.002 -5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.779 -5.770 -6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.367 -6.196 -6.079 1.00 0.00 H new ATOM 432 N ASN A 33 1.348 -5.451 -3.467 1.00 0.00 N ATOM 433 CA ASN A 33 0.849 -5.777 -2.142 1.00 0.00 C ATOM 434 C ASN A 33 0.908 -4.529 -1.258 1.00 0.00 C ATOM 435 O ASN A 33 1.573 -3.553 -1.600 1.00 0.00 O ATOM 436 CB ASN A 33 1.701 -6.863 -1.484 1.00 0.00 C ATOM 437 CG ASN A 33 1.021 -8.231 -1.584 1.00 0.00 C ATOM 438 OD1 ASN A 33 0.098 -8.439 -2.355 1.00 0.00 O ATOM 439 ND2 ASN A 33 1.525 -9.148 -0.764 1.00 0.00 N ATOM 0 H ASN A 33 2.086 -4.747 -3.483 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.175 -6.136 -2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.679 -6.903 -1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.870 -6.613 -0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.138 -10.092 -0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.298 -8.908 -0.144 1.00 0.00 H new ATOM 445 N LYS A 34 0.203 -4.602 -0.139 1.00 0.00 N ATOM 446 CA LYS A 34 0.167 -3.492 0.797 1.00 0.00 C ATOM 447 C LYS A 34 1.570 -3.257 1.358 1.00 0.00 C ATOM 448 O LYS A 34 1.854 -2.193 1.906 1.00 0.00 O ATOM 449 CB LYS A 34 -0.894 -3.731 1.873 1.00 0.00 C ATOM 450 CG LYS A 34 -0.332 -3.452 3.269 1.00 0.00 C ATOM 451 CD LYS A 34 -1.335 -3.850 4.354 1.00 0.00 C ATOM 452 CE LYS A 34 -0.731 -4.887 5.303 1.00 0.00 C ATOM 453 NZ LYS A 34 -1.786 -5.493 6.147 1.00 0.00 N ATOM 0 H LYS A 34 -0.348 -5.413 0.141 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.130 -2.575 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.755 -3.089 1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.247 -4.761 1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.597 -4.004 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.091 -2.393 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.636 -2.967 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.235 -4.255 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.225 -5.663 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.022 -4.416 5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.381 -5.771 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.548 -4.802 6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.172 -6.333 5.671 1.00 0.00 H new ATOM 463 N CYS A 35 2.412 -4.269 1.202 1.00 0.00 N ATOM 464 CA CYS A 35 3.779 -4.186 1.687 1.00 0.00 C ATOM 465 C CYS A 35 4.529 -3.159 0.836 1.00 0.00 C ATOM 466 O CYS A 35 5.181 -2.264 1.369 1.00 0.00 O ATOM 467 CB CYS A 35 4.468 -5.553 1.672 1.00 0.00 C ATOM 468 SG CYS A 35 4.979 -6.171 3.316 1.00 0.00 S ATOM 0 H CYS A 35 2.174 -5.150 0.747 1.00 0.00 H new ATOM 0 HA CYS A 35 3.780 -3.863 2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.793 -6.280 1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.348 -5.494 1.032 1.00 0.00 H new ATOM 472 N ASN A 36 4.412 -3.324 -0.473 1.00 0.00 N ATOM 473 CA ASN A 36 5.070 -2.424 -1.404 1.00 0.00 C ATOM 474 C ASN A 36 4.496 -1.016 -1.237 1.00 0.00 C ATOM 475 O ASN A 36 5.240 -0.038 -1.201 1.00 0.00 O ATOM 476 CB ASN A 36 4.839 -2.860 -2.851 1.00 0.00 C ATOM 477 CG ASN A 36 5.868 -3.908 -3.280 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.839 -3.620 -3.961 1.00 0.00 O ATOM 479 ND2 ASN A 36 5.604 -5.136 -2.843 1.00 0.00 N ATOM 0 H ASN A 36 3.870 -4.069 -0.911 1.00 0.00 H new ATOM 0 HA ASN A 36 6.139 -2.441 -1.190 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.834 -3.268 -2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.901 -1.994 -3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.232 -5.906 -3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.773 -5.308 -2.277 1.00 0.00 H new ATOM 485 N PHE A 37 3.176 -0.958 -1.138 1.00 0.00 N ATOM 486 CA PHE A 37 2.492 0.314 -0.976 1.00 0.00 C ATOM 487 C PHE A 37 2.908 0.997 0.328 1.00 0.00 C ATOM 488 O PHE A 37 3.129 2.206 0.356 1.00 0.00 O ATOM 489 CB PHE A 37 0.993 0.013 -0.925 1.00 0.00 C ATOM 490 CG PHE A 37 0.121 1.240 -0.650 1.00 0.00 C ATOM 491 CD1 PHE A 37 0.123 1.813 0.583 1.00 0.00 C ATOM 492 CD2 PHE A 37 -0.656 1.756 -1.639 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.687 2.951 0.838 1.00 0.00 C ATOM 494 CE2 PHE A 37 -1.466 2.895 -1.384 1.00 0.00 C ATOM 495 CZ PHE A 37 -1.464 3.468 -0.150 1.00 0.00 C ATOM 0 H PHE A 37 2.562 -1.772 -1.167 1.00 0.00 H new ATOM 0 HA PHE A 37 2.745 0.980 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.689 -0.431 -1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.809 -0.732 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.741 1.403 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.658 1.300 -2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.686 3.406 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.083 3.306 -2.169 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.080 4.334 0.044 1.00 0.00 H new ATOM 504 N CYS A 38 3.001 0.192 1.377 1.00 0.00 N ATOM 505 CA CYS A 38 3.385 0.704 2.681 1.00 0.00 C ATOM 506 C CYS A 38 4.760 1.363 2.552 1.00 0.00 C ATOM 507 O CYS A 38 4.956 2.492 2.998 1.00 0.00 O ATOM 508 CB CYS A 38 3.376 -0.395 3.746 1.00 0.00 C ATOM 509 SG CYS A 38 1.723 -0.805 4.411 1.00 0.00 S ATOM 0 H CYS A 38 2.817 -0.811 1.350 1.00 0.00 H new ATOM 0 HA CYS A 38 2.657 1.445 3.012 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.815 -1.297 3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.018 -0.087 4.571 1.00 0.00 H new ATOM 513 N ASN A 39 5.677 0.630 1.940 1.00 0.00 N ATOM 514 CA ASN A 39 7.028 1.128 1.746 1.00 0.00 C ATOM 515 C ASN A 39 6.977 2.430 0.944 1.00 0.00 C ATOM 516 O ASN A 39 7.841 3.291 1.095 1.00 0.00 O ATOM 517 CB ASN A 39 7.880 0.125 0.965 1.00 0.00 C ATOM 518 CG ASN A 39 9.343 0.184 1.409 1.00 0.00 C ATOM 519 OD1 ASN A 39 10.245 0.436 0.628 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.525 -0.063 2.703 1.00 0.00 N ATOM 0 H ASN A 39 5.511 -0.306 1.571 1.00 0.00 H new ATOM 0 HA ASN A 39 7.471 1.289 2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.491 -0.882 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.811 0.337 -0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.465 -0.048 3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.724 -0.267 3.301 1.00 0.00 H new ATOM 526 N ALA A 40 5.954 2.531 0.107 1.00 0.00 N ATOM 527 CA ALA A 40 5.779 3.713 -0.719 1.00 0.00 C ATOM 528 C ALA A 40 5.209 4.848 0.135 1.00 0.00 C ATOM 529 O ALA A 40 5.508 6.018 -0.102 1.00 0.00 O ATOM 530 CB ALA A 40 4.881 3.374 -1.912 1.00 0.00 C ATOM 0 H ALA A 40 5.239 1.814 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 40 6.737 4.048 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.749 4.261 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.344 2.584 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.909 3.036 -1.552 1.00 0.00 H new ATOM 536 N VAL A 41 4.400 4.463 1.111 1.00 0.00 N ATOM 537 CA VAL A 41 3.787 5.433 2.002 1.00 0.00 C ATOM 538 C VAL A 41 4.866 6.062 2.884 1.00 0.00 C ATOM 539 O VAL A 41 5.018 7.283 2.912 1.00 0.00 O ATOM 540 CB VAL A 41 2.668 4.769 2.806 1.00 0.00 C ATOM 541 CG1 VAL A 41 2.192 5.683 3.939 1.00 0.00 C ATOM 542 CG2 VAL A 41 1.503 4.368 1.899 1.00 0.00 C ATOM 0 H VAL A 41 4.155 3.492 1.304 1.00 0.00 H new ATOM 0 HA VAL A 41 3.325 6.239 1.431 1.00 0.00 H new ATOM 0 HB VAL A 41 3.071 3.860 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.396 5.188 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.025 5.896 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.815 6.616 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.722 3.898 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.101 5.255 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.855 3.665 1.144 1.00 0.00 H new ATOM 552 N VAL A 42 5.590 5.201 3.584 1.00 0.00 N ATOM 553 CA VAL A 42 6.652 5.657 4.465 1.00 0.00 C ATOM 554 C VAL A 42 7.632 6.522 3.670 1.00 0.00 C ATOM 555 O VAL A 42 8.103 7.545 4.165 1.00 0.00 O ATOM 556 CB VAL A 42 7.322 4.459 5.141 1.00 0.00 C ATOM 557 CG1 VAL A 42 6.622 4.108 6.455 1.00 0.00 C ATOM 558 CG2 VAL A 42 7.362 3.252 4.202 1.00 0.00 C ATOM 0 H VAL A 42 5.462 4.189 3.559 1.00 0.00 H new ATOM 0 HA VAL A 42 6.246 6.278 5.264 1.00 0.00 H new ATOM 0 HB VAL A 42 8.350 4.737 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.118 3.253 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.669 4.961 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.580 3.859 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.843 2.414 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.346 2.973 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.926 3.507 3.305 1.00 0.00 H new ATOM 568 N GLU A 43 7.910 6.078 2.453 1.00 0.00 N ATOM 569 CA GLU A 43 8.827 6.798 1.586 1.00 0.00 C ATOM 570 C GLU A 43 8.337 8.231 1.371 1.00 0.00 C ATOM 571 O GLU A 43 9.132 9.171 1.372 1.00 0.00 O ATOM 572 CB GLU A 43 9.002 6.073 0.251 1.00 0.00 C ATOM 573 CG GLU A 43 10.443 5.592 0.074 1.00 0.00 C ATOM 574 CD GLU A 43 10.897 5.743 -1.380 1.00 0.00 C ATOM 575 OE1 GLU A 43 10.347 6.575 -2.118 1.00 0.00 O ATOM 576 OE2 GLU A 43 11.858 4.960 -1.736 1.00 0.00 O ATOM 0 H GLU A 43 7.517 5.229 2.047 1.00 0.00 H new ATOM 0 HA GLU A 43 9.802 6.836 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.322 5.222 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.735 6.741 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.104 6.163 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.521 4.548 0.377 1.00 0.00 H new ATOM 582 N SER A 44 7.030 8.357 1.190 1.00 0.00 N ATOM 583 CA SER A 44 6.426 9.661 0.975 1.00 0.00 C ATOM 584 C SER A 44 6.052 10.293 2.317 1.00 0.00 C ATOM 585 O SER A 44 4.984 10.887 2.451 1.00 0.00 O ATOM 586 CB SER A 44 5.191 9.553 0.077 1.00 0.00 C ATOM 587 OG SER A 44 5.170 10.566 -0.925 1.00 0.00 O ATOM 0 H SER A 44 6.373 7.577 1.188 1.00 0.00 H new ATOM 0 HA SER A 44 7.155 10.297 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.173 8.572 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.291 9.628 0.687 1.00 0.00 H new ATOM 0 HG SER A 44 4.368 10.462 -1.478 1.00 0.00 H new ATOM 592 N ASN A 45 6.954 10.143 3.277 1.00 0.00 N ATOM 593 CA ASN A 45 6.732 10.692 4.604 1.00 0.00 C ATOM 594 C ASN A 45 5.335 10.299 5.087 1.00 0.00 C ATOM 595 O ASN A 45 4.756 10.974 5.937 1.00 0.00 O ATOM 596 CB ASN A 45 6.815 12.220 4.588 1.00 0.00 C ATOM 597 CG ASN A 45 8.090 12.708 5.278 1.00 0.00 C ATOM 598 OD1 ASN A 45 9.112 12.944 4.654 1.00 0.00 O ATOM 599 ND2 ASN A 45 7.974 12.845 6.595 1.00 0.00 N ATOM 0 H ASN A 45 7.839 9.649 3.162 1.00 0.00 H new ATOM 0 HA ASN A 45 7.502 10.296 5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.795 12.578 3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.943 12.640 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.770 13.165 7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.089 12.630 7.054 1.00 0.00 H new ATOM 605 N GLY A 46 4.835 9.208 4.525 1.00 0.00 N ATOM 606 CA GLY A 46 3.516 8.717 4.889 1.00 0.00 C ATOM 607 C GLY A 46 2.425 9.689 4.436 1.00 0.00 C ATOM 608 O GLY A 46 1.377 9.790 5.072 1.00 0.00 O ATOM 0 H GLY A 46 5.319 8.651 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.349 7.740 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.460 8.580 5.969 1.00 0.00 H new ATOM 612 N THR A 47 2.708 10.378 3.341 1.00 0.00 N ATOM 613 CA THR A 47 1.764 11.338 2.795 1.00 0.00 C ATOM 614 C THR A 47 0.953 10.704 1.664 1.00 0.00 C ATOM 615 O THR A 47 -0.047 11.267 1.222 1.00 0.00 O ATOM 616 CB THR A 47 2.548 12.578 2.360 1.00 0.00 C ATOM 617 OG1 THR A 47 1.545 13.569 2.156 1.00 0.00 O ATOM 618 CG2 THR A 47 3.192 12.410 0.983 1.00 0.00 C ATOM 0 H THR A 47 3.578 10.291 2.816 1.00 0.00 H new ATOM 0 HA THR A 47 1.034 11.644 3.544 1.00 0.00 H new ATOM 0 HB THR A 47 3.320 12.796 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.766 13.161 1.724 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.736 13.318 0.722 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.883 11.567 1.005 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.417 12.225 0.239 1.00 0.00 H new ATOM 626 N LEU A 48 1.414 9.541 1.226 1.00 0.00 N ATOM 627 CA LEU A 48 0.743 8.824 0.155 1.00 0.00 C ATOM 628 C LEU A 48 -0.431 8.034 0.733 1.00 0.00 C ATOM 629 O LEU A 48 -0.276 7.318 1.722 1.00 0.00 O ATOM 630 CB LEU A 48 1.743 7.963 -0.620 1.00 0.00 C ATOM 631 CG LEU A 48 1.163 7.128 -1.763 1.00 0.00 C ATOM 632 CD1 LEU A 48 0.361 5.942 -1.224 1.00 0.00 C ATOM 633 CD2 LEU A 48 0.334 7.997 -2.711 1.00 0.00 C ATOM 0 H LEU A 48 2.245 9.077 1.594 1.00 0.00 H new ATOM 0 HA LEU A 48 0.329 9.523 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.515 8.616 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.234 7.290 0.083 1.00 0.00 H new ATOM 0 HG LEU A 48 1.991 6.720 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.040 5.365 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.011 5.307 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.460 6.308 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.067 7.379 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.488 8.454 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.965 8.778 -3.135 1.00 0.00 H new ATOM 644 N THR A 49 -1.580 8.189 0.092 1.00 0.00 N ATOM 645 CA THR A 49 -2.781 7.498 0.530 1.00 0.00 C ATOM 646 C THR A 49 -3.225 6.480 -0.522 1.00 0.00 C ATOM 647 O THR A 49 -2.832 6.572 -1.685 1.00 0.00 O ATOM 648 CB THR A 49 -3.845 8.552 0.843 1.00 0.00 C ATOM 649 OG1 THR A 49 -3.997 9.266 -0.381 1.00 0.00 O ATOM 650 CG2 THR A 49 -3.349 9.610 1.831 1.00 0.00 C ATOM 0 H THR A 49 -1.705 8.783 -0.728 1.00 0.00 H new ATOM 0 HA THR A 49 -2.597 6.921 1.437 1.00 0.00 H new ATOM 0 HB THR A 49 -4.731 8.063 1.248 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.671 9.969 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.143 10.333 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.067 9.129 2.768 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.483 10.122 1.411 1.00 0.00 H new ATOM 658 N LEU A 50 -4.038 5.534 -0.077 1.00 0.00 N ATOM 659 CA LEU A 50 -4.539 4.499 -0.967 1.00 0.00 C ATOM 660 C LEU A 50 -5.778 5.018 -1.699 1.00 0.00 C ATOM 661 O LEU A 50 -6.768 5.385 -1.067 1.00 0.00 O ATOM 662 CB LEU A 50 -4.780 3.200 -0.196 1.00 0.00 C ATOM 663 CG LEU A 50 -5.574 2.119 -0.933 1.00 0.00 C ATOM 664 CD1 LEU A 50 -4.663 0.969 -1.365 1.00 0.00 C ATOM 665 CD2 LEU A 50 -6.752 1.632 -0.087 1.00 0.00 C ATOM 0 H LEU A 50 -4.363 5.462 0.887 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.796 4.258 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.813 2.784 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.305 3.442 0.728 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.989 2.558 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.252 0.214 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.888 1.349 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.198 0.523 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.300 0.864 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.380 1.215 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.417 2.469 0.127 1.00 0.00 H new ATOM 676 N SER A 51 -5.684 5.033 -3.020 1.00 0.00 N ATOM 677 CA SER A 51 -6.785 5.502 -3.845 1.00 0.00 C ATOM 678 C SER A 51 -7.883 4.438 -3.904 1.00 0.00 C ATOM 679 O SER A 51 -9.048 4.728 -3.640 1.00 0.00 O ATOM 680 CB SER A 51 -6.307 5.851 -5.254 1.00 0.00 C ATOM 681 OG SER A 51 -6.628 7.193 -5.610 1.00 0.00 O ATOM 0 H SER A 51 -4.862 4.728 -3.540 1.00 0.00 H new ATOM 0 HA SER A 51 -7.190 6.408 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.228 5.708 -5.317 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.762 5.167 -5.971 1.00 0.00 H new ATOM 0 HG SER A 51 -6.304 7.377 -6.516 1.00 0.00 H new ATOM 686 N HIS A 52 -7.471 3.228 -4.254 1.00 0.00 N ATOM 687 CA HIS A 52 -8.405 2.120 -4.352 1.00 0.00 C ATOM 688 C HIS A 52 -7.632 0.804 -4.461 1.00 0.00 C ATOM 689 O HIS A 52 -6.405 0.807 -4.557 1.00 0.00 O ATOM 690 CB HIS A 52 -9.380 2.331 -5.513 1.00 0.00 C ATOM 691 CG HIS A 52 -8.726 2.318 -6.874 1.00 0.00 C ATOM 692 ND1 HIS A 52 -8.628 1.175 -7.648 1.00 0.00 N ATOM 693 CD2 HIS A 52 -8.140 3.320 -7.590 1.00 0.00 C ATOM 694 CE1 HIS A 52 -8.009 1.486 -8.777 1.00 0.00 C ATOM 695 NE2 HIS A 52 -7.706 2.816 -8.739 1.00 0.00 N ATOM 0 H HIS A 52 -6.503 2.991 -4.473 1.00 0.00 H new ATOM 0 HA HIS A 52 -9.012 2.072 -3.448 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.142 1.552 -5.480 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.891 3.284 -5.376 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -8.974 0.250 -7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.045 4.349 -7.276 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.784 0.806 -9.586 1.00 0.00 H new ATOM 703 N PHE A 53 -8.380 -0.289 -4.442 1.00 0.00 N ATOM 704 CA PHE A 53 -7.779 -1.609 -4.538 1.00 0.00 C ATOM 705 C PHE A 53 -7.795 -2.116 -5.981 1.00 0.00 C ATOM 706 O PHE A 53 -8.575 -1.636 -6.803 1.00 0.00 O ATOM 707 CB PHE A 53 -8.623 -2.547 -3.671 1.00 0.00 C ATOM 708 CG PHE A 53 -8.262 -2.513 -2.185 1.00 0.00 C ATOM 709 CD1 PHE A 53 -7.039 -2.943 -1.771 1.00 0.00 C ATOM 710 CD2 PHE A 53 -9.165 -2.054 -1.277 1.00 0.00 C ATOM 711 CE1 PHE A 53 -6.705 -2.911 -0.392 1.00 0.00 C ATOM 712 CE2 PHE A 53 -8.830 -2.023 0.103 1.00 0.00 C ATOM 713 CZ PHE A 53 -7.607 -2.452 0.516 1.00 0.00 C ATOM 0 H PHE A 53 -9.397 -0.288 -4.362 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.741 -1.571 -4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.674 -2.283 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.509 -3.567 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.323 -3.309 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.136 -1.713 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.734 -3.251 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.546 -1.659 0.824 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.352 -2.428 1.565 1.00 0.00 H new ATOM 722 N GLY A 54 -6.923 -3.078 -6.247 1.00 0.00 N ATOM 723 CA GLY A 54 -6.827 -3.655 -7.577 1.00 0.00 C ATOM 724 C GLY A 54 -6.075 -2.720 -8.526 1.00 0.00 C ATOM 725 O GLY A 54 -6.060 -1.506 -8.326 1.00 0.00 O ATOM 0 H GLY A 54 -6.277 -3.472 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.314 -4.615 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.826 -3.848 -7.967 1.00 0.00 H new ATOM 729 N LYS A 55 -5.468 -3.321 -9.539 1.00 0.00 N ATOM 730 CA LYS A 55 -4.715 -2.558 -10.520 1.00 0.00 C ATOM 731 C LYS A 55 -5.483 -1.280 -10.863 1.00 0.00 C ATOM 732 O LYS A 55 -6.704 -1.304 -11.007 1.00 0.00 O ATOM 733 CB LYS A 55 -4.389 -3.425 -11.738 1.00 0.00 C ATOM 734 CG LYS A 55 -3.377 -4.515 -11.379 1.00 0.00 C ATOM 735 CD LYS A 55 -2.113 -4.392 -12.234 1.00 0.00 C ATOM 736 CE LYS A 55 -1.336 -5.708 -12.256 1.00 0.00 C ATOM 737 NZ LYS A 55 -0.970 -6.072 -13.642 1.00 0.00 N ATOM 0 H LYS A 55 -5.482 -4.328 -9.702 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.753 -2.252 -10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.302 -3.883 -12.118 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.989 -2.801 -12.537 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.115 -4.440 -10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.827 -5.497 -11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.384 -4.109 -13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.479 -3.598 -11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.436 -5.615 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.939 -6.500 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.443 -6.968 -13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.833 -6.181 -14.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.376 -5.323 -14.052 1.00 0.00 H new ATOM 747 N CYS A 56 -4.736 -0.193 -10.985 1.00 0.00 N ATOM 748 CA CYS A 56 -5.330 1.093 -11.308 1.00 0.00 C ATOM 749 C CYS A 56 -6.352 0.882 -12.426 1.00 0.00 C ATOM 750 O CYS A 56 -6.788 1.839 -13.064 1.00 0.00 O ATOM 751 CB CYS A 56 -4.270 2.126 -11.692 1.00 0.00 C ATOM 752 SG CYS A 56 -3.902 3.366 -10.397 1.00 0.00 S ATOM 0 H CYS A 56 -3.723 -0.176 -10.866 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.832 1.495 -10.428 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.348 1.603 -11.947 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.599 2.647 -12.591 1.00 0.00 H new TER 756 CYS A 56