USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 635 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 82 HIS : no HD1:sc= -4.04! C(o=-3.6!,f=-5.5!) USER MOD Set 1.2: A 92 SER OG : rot 111:sc= 0.405 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= -0.153 (180deg=-0.839) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.262) USER MOD Single : A 52 MET CE :methyl 126:sc= -0.569 (180deg=-1.7) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -4.87 K(o=-4.9,f=-5.7!) USER MOD Single : A 67 LYS NZ :NH3+ -140:sc=-0.00288 (180deg=-0.17) USER MOD Single : A 68 LYS NZ :NH3+ -120:sc= -0.0775 (180deg=-2.16!) USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= -0.0379 (180deg=-0.303) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 148:sc= -0.832 (180deg=-2.35!) USER MOD Single : A 74 ASN : amide:sc= -0.782 K(o=-0.78,f=-3.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -3:sc= 0.847 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 28:sc= -0.293 USER MOD Single : A 105 MET CE :methyl -157:sc= -0.132 (180deg=-1.76) USER MOD Single : A 108 LYS NZ :NH3+ -133:sc= 0.252 (180deg=-0.506) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -42:sc= 0.998 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 45 11.097 7.712 9.630 1.00 0.00 N ATOM 84 CA LYS A 45 9.952 7.653 8.730 1.00 0.00 C ATOM 85 C LYS A 45 10.141 8.597 7.546 1.00 0.00 C ATOM 86 O LYS A 45 9.850 8.242 6.404 1.00 0.00 O ATOM 87 CB LYS A 45 8.667 8.011 9.481 1.00 0.00 C ATOM 88 CG LYS A 45 8.302 7.016 10.568 1.00 0.00 C ATOM 89 CD LYS A 45 8.921 7.396 11.903 1.00 0.00 C ATOM 90 CE LYS A 45 8.004 8.308 12.703 1.00 0.00 C ATOM 91 NZ LYS A 45 8.192 9.740 12.341 1.00 0.00 N ATOM 0 HA LYS A 45 9.872 6.634 8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.780 8.999 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.845 8.075 8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.218 6.968 10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.640 6.021 10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.131 6.494 12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.875 7.895 11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.966 8.023 12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.197 8.174 13.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.889 10.341 13.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.196 9.917 12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.623 9.963 11.500 1.00 0.00 H new ATOM 105 N VAL A 46 10.630 9.800 7.827 1.00 0.00 N ATOM 106 CA VAL A 46 10.861 10.794 6.785 1.00 0.00 C ATOM 107 C VAL A 46 11.412 10.146 5.520 1.00 0.00 C ATOM 108 O VAL A 46 10.755 10.135 4.480 1.00 0.00 O ATOM 109 CB VAL A 46 11.838 11.886 7.258 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.381 12.667 6.071 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.158 12.815 8.252 1.00 0.00 C ATOM 0 H VAL A 46 10.874 10.110 8.767 1.00 0.00 H new ATOM 0 HA VAL A 46 9.897 11.252 6.564 1.00 0.00 H new ATOM 0 HB VAL A 46 12.677 11.405 7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.070 13.434 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.907 11.989 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.556 13.138 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.863 13.581 8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.299 13.290 7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.823 12.241 9.116 1.00 0.00 H new ATOM 121 N GLU A 47 12.624 9.608 5.618 1.00 0.00 N ATOM 122 CA GLU A 47 13.264 8.958 4.480 1.00 0.00 C ATOM 123 C GLU A 47 12.314 7.968 3.813 1.00 0.00 C ATOM 124 O GLU A 47 12.180 7.946 2.589 1.00 0.00 O ATOM 125 CB GLU A 47 14.538 8.237 4.926 1.00 0.00 C ATOM 126 CG GLU A 47 14.371 7.449 6.215 1.00 0.00 C ATOM 127 CD GLU A 47 15.632 6.705 6.610 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.116 5.886 5.801 1.00 0.00 O ATOM 129 OE2 GLU A 47 16.135 6.941 7.729 1.00 0.00 O ATOM 0 H GLU A 47 13.181 9.609 6.472 1.00 0.00 H new ATOM 0 HA GLU A 47 13.526 9.729 3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.858 7.559 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.333 8.971 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.088 8.129 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.554 6.736 6.098 1.00 0.00 H new ATOM 136 N PHE A 48 11.655 7.149 4.627 1.00 0.00 N ATOM 137 CA PHE A 48 10.718 6.155 4.117 1.00 0.00 C ATOM 138 C PHE A 48 9.645 6.812 3.252 1.00 0.00 C ATOM 139 O PHE A 48 9.384 6.376 2.131 1.00 0.00 O ATOM 140 CB PHE A 48 10.063 5.399 5.275 1.00 0.00 C ATOM 141 CG PHE A 48 9.028 4.405 4.832 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.401 3.240 4.181 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.682 4.634 5.068 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.451 2.324 3.773 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.727 3.721 4.662 1.00 0.00 C ATOM 146 CZ PHE A 48 7.112 2.564 4.014 1.00 0.00 C ATOM 0 H PHE A 48 11.753 7.154 5.642 1.00 0.00 H new ATOM 0 HA PHE A 48 11.275 5.450 3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.835 4.879 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.600 6.117 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.446 3.046 3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.375 5.537 5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.755 1.420 3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.681 3.912 4.851 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.368 1.848 3.696 1.00 0.00 H new ATOM 156 N ARG A 49 9.028 7.862 3.783 1.00 0.00 N ATOM 157 CA ARG A 49 7.982 8.579 3.062 1.00 0.00 C ATOM 158 C ARG A 49 8.451 8.957 1.660 1.00 0.00 C ATOM 159 O ARG A 49 7.828 8.589 0.664 1.00 0.00 O ATOM 160 CB ARG A 49 7.572 9.836 3.831 1.00 0.00 C ATOM 161 CG ARG A 49 6.417 10.590 3.194 1.00 0.00 C ATOM 162 CD ARG A 49 5.741 11.519 4.190 1.00 0.00 C ATOM 163 NE ARG A 49 4.654 12.279 3.579 1.00 0.00 N ATOM 164 CZ ARG A 49 4.192 13.424 4.069 1.00 0.00 C ATOM 165 NH1 ARG A 49 4.720 13.939 5.171 1.00 0.00 N ATOM 166 NH2 ARG A 49 3.200 14.057 3.456 1.00 0.00 N ATOM 0 H ARG A 49 9.234 8.236 4.710 1.00 0.00 H new ATOM 0 HA ARG A 49 7.119 7.919 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.295 9.556 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.432 10.502 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.783 11.168 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.688 9.879 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.351 10.935 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.479 12.208 4.601 1.00 0.00 H new ATOM 0 HE ARG A 49 4.226 11.911 2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.483 13.456 5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.363 14.818 5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.792 13.664 2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.846 14.936 3.833 1.00 0.00 H new ATOM 180 N LYS A 50 9.553 9.696 1.590 1.00 0.00 N ATOM 181 CA LYS A 50 10.107 10.125 0.311 1.00 0.00 C ATOM 182 C LYS A 50 10.173 8.961 -0.672 1.00 0.00 C ATOM 183 O LYS A 50 9.693 9.061 -1.801 1.00 0.00 O ATOM 184 CB LYS A 50 11.504 10.718 0.510 1.00 0.00 C ATOM 185 CG LYS A 50 11.536 11.886 1.480 1.00 0.00 C ATOM 186 CD LYS A 50 12.910 12.052 2.107 1.00 0.00 C ATOM 187 CE LYS A 50 13.793 12.974 1.280 1.00 0.00 C ATOM 188 NZ LYS A 50 14.439 12.254 0.148 1.00 0.00 N ATOM 0 H LYS A 50 10.080 10.011 2.404 1.00 0.00 H new ATOM 0 HA LYS A 50 9.450 10.890 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.173 9.937 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.891 11.047 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.260 12.802 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.794 11.730 2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.805 12.454 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.388 11.077 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.195 13.798 0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.561 13.411 1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.247 12.809 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.772 11.324 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.750 12.126 -0.620 1.00 0.00 H new ATOM 202 N ARG A 51 10.768 7.856 -0.234 1.00 0.00 N ATOM 203 CA ARG A 51 10.896 6.672 -1.075 1.00 0.00 C ATOM 204 C ARG A 51 9.535 6.235 -1.609 1.00 0.00 C ATOM 205 O ARG A 51 9.403 5.869 -2.777 1.00 0.00 O ATOM 206 CB ARG A 51 11.539 5.528 -0.289 1.00 0.00 C ATOM 207 CG ARG A 51 12.178 4.468 -1.170 1.00 0.00 C ATOM 208 CD ARG A 51 12.285 3.134 -0.447 1.00 0.00 C ATOM 209 NE ARG A 51 13.315 2.277 -1.029 1.00 0.00 N ATOM 210 CZ ARG A 51 13.672 1.105 -0.516 1.00 0.00 C ATOM 211 NH1 ARG A 51 13.084 0.652 0.584 1.00 0.00 N ATOM 212 NH2 ARG A 51 14.618 0.383 -1.102 1.00 0.00 N ATOM 0 H ARG A 51 11.169 7.756 0.699 1.00 0.00 H new ATOM 0 HA ARG A 51 11.535 6.926 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.296 5.938 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.781 5.059 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.589 4.345 -2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.171 4.798 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.511 3.309 0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.323 2.622 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 51 13.786 2.596 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.356 1.204 1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.360 -0.248 0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.072 0.728 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.891 -0.517 -0.707 1.00 0.00 H new ATOM 226 N MET A 52 8.526 6.275 -0.745 1.00 0.00 N ATOM 227 CA MET A 52 7.175 5.883 -1.130 1.00 0.00 C ATOM 228 C MET A 52 6.625 6.813 -2.207 1.00 0.00 C ATOM 229 O MET A 52 6.006 6.363 -3.171 1.00 0.00 O ATOM 230 CB MET A 52 6.251 5.894 0.089 1.00 0.00 C ATOM 231 CG MET A 52 6.663 4.911 1.173 1.00 0.00 C ATOM 232 SD MET A 52 6.663 3.202 0.598 1.00 0.00 S ATOM 233 CE MET A 52 8.371 3.016 0.091 1.00 0.00 C ATOM 0 H MET A 52 8.618 6.575 0.226 1.00 0.00 H new ATOM 0 HA MET A 52 7.219 4.872 -1.535 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.231 6.899 0.510 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.236 5.663 -0.233 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.659 5.169 1.533 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.984 5.005 2.020 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.806 2.150 0.590 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.417 2.874 -0.989 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.931 3.911 0.363 1.00 0.00 H new ATOM 243 N GLU A 53 6.856 8.111 -2.036 1.00 0.00 N ATOM 244 CA GLU A 53 6.382 9.103 -2.994 1.00 0.00 C ATOM 245 C GLU A 53 6.888 8.788 -4.399 1.00 0.00 C ATOM 246 O GLU A 53 6.128 8.824 -5.367 1.00 0.00 O ATOM 247 CB GLU A 53 6.838 10.504 -2.579 1.00 0.00 C ATOM 248 CG GLU A 53 6.332 10.928 -1.210 1.00 0.00 C ATOM 249 CD GLU A 53 6.775 12.328 -0.832 1.00 0.00 C ATOM 250 OE1 GLU A 53 7.982 12.517 -0.571 1.00 0.00 O ATOM 251 OE2 GLU A 53 5.917 13.234 -0.797 1.00 0.00 O ATOM 0 H GLU A 53 7.368 8.500 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 53 5.293 9.070 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.927 10.538 -2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.495 11.224 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.243 10.880 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.690 10.223 -0.460 1.00 0.00 H new ATOM 258 N LYS A 54 8.176 8.479 -4.502 1.00 0.00 N ATOM 259 CA LYS A 54 8.785 8.156 -5.787 1.00 0.00 C ATOM 260 C LYS A 54 8.201 6.867 -6.357 1.00 0.00 C ATOM 261 O LYS A 54 7.855 6.801 -7.536 1.00 0.00 O ATOM 262 CB LYS A 54 10.301 8.017 -5.635 1.00 0.00 C ATOM 263 CG LYS A 54 11.061 8.192 -6.939 1.00 0.00 C ATOM 264 CD LYS A 54 11.195 9.658 -7.314 1.00 0.00 C ATOM 265 CE LYS A 54 12.331 9.879 -8.302 1.00 0.00 C ATOM 266 NZ LYS A 54 11.911 9.595 -9.702 1.00 0.00 N ATOM 0 H LYS A 54 8.819 8.445 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 54 8.568 8.970 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.655 8.756 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.528 7.035 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.052 7.747 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.545 7.657 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.260 10.010 -7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.372 10.250 -6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.680 10.909 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.172 9.238 -8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.713 9.757 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.601 8.605 -9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.125 10.224 -9.963 1.00 0.00 H new ATOM 280 N GLU A 55 8.093 5.846 -5.513 1.00 0.00 N ATOM 281 CA GLU A 55 7.550 4.560 -5.934 1.00 0.00 C ATOM 282 C GLU A 55 6.114 4.712 -6.428 1.00 0.00 C ATOM 283 O GLU A 55 5.801 4.384 -7.572 1.00 0.00 O ATOM 284 CB GLU A 55 7.602 3.557 -4.780 1.00 0.00 C ATOM 285 CG GLU A 55 9.008 3.095 -4.438 1.00 0.00 C ATOM 286 CD GLU A 55 9.570 2.128 -5.463 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.448 2.411 -6.673 1.00 0.00 O ATOM 288 OE2 GLU A 55 10.132 1.091 -5.054 1.00 0.00 O ATOM 0 H GLU A 55 8.374 5.884 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 55 8.161 4.187 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.152 4.009 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.996 2.688 -5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.664 3.963 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.001 2.617 -3.458 1.00 0.00 H new ATOM 295 N VAL A 56 5.244 5.210 -5.555 1.00 0.00 N ATOM 296 CA VAL A 56 3.841 5.406 -5.900 1.00 0.00 C ATOM 297 C VAL A 56 3.700 6.091 -7.255 1.00 0.00 C ATOM 298 O VAL A 56 3.129 5.528 -8.190 1.00 0.00 O ATOM 299 CB VAL A 56 3.113 6.245 -4.834 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.689 6.550 -5.275 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.121 5.526 -3.493 1.00 0.00 C ATOM 0 H VAL A 56 5.486 5.485 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 56 3.385 4.417 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 56 3.643 7.190 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.190 7.144 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.710 7.109 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.146 5.617 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.602 6.133 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.616 4.565 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.150 5.364 -3.173 1.00 0.00 H new ATOM 311 N SER A 57 4.222 7.309 -7.353 1.00 0.00 N ATOM 312 CA SER A 57 4.151 8.073 -8.593 1.00 0.00 C ATOM 313 C SER A 57 4.567 7.215 -9.785 1.00 0.00 C ATOM 314 O SER A 57 3.830 7.094 -10.764 1.00 0.00 O ATOM 315 CB SER A 57 5.045 9.312 -8.506 1.00 0.00 C ATOM 316 OG SER A 57 4.632 10.304 -9.429 1.00 0.00 O ATOM 0 H SER A 57 4.699 7.788 -6.589 1.00 0.00 H new ATOM 0 HA SER A 57 3.118 8.388 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.014 9.717 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.079 9.033 -8.706 1.00 0.00 H new ATOM 0 HG SER A 57 5.218 11.086 -9.353 1.00 0.00 H new ATOM 322 N ASP A 58 5.753 6.623 -9.694 1.00 0.00 N ATOM 323 CA ASP A 58 6.268 5.775 -10.763 1.00 0.00 C ATOM 324 C ASP A 58 5.219 4.758 -11.203 1.00 0.00 C ATOM 325 O ASP A 58 5.034 4.519 -12.396 1.00 0.00 O ATOM 326 CB ASP A 58 7.536 5.053 -10.304 1.00 0.00 C ATOM 327 CG ASP A 58 8.793 5.845 -10.603 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.781 6.634 -11.571 1.00 0.00 O ATOM 329 OD2 ASP A 58 9.790 5.676 -9.869 1.00 0.00 O ATOM 0 H ASP A 58 6.376 6.715 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 58 6.510 6.412 -11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.475 4.864 -9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.596 4.082 -10.796 1.00 0.00 H new ATOM 334 N PHE A 59 4.537 4.161 -10.231 1.00 0.00 N ATOM 335 CA PHE A 59 3.508 3.168 -10.518 1.00 0.00 C ATOM 336 C PHE A 59 2.318 3.807 -11.228 1.00 0.00 C ATOM 337 O PHE A 59 1.748 3.226 -12.152 1.00 0.00 O ATOM 338 CB PHE A 59 3.044 2.495 -9.225 1.00 0.00 C ATOM 339 CG PHE A 59 1.696 1.844 -9.339 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.537 2.583 -9.163 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.587 0.491 -9.621 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.705 1.986 -9.268 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.347 -0.110 -9.727 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.800 0.638 -9.549 1.00 0.00 C ATOM 0 H PHE A 59 4.678 4.347 -9.238 1.00 0.00 H new ATOM 0 HA PHE A 59 3.939 2.414 -11.177 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.778 1.744 -8.932 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.013 3.238 -8.428 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.605 3.638 -8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.481 -0.100 -9.759 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.601 2.574 -9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.275 -1.164 -9.949 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.770 0.169 -9.630 1.00 0.00 H new ATOM 354 N ILE A 60 1.949 5.006 -10.789 1.00 0.00 N ATOM 355 CA ILE A 60 0.828 5.724 -11.382 1.00 0.00 C ATOM 356 C ILE A 60 1.038 5.932 -12.878 1.00 0.00 C ATOM 357 O ILE A 60 0.194 5.556 -13.690 1.00 0.00 O ATOM 358 CB ILE A 60 0.617 7.093 -10.709 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.132 6.909 -9.269 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.375 7.928 -11.505 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.267 8.155 -8.422 1.00 0.00 C ATOM 0 H ILE A 60 2.410 5.500 -10.025 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.059 5.110 -11.224 1.00 0.00 H new ATOM 0 HB ILE A 60 1.570 7.621 -10.687 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.913 6.600 -9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.697 6.101 -8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.513 8.892 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.008 8.084 -12.514 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.331 7.407 -11.556 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.096 7.951 -7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.315 8.453 -8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.321 8.960 -8.863 1.00 0.00 H new ATOM 373 N GLN A 61 2.169 6.533 -13.233 1.00 0.00 N ATOM 374 CA GLN A 61 2.490 6.790 -14.632 1.00 0.00 C ATOM 375 C GLN A 61 2.506 5.493 -15.434 1.00 0.00 C ATOM 376 O GLN A 61 1.996 5.438 -16.553 1.00 0.00 O ATOM 377 CB GLN A 61 3.845 7.490 -14.745 1.00 0.00 C ATOM 378 CG GLN A 61 3.927 8.788 -13.957 1.00 0.00 C ATOM 379 CD GLN A 61 5.051 9.688 -14.431 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.098 9.214 -14.873 1.00 0.00 O ATOM 381 NE2 GLN A 61 4.840 10.996 -14.342 1.00 0.00 N ATOM 0 H GLN A 61 2.878 6.851 -12.572 1.00 0.00 H new ATOM 0 HA GLN A 61 1.717 7.440 -15.043 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.625 6.813 -14.396 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.050 7.698 -15.795 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.980 9.321 -14.042 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.071 8.559 -12.901 1.00 0.00 H new ATOM 0 HE21 GLN A 61 3.957 11.346 -13.969 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.561 11.651 -14.646 1.00 0.00 H new ATOM 390 N ASP A 62 3.094 4.452 -14.855 1.00 0.00 N ATOM 391 CA ASP A 62 3.175 3.155 -15.515 1.00 0.00 C ATOM 392 C ASP A 62 1.783 2.592 -15.783 1.00 0.00 C ATOM 393 O ASP A 62 1.038 2.284 -14.852 1.00 0.00 O ATOM 394 CB ASP A 62 3.980 2.173 -14.662 1.00 0.00 C ATOM 395 CG ASP A 62 5.473 2.290 -14.898 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.980 1.630 -15.830 1.00 0.00 O ATOM 397 OD2 ASP A 62 6.135 3.041 -14.152 1.00 0.00 O ATOM 0 H ASP A 62 3.522 4.481 -13.929 1.00 0.00 H new ATOM 0 HA ASP A 62 3.681 3.294 -16.470 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.767 2.352 -13.608 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.659 1.155 -14.884 1.00 0.00 H new ATOM 402 N SER A 63 1.437 2.463 -17.060 1.00 0.00 N ATOM 403 CA SER A 63 0.132 1.942 -17.449 1.00 0.00 C ATOM 404 C SER A 63 0.066 0.432 -17.245 1.00 0.00 C ATOM 405 O SER A 63 -0.881 -0.086 -16.655 1.00 0.00 O ATOM 406 CB SER A 63 -0.161 2.284 -18.912 1.00 0.00 C ATOM 407 OG SER A 63 0.018 3.668 -19.158 1.00 0.00 O ATOM 0 H SER A 63 2.042 2.712 -17.842 1.00 0.00 H new ATOM 0 HA SER A 63 -0.622 2.409 -16.815 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.497 1.708 -19.562 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.183 1.997 -19.158 1.00 0.00 H new ATOM 0 HG SER A 63 -0.174 3.860 -20.100 1.00 0.00 H new ATOM 413 N GLY A 64 1.082 -0.270 -17.739 1.00 0.00 N ATOM 414 CA GLY A 64 1.121 -1.715 -17.601 1.00 0.00 C ATOM 415 C GLY A 64 0.792 -2.172 -16.194 1.00 0.00 C ATOM 416 O GLY A 64 0.071 -3.151 -16.006 1.00 0.00 O ATOM 0 H GLY A 64 1.878 0.135 -18.232 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.414 -2.163 -18.300 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.112 -2.076 -17.875 1.00 0.00 H new ATOM 420 N GLN A 65 1.324 -1.463 -15.203 1.00 0.00 N ATOM 421 CA GLN A 65 1.085 -1.805 -13.806 1.00 0.00 C ATOM 422 C GLN A 65 -0.296 -1.335 -13.360 1.00 0.00 C ATOM 423 O GLN A 65 -0.585 -0.138 -13.360 1.00 0.00 O ATOM 424 CB GLN A 65 2.161 -1.181 -12.915 1.00 0.00 C ATOM 425 CG GLN A 65 3.535 -1.807 -13.093 1.00 0.00 C ATOM 426 CD GLN A 65 4.353 -1.120 -14.168 1.00 0.00 C ATOM 427 OE1 GLN A 65 5.186 -0.261 -13.877 1.00 0.00 O ATOM 428 NE2 GLN A 65 4.121 -1.497 -15.420 1.00 0.00 N ATOM 0 H GLN A 65 1.923 -0.649 -15.342 1.00 0.00 H new ATOM 0 HA GLN A 65 1.129 -2.890 -13.711 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.226 -0.114 -13.130 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.859 -1.278 -11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.075 -1.764 -12.147 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.420 -2.861 -13.347 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.421 -2.213 -15.616 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.643 -1.071 -16.186 1.00 0.00 H new ATOM 437 N ILE A 66 -1.145 -2.285 -12.982 1.00 0.00 N ATOM 438 CA ILE A 66 -2.495 -1.967 -12.533 1.00 0.00 C ATOM 439 C ILE A 66 -2.584 -1.973 -11.011 1.00 0.00 C ATOM 440 O ILE A 66 -3.497 -1.388 -10.428 1.00 0.00 O ATOM 441 CB ILE A 66 -3.525 -2.962 -13.100 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.175 -4.390 -12.675 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.586 -2.855 -14.616 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.381 -5.293 -12.542 1.00 0.00 C ATOM 0 H ILE A 66 -0.922 -3.280 -12.978 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.724 -0.968 -12.904 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.507 -2.714 -12.698 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.488 -4.820 -13.404 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.648 -4.358 -11.721 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.318 -3.564 -15.002 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.877 -1.843 -14.898 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.606 -3.081 -15.036 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.058 -6.289 -12.238 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.059 -4.887 -11.791 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.896 -5.355 -13.500 1.00 0.00 H new ATOM 456 N LYS A 67 -1.628 -2.637 -10.370 1.00 0.00 N ATOM 457 CA LYS A 67 -1.595 -2.718 -8.915 1.00 0.00 C ATOM 458 C LYS A 67 -0.178 -2.987 -8.417 1.00 0.00 C ATOM 459 O LYS A 67 0.716 -3.309 -9.200 1.00 0.00 O ATOM 460 CB LYS A 67 -2.537 -3.818 -8.423 1.00 0.00 C ATOM 461 CG LYS A 67 -2.077 -5.220 -8.783 1.00 0.00 C ATOM 462 CD LYS A 67 -3.238 -6.200 -8.808 1.00 0.00 C ATOM 463 CE LYS A 67 -2.762 -7.622 -9.059 1.00 0.00 C ATOM 464 NZ LYS A 67 -2.116 -7.763 -10.394 1.00 0.00 N ATOM 0 H LYS A 67 -0.865 -3.127 -10.836 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.926 -1.759 -8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.634 -3.744 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.528 -3.651 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.592 -5.205 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.332 -5.556 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.773 -6.156 -7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.944 -5.909 -9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.055 -7.911 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.608 -8.306 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.401 -8.666 -10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.413 -6.978 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.082 -7.744 -10.283 1.00 0.00 H new ATOM 478 N LYS A 68 0.020 -2.855 -7.110 1.00 0.00 N ATOM 479 CA LYS A 68 1.327 -3.087 -6.506 1.00 0.00 C ATOM 480 C LYS A 68 1.183 -3.685 -5.110 1.00 0.00 C ATOM 481 O LYS A 68 0.390 -3.208 -4.297 1.00 0.00 O ATOM 482 CB LYS A 68 2.116 -1.778 -6.432 1.00 0.00 C ATOM 483 CG LYS A 68 3.388 -1.880 -5.607 1.00 0.00 C ATOM 484 CD LYS A 68 4.318 -0.707 -5.868 1.00 0.00 C ATOM 485 CE LYS A 68 5.237 -0.977 -7.049 1.00 0.00 C ATOM 486 NZ LYS A 68 5.617 0.278 -7.755 1.00 0.00 N ATOM 0 H LYS A 68 -0.709 -2.588 -6.448 1.00 0.00 H new ATOM 0 HA LYS A 68 1.868 -3.796 -7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.373 -1.461 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.478 -1.003 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.134 -1.915 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.902 -2.812 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.729 0.190 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.916 -0.510 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.137 -1.484 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.742 -1.651 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.299 0.230 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.168 1.090 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.650 0.392 -7.729 1.00 0.00 H new ATOM 500 N LYS A 69 1.955 -4.731 -4.837 1.00 0.00 N ATOM 501 CA LYS A 69 1.916 -5.394 -3.539 1.00 0.00 C ATOM 502 C LYS A 69 3.149 -5.044 -2.713 1.00 0.00 C ATOM 503 O LYS A 69 4.244 -5.544 -2.971 1.00 0.00 O ATOM 504 CB LYS A 69 1.823 -6.910 -3.720 1.00 0.00 C ATOM 505 CG LYS A 69 1.423 -7.650 -2.455 1.00 0.00 C ATOM 506 CD LYS A 69 2.617 -7.886 -1.545 1.00 0.00 C ATOM 507 CE LYS A 69 2.444 -9.148 -0.714 1.00 0.00 C ATOM 508 NZ LYS A 69 2.519 -10.378 -1.550 1.00 0.00 N ATOM 0 H LYS A 69 2.616 -5.138 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 69 1.032 -5.044 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.099 -7.130 -4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.787 -7.287 -4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.665 -7.076 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.971 -8.606 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.523 -7.966 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.747 -7.029 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.215 -9.185 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.483 -9.116 -0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.770 -11.190 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.596 -10.550 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.243 -10.254 -2.286 1.00 0.00 H new ATOM 522 N PHE A 70 2.965 -4.183 -1.717 1.00 0.00 N ATOM 523 CA PHE A 70 4.063 -3.767 -0.852 1.00 0.00 C ATOM 524 C PHE A 70 4.288 -4.780 0.266 1.00 0.00 C ATOM 525 O PHE A 70 3.380 -5.524 0.635 1.00 0.00 O ATOM 526 CB PHE A 70 3.776 -2.387 -0.256 1.00 0.00 C ATOM 527 CG PHE A 70 3.970 -1.261 -1.231 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.238 -0.924 -1.676 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.885 -0.539 -1.701 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.421 0.111 -2.573 1.00 0.00 C ATOM 531 CE2 PHE A 70 3.062 0.497 -2.598 1.00 0.00 C ATOM 532 CZ PHE A 70 4.331 0.824 -3.034 1.00 0.00 C ATOM 0 H PHE A 70 2.065 -3.760 -1.489 1.00 0.00 H new ATOM 0 HA PHE A 70 4.968 -3.713 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.750 -2.365 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.427 -2.229 0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.094 -1.477 -1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.890 -0.789 -1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.415 0.362 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.208 1.051 -2.958 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.471 1.635 -3.733 1.00 0.00 H new ATOM 542 N GLN A 71 5.505 -4.802 0.801 1.00 0.00 N ATOM 543 CA GLN A 71 5.850 -5.724 1.876 1.00 0.00 C ATOM 544 C GLN A 71 5.903 -5.000 3.217 1.00 0.00 C ATOM 545 O GLN A 71 6.411 -3.884 3.329 1.00 0.00 O ATOM 546 CB GLN A 71 7.195 -6.393 1.590 1.00 0.00 C ATOM 547 CG GLN A 71 7.384 -7.715 2.317 1.00 0.00 C ATOM 548 CD GLN A 71 8.654 -8.432 1.903 1.00 0.00 C ATOM 549 OE1 GLN A 71 8.748 -8.963 0.796 1.00 0.00 O ATOM 550 NE2 GLN A 71 9.639 -8.452 2.793 1.00 0.00 N ATOM 0 H GLN A 71 6.268 -4.192 0.507 1.00 0.00 H new ATOM 0 HA GLN A 71 5.076 -6.489 1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.287 -6.562 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.998 -5.713 1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.407 -7.534 3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.527 -8.359 2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.517 -7.999 3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.517 -8.921 2.571 1.00 0.00 H new ATOM 559 N PRO A 72 5.366 -5.649 4.262 1.00 0.00 N ATOM 560 CA PRO A 72 5.340 -5.086 5.615 1.00 0.00 C ATOM 561 C PRO A 72 6.729 -5.022 6.243 1.00 0.00 C ATOM 562 O PRO A 72 7.158 -5.957 6.918 1.00 0.00 O ATOM 563 CB PRO A 72 4.448 -6.061 6.388 1.00 0.00 C ATOM 564 CG PRO A 72 4.567 -7.349 5.649 1.00 0.00 C ATOM 565 CD PRO A 72 4.744 -6.982 4.202 1.00 0.00 C ATOM 0 HA PRO A 72 4.977 -4.058 5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.778 -6.165 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.415 -5.715 6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.416 -7.929 6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.678 -7.963 5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.379 -7.698 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.791 -6.957 3.674 1.00 0.00 H new ATOM 573 N MET A 73 7.425 -3.913 6.016 1.00 0.00 N ATOM 574 CA MET A 73 8.765 -3.727 6.562 1.00 0.00 C ATOM 575 C MET A 73 8.701 -3.205 7.994 1.00 0.00 C ATOM 576 O MET A 73 9.453 -3.649 8.860 1.00 0.00 O ATOM 577 CB MET A 73 9.564 -2.758 5.689 1.00 0.00 C ATOM 578 CG MET A 73 10.051 -3.374 4.387 1.00 0.00 C ATOM 579 SD MET A 73 10.182 -2.166 3.054 1.00 0.00 S ATOM 580 CE MET A 73 8.453 -1.815 2.744 1.00 0.00 C ATOM 0 H MET A 73 7.084 -3.130 5.458 1.00 0.00 H new ATOM 0 HA MET A 73 9.265 -4.695 6.569 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.944 -1.891 5.462 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.423 -2.396 6.254 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.024 -3.837 4.550 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.367 -4.168 4.087 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.344 -0.780 2.421 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.081 -2.480 1.964 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.880 -1.972 3.658 1.00 0.00 H new ATOM 590 N ASN A 74 7.798 -2.260 8.235 1.00 0.00 N ATOM 591 CA ASN A 74 7.637 -1.677 9.562 1.00 0.00 C ATOM 592 C ASN A 74 6.180 -1.736 10.009 1.00 0.00 C ATOM 593 O ASN A 74 5.307 -2.178 9.262 1.00 0.00 O ATOM 594 CB ASN A 74 8.126 -0.227 9.568 1.00 0.00 C ATOM 595 CG ASN A 74 8.612 0.214 10.935 1.00 0.00 C ATOM 596 OD1 ASN A 74 8.898 -0.613 11.801 1.00 0.00 O ATOM 597 ND2 ASN A 74 8.706 1.523 11.135 1.00 0.00 N ATOM 0 H ASN A 74 7.167 -1.882 7.529 1.00 0.00 H new ATOM 0 HA ASN A 74 8.237 -2.258 10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.934 -0.116 8.845 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.317 0.428 9.245 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.026 1.880 12.035 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.458 2.172 10.388 1.00 0.00 H new ATOM 604 N LYS A 75 5.924 -1.286 11.233 1.00 0.00 N ATOM 605 CA LYS A 75 4.572 -1.285 11.780 1.00 0.00 C ATOM 606 C LYS A 75 3.843 0.007 11.426 1.00 0.00 C ATOM 607 O LYS A 75 2.645 -0.005 11.138 1.00 0.00 O ATOM 608 CB LYS A 75 4.616 -1.458 13.300 1.00 0.00 C ATOM 609 CG LYS A 75 3.362 -2.092 13.877 1.00 0.00 C ATOM 610 CD LYS A 75 3.597 -2.615 15.283 1.00 0.00 C ATOM 611 CE LYS A 75 2.496 -3.571 15.714 1.00 0.00 C ATOM 612 NZ LYS A 75 2.760 -4.152 17.060 1.00 0.00 N ATOM 0 H LYS A 75 6.635 -0.917 11.865 1.00 0.00 H new ATOM 0 HA LYS A 75 4.028 -2.121 11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.477 -2.072 13.562 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.767 -0.483 13.764 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.556 -1.358 13.891 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.038 -2.910 13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.560 -3.124 15.327 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.647 -1.778 15.980 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.542 -3.044 15.727 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.406 -4.375 14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.987 -4.798 17.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.658 -4.677 17.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.820 -3.387 17.762 1.00 0.00 H new ATOM 626 N ILE A 76 4.571 1.118 11.448 1.00 0.00 N ATOM 627 CA ILE A 76 3.993 2.416 11.126 1.00 0.00 C ATOM 628 C ILE A 76 4.075 2.699 9.630 1.00 0.00 C ATOM 629 O ILE A 76 3.170 3.300 9.051 1.00 0.00 O ATOM 630 CB ILE A 76 4.698 3.552 11.891 1.00 0.00 C ATOM 631 CG1 ILE A 76 4.597 3.320 13.400 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.096 4.898 11.515 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.175 3.171 13.894 1.00 0.00 C ATOM 0 H ILE A 76 5.563 1.145 11.686 1.00 0.00 H new ATOM 0 HA ILE A 76 2.947 2.379 11.430 1.00 0.00 H new ATOM 0 HB ILE A 76 5.752 3.557 11.613 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.159 2.423 13.660 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.068 4.154 13.920 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.605 5.690 12.064 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.216 5.064 10.444 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.036 4.905 11.767 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.179 3.009 14.972 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.614 4.077 13.665 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.706 2.319 13.401 1.00 0.00 H new ATOM 645 N GLU A 77 5.165 2.260 9.009 1.00 0.00 N ATOM 646 CA GLU A 77 5.364 2.466 7.579 1.00 0.00 C ATOM 647 C GLU A 77 4.065 2.243 6.811 1.00 0.00 C ATOM 648 O GLU A 77 3.837 2.850 5.765 1.00 0.00 O ATOM 649 CB GLU A 77 6.449 1.524 7.052 1.00 0.00 C ATOM 650 CG GLU A 77 7.862 2.023 7.300 1.00 0.00 C ATOM 651 CD GLU A 77 8.914 1.139 6.659 1.00 0.00 C ATOM 652 OE1 GLU A 77 8.742 -0.097 6.679 1.00 0.00 O ATOM 653 OE2 GLU A 77 9.910 1.684 6.137 1.00 0.00 O ATOM 0 H GLU A 77 5.923 1.760 9.473 1.00 0.00 H new ATOM 0 HA GLU A 77 5.683 3.497 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.330 0.548 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.306 1.382 5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.959 3.037 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.042 2.075 8.374 1.00 0.00 H new ATOM 660 N ARG A 78 3.216 1.367 7.338 1.00 0.00 N ATOM 661 CA ARG A 78 1.940 1.062 6.703 1.00 0.00 C ATOM 662 C ARG A 78 1.078 2.315 6.583 1.00 0.00 C ATOM 663 O ARG A 78 0.683 2.706 5.485 1.00 0.00 O ATOM 664 CB ARG A 78 1.192 -0.010 7.499 1.00 0.00 C ATOM 665 CG ARG A 78 0.123 -0.731 6.695 1.00 0.00 C ATOM 666 CD ARG A 78 -1.135 0.112 6.558 1.00 0.00 C ATOM 667 NE ARG A 78 -1.780 0.346 7.847 1.00 0.00 N ATOM 668 CZ ARG A 78 -3.073 0.620 7.983 1.00 0.00 C ATOM 669 NH1 ARG A 78 -3.854 0.694 6.914 1.00 0.00 N ATOM 670 NH2 ARG A 78 -3.587 0.821 9.190 1.00 0.00 N ATOM 0 H ARG A 78 3.389 0.856 8.204 1.00 0.00 H new ATOM 0 HA ARG A 78 2.144 0.685 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.910 -0.741 7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.729 0.453 8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.511 -0.971 5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.122 -1.676 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.882 1.068 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.835 -0.387 5.888 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.207 0.296 8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.462 0.540 5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.846 0.904 7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.989 0.765 10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.580 1.031 9.293 1.00 0.00 H new ATOM 684 N SER A 79 0.791 2.941 7.720 1.00 0.00 N ATOM 685 CA SER A 79 -0.027 4.148 7.744 1.00 0.00 C ATOM 686 C SER A 79 0.606 5.249 6.899 1.00 0.00 C ATOM 687 O SER A 79 -0.083 5.950 6.156 1.00 0.00 O ATOM 688 CB SER A 79 -0.213 4.635 9.182 1.00 0.00 C ATOM 689 OG SER A 79 -0.795 5.927 9.211 1.00 0.00 O ATOM 0 H SER A 79 1.113 2.632 8.637 1.00 0.00 H new ATOM 0 HA SER A 79 -1.002 3.905 7.322 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.846 3.935 9.727 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.751 4.655 9.690 1.00 0.00 H new ATOM 0 HG SER A 79 -0.905 6.215 10.141 1.00 0.00 H new ATOM 695 N ILE A 80 1.921 5.396 7.018 1.00 0.00 N ATOM 696 CA ILE A 80 2.647 6.411 6.265 1.00 0.00 C ATOM 697 C ILE A 80 2.382 6.280 4.769 1.00 0.00 C ATOM 698 O ILE A 80 1.948 7.231 4.118 1.00 0.00 O ATOM 699 CB ILE A 80 4.164 6.320 6.516 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.460 6.393 8.015 1.00 0.00 C ATOM 701 CG2 ILE A 80 4.892 7.430 5.772 1.00 0.00 C ATOM 702 CD1 ILE A 80 5.781 5.764 8.402 1.00 0.00 C ATOM 0 H ILE A 80 2.505 4.825 7.629 1.00 0.00 H new ATOM 0 HA ILE A 80 2.287 7.379 6.612 1.00 0.00 H new ATOM 0 HB ILE A 80 4.523 5.362 6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.459 7.437 8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.657 5.897 8.560 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.963 7.352 5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.703 7.336 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.532 8.398 6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.924 5.852 9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.778 4.711 8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.593 6.275 7.885 1.00 0.00 H new ATOM 714 N LEU A 81 2.645 5.095 4.228 1.00 0.00 N ATOM 715 CA LEU A 81 2.433 4.838 2.808 1.00 0.00 C ATOM 716 C LEU A 81 0.990 5.132 2.411 1.00 0.00 C ATOM 717 O LEU A 81 0.736 5.812 1.416 1.00 0.00 O ATOM 718 CB LEU A 81 2.780 3.385 2.475 1.00 0.00 C ATOM 719 CG LEU A 81 2.458 2.928 1.052 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.298 3.693 0.043 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.683 1.430 0.910 1.00 0.00 C ATOM 0 H LEU A 81 3.005 4.297 4.752 1.00 0.00 H new ATOM 0 HA LEU A 81 3.088 5.500 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.846 3.237 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.250 2.737 3.172 1.00 0.00 H new ATOM 0 HG LEU A 81 1.407 3.138 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.055 3.354 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.087 4.759 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.355 3.515 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.449 1.122 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.725 1.196 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.037 0.897 1.608 1.00 0.00 H new ATOM 733 N HIS A 82 0.049 4.619 3.196 1.00 0.00 N ATOM 734 CA HIS A 82 -1.369 4.829 2.928 1.00 0.00 C ATOM 735 C HIS A 82 -1.656 6.301 2.645 1.00 0.00 C ATOM 736 O HIS A 82 -2.343 6.635 1.680 1.00 0.00 O ATOM 737 CB HIS A 82 -2.210 4.351 4.112 1.00 0.00 C ATOM 738 CG HIS A 82 -2.618 2.914 4.015 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.925 2.513 3.830 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.884 1.779 4.078 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.976 1.194 3.785 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.750 0.724 3.932 1.00 0.00 N ATOM 0 H HIS A 82 0.243 4.055 4.023 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.637 4.249 2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.644 4.498 5.032 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.104 4.970 4.185 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.815 1.715 4.217 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.868 0.600 3.651 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.489 -0.262 3.936 1.00 0.00 H new ATOM 750 N ASP A 83 -1.126 7.175 3.494 1.00 0.00 N ATOM 751 CA ASP A 83 -1.325 8.611 3.335 1.00 0.00 C ATOM 752 C ASP A 83 -0.761 9.094 2.003 1.00 0.00 C ATOM 753 O ASP A 83 -1.450 9.762 1.231 1.00 0.00 O ATOM 754 CB ASP A 83 -0.665 9.369 4.488 1.00 0.00 C ATOM 755 CG ASP A 83 -1.218 10.771 4.651 1.00 0.00 C ATOM 756 OD1 ASP A 83 -0.963 11.616 3.767 1.00 0.00 O ATOM 757 OD2 ASP A 83 -1.905 11.025 5.662 1.00 0.00 O ATOM 0 H ASP A 83 -0.556 6.914 4.299 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.397 8.808 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.811 8.814 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.410 9.423 4.315 1.00 0.00 H new ATOM 762 N VAL A 84 0.496 8.753 1.740 1.00 0.00 N ATOM 763 CA VAL A 84 1.153 9.151 0.501 1.00 0.00 C ATOM 764 C VAL A 84 0.326 8.748 -0.715 1.00 0.00 C ATOM 765 O VAL A 84 0.290 9.460 -1.719 1.00 0.00 O ATOM 766 CB VAL A 84 2.556 8.526 0.383 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.189 8.883 -0.953 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.438 8.977 1.537 1.00 0.00 C ATOM 0 H VAL A 84 1.080 8.202 2.369 1.00 0.00 H new ATOM 0 HA VAL A 84 1.248 10.237 0.529 1.00 0.00 H new ATOM 0 HB VAL A 84 2.457 7.442 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.180 8.433 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.565 8.506 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.277 9.966 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.425 8.526 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.532 10.063 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.990 8.666 2.481 1.00 0.00 H new ATOM 778 N VAL A 85 -0.340 7.602 -0.617 1.00 0.00 N ATOM 779 CA VAL A 85 -1.170 7.104 -1.707 1.00 0.00 C ATOM 780 C VAL A 85 -2.415 7.964 -1.887 1.00 0.00 C ATOM 781 O VAL A 85 -2.569 8.645 -2.900 1.00 0.00 O ATOM 782 CB VAL A 85 -1.597 5.644 -1.466 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.598 5.199 -2.521 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.383 4.729 -1.452 1.00 0.00 C ATOM 0 H VAL A 85 -0.321 7.001 0.207 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.565 7.152 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.081 5.582 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.888 4.165 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.481 5.837 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.144 5.276 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.704 3.701 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.132 4.793 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.294 5.035 -0.655 1.00 0.00 H new ATOM 794 N GLU A 86 -3.301 7.927 -0.897 1.00 0.00 N ATOM 795 CA GLU A 86 -4.535 8.704 -0.947 1.00 0.00 C ATOM 796 C GLU A 86 -4.279 10.094 -1.521 1.00 0.00 C ATOM 797 O GLU A 86 -5.134 10.666 -2.197 1.00 0.00 O ATOM 798 CB GLU A 86 -5.146 8.822 0.451 1.00 0.00 C ATOM 799 CG GLU A 86 -4.443 9.834 1.339 1.00 0.00 C ATOM 800 CD GLU A 86 -5.312 10.303 2.490 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.274 9.663 3.562 1.00 0.00 O ATOM 802 OE2 GLU A 86 -6.030 11.310 2.319 1.00 0.00 O ATOM 0 H GLU A 86 -3.188 7.368 -0.051 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.236 8.184 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.196 9.101 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.118 7.845 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.529 9.391 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.146 10.694 0.739 1.00 0.00 H new ATOM 809 N VAL A 87 -3.095 10.633 -1.246 1.00 0.00 N ATOM 810 CA VAL A 87 -2.725 11.956 -1.735 1.00 0.00 C ATOM 811 C VAL A 87 -2.343 11.909 -3.210 1.00 0.00 C ATOM 812 O VAL A 87 -2.675 12.813 -3.977 1.00 0.00 O ATOM 813 CB VAL A 87 -1.551 12.544 -0.930 1.00 0.00 C ATOM 814 CG1 VAL A 87 -1.136 13.892 -1.499 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.923 12.668 0.540 1.00 0.00 C ATOM 0 H VAL A 87 -2.376 10.174 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.598 12.596 -1.609 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.702 11.866 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.305 14.292 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.827 13.769 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.978 14.582 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.082 13.085 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.787 13.325 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.167 11.683 0.938 1.00 0.00 H new ATOM 825 N ALA A 88 -1.643 10.850 -3.601 1.00 0.00 N ATOM 826 CA ALA A 88 -1.217 10.684 -4.985 1.00 0.00 C ATOM 827 C ALA A 88 -2.417 10.538 -5.915 1.00 0.00 C ATOM 828 O ALA A 88 -2.384 10.982 -7.062 1.00 0.00 O ATOM 829 CB ALA A 88 -0.297 9.479 -5.114 1.00 0.00 C ATOM 0 H ALA A 88 -1.359 10.094 -2.979 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.669 11.579 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.013 9.368 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.582 9.624 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.826 8.581 -4.795 1.00 0.00 H new ATOM 835 N GLY A 89 -3.476 9.910 -5.413 1.00 0.00 N ATOM 836 CA GLY A 89 -4.671 9.716 -6.213 1.00 0.00 C ATOM 837 C GLY A 89 -4.912 8.258 -6.551 1.00 0.00 C ATOM 838 O GLY A 89 -5.442 7.939 -7.616 1.00 0.00 O ATOM 0 H GLY A 89 -3.528 9.532 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.533 10.108 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.584 10.290 -7.135 1.00 0.00 H new ATOM 842 N LEU A 90 -4.520 7.369 -5.644 1.00 0.00 N ATOM 843 CA LEU A 90 -4.694 5.936 -5.852 1.00 0.00 C ATOM 844 C LEU A 90 -5.422 5.299 -4.673 1.00 0.00 C ATOM 845 O LEU A 90 -5.611 5.929 -3.631 1.00 0.00 O ATOM 846 CB LEU A 90 -3.337 5.261 -6.053 1.00 0.00 C ATOM 847 CG LEU A 90 -2.530 5.724 -7.266 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.094 5.230 -7.172 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.179 5.240 -8.555 1.00 0.00 C ATOM 0 H LEU A 90 -4.080 7.616 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.299 5.795 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.736 5.425 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.497 4.186 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.518 6.814 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.535 5.569 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.632 5.626 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.086 4.141 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.591 5.579 -9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.222 4.151 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.189 5.643 -8.627 1.00 0.00 H new ATOM 861 N THR A 91 -5.829 4.045 -4.842 1.00 0.00 N ATOM 862 CA THR A 91 -6.535 3.322 -3.792 1.00 0.00 C ATOM 863 C THR A 91 -5.566 2.519 -2.930 1.00 0.00 C ATOM 864 O THR A 91 -4.784 1.718 -3.440 1.00 0.00 O ATOM 865 CB THR A 91 -7.592 2.368 -4.379 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.517 3.102 -5.190 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.344 1.645 -3.272 1.00 0.00 C ATOM 0 H THR A 91 -5.682 3.509 -5.697 1.00 0.00 H new ATOM 0 HA THR A 91 -7.034 4.069 -3.175 1.00 0.00 H new ATOM 0 HB THR A 91 -7.080 1.627 -4.992 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.185 2.488 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.085 0.977 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.642 1.064 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.845 2.375 -2.636 1.00 0.00 H new ATOM 875 N SER A 92 -5.625 2.740 -1.620 1.00 0.00 N ATOM 876 CA SER A 92 -4.751 2.039 -0.687 1.00 0.00 C ATOM 877 C SER A 92 -5.554 1.109 0.216 1.00 0.00 C ATOM 878 O SER A 92 -6.728 1.356 0.495 1.00 0.00 O ATOM 879 CB SER A 92 -3.967 3.041 0.162 1.00 0.00 C ATOM 880 OG SER A 92 -4.825 3.740 1.047 1.00 0.00 O ATOM 0 H SER A 92 -6.269 3.399 -1.181 1.00 0.00 H new ATOM 0 HA SER A 92 -4.050 1.438 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.200 2.517 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.454 3.750 -0.488 1.00 0.00 H new ATOM 0 HG SER A 92 -4.641 3.462 1.969 1.00 0.00 H new ATOM 886 N PHE A 93 -4.914 0.037 0.671 1.00 0.00 N ATOM 887 CA PHE A 93 -5.568 -0.932 1.543 1.00 0.00 C ATOM 888 C PHE A 93 -4.543 -1.856 2.195 1.00 0.00 C ATOM 889 O PHE A 93 -3.396 -1.937 1.755 1.00 0.00 O ATOM 890 CB PHE A 93 -6.584 -1.757 0.751 1.00 0.00 C ATOM 891 CG PHE A 93 -7.852 -1.013 0.445 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.597 -0.439 1.463 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.299 -0.886 -0.860 1.00 0.00 C ATOM 894 CE1 PHE A 93 -9.765 0.245 1.184 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.466 -0.202 -1.145 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.199 0.365 -0.122 1.00 0.00 C ATOM 0 H PHE A 93 -3.943 -0.183 0.450 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.088 -0.384 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.127 -2.080 -0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.828 -2.657 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.261 -0.527 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.729 -1.327 -1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.338 0.685 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.804 -0.111 -2.167 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.110 0.901 -0.342 1.00 0.00 H new ATOM 906 N SER A 94 -4.965 -2.550 3.247 1.00 0.00 N ATOM 907 CA SER A 94 -4.084 -3.465 3.963 1.00 0.00 C ATOM 908 C SER A 94 -4.690 -4.863 4.028 1.00 0.00 C ATOM 909 O SER A 94 -5.855 -5.032 4.391 1.00 0.00 O ATOM 910 CB SER A 94 -3.817 -2.947 5.377 1.00 0.00 C ATOM 911 OG SER A 94 -2.564 -3.402 5.859 1.00 0.00 O ATOM 0 H SER A 94 -5.912 -2.496 3.622 1.00 0.00 H new ATOM 0 HA SER A 94 -3.141 -3.522 3.420 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.837 -1.857 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.610 -3.281 6.046 1.00 0.00 H new ATOM 0 HG SER A 94 -2.155 -3.997 5.196 1.00 0.00 H new ATOM 917 N PHE A 95 -3.892 -5.865 3.674 1.00 0.00 N ATOM 918 CA PHE A 95 -4.348 -7.250 3.690 1.00 0.00 C ATOM 919 C PHE A 95 -3.256 -8.176 4.217 1.00 0.00 C ATOM 920 O PHE A 95 -2.130 -8.171 3.722 1.00 0.00 O ATOM 921 CB PHE A 95 -4.770 -7.687 2.286 1.00 0.00 C ATOM 922 CG PHE A 95 -5.617 -6.673 1.571 1.00 0.00 C ATOM 923 CD1 PHE A 95 -6.997 -6.697 1.691 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.034 -5.696 0.781 1.00 0.00 C ATOM 925 CE1 PHE A 95 -7.779 -5.766 1.034 1.00 0.00 C ATOM 926 CE2 PHE A 95 -5.811 -4.761 0.122 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.185 -4.796 0.250 1.00 0.00 C ATOM 0 H PHE A 95 -2.925 -5.743 3.372 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.208 -7.315 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.878 -7.886 1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.322 -8.624 2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.467 -7.451 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.959 -5.664 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.854 -5.797 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.344 -4.005 -0.492 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.795 -4.066 -0.262 1.00 0.00 H new ATOM 937 N GLY A 96 -3.599 -8.971 5.227 1.00 0.00 N ATOM 938 CA GLY A 96 -2.638 -9.891 5.805 1.00 0.00 C ATOM 939 C GLY A 96 -3.240 -11.252 6.095 1.00 0.00 C ATOM 940 O GLY A 96 -4.429 -11.360 6.391 1.00 0.00 O ATOM 0 H GLY A 96 -4.525 -8.994 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.796 -10.008 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.244 -9.467 6.729 1.00 0.00 H new ATOM 944 N GLU A 97 -2.417 -12.292 6.008 1.00 0.00 N ATOM 945 CA GLU A 97 -2.877 -13.653 6.261 1.00 0.00 C ATOM 946 C GLU A 97 -3.071 -13.892 7.755 1.00 0.00 C ATOM 947 O GLU A 97 -4.094 -14.427 8.181 1.00 0.00 O ATOM 948 CB GLU A 97 -1.879 -14.666 5.696 1.00 0.00 C ATOM 949 CG GLU A 97 -1.871 -14.732 4.178 1.00 0.00 C ATOM 950 CD GLU A 97 -0.953 -15.815 3.645 1.00 0.00 C ATOM 951 OE1 GLU A 97 -1.105 -16.981 4.064 1.00 0.00 O ATOM 952 OE2 GLU A 97 -0.083 -15.495 2.808 1.00 0.00 O ATOM 0 H GLU A 97 -1.429 -12.219 5.765 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.837 -13.784 5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.878 -14.411 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.113 -15.654 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.885 -14.912 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.559 -13.767 3.778 1.00 0.00 H new ATOM 959 N ASP A 98 -2.081 -13.493 8.546 1.00 0.00 N ATOM 960 CA ASP A 98 -2.141 -13.664 9.993 1.00 0.00 C ATOM 961 C ASP A 98 -2.183 -12.311 10.698 1.00 0.00 C ATOM 962 O ASP A 98 -1.557 -11.349 10.253 1.00 0.00 O ATOM 963 CB ASP A 98 -0.939 -14.472 10.483 1.00 0.00 C ATOM 964 CG ASP A 98 -0.772 -15.777 9.729 1.00 0.00 C ATOM 965 OD1 ASP A 98 -0.448 -15.728 8.525 1.00 0.00 O ATOM 966 OD2 ASP A 98 -0.967 -16.847 10.344 1.00 0.00 O ATOM 0 H ASP A 98 -1.227 -13.049 8.209 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.055 -14.207 10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.034 -13.874 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.055 -14.682 11.546 1.00 0.00 H new ATOM 971 N ASP A 99 -2.924 -12.246 11.798 1.00 0.00 N ATOM 972 CA ASP A 99 -3.047 -11.012 12.565 1.00 0.00 C ATOM 973 C ASP A 99 -1.687 -10.344 12.742 1.00 0.00 C ATOM 974 O ASP A 99 -1.568 -9.122 12.650 1.00 0.00 O ATOM 975 CB ASP A 99 -3.672 -11.296 13.932 1.00 0.00 C ATOM 976 CG ASP A 99 -2.750 -12.091 14.836 1.00 0.00 C ATOM 977 OD1 ASP A 99 -2.136 -13.064 14.349 1.00 0.00 O ATOM 978 OD2 ASP A 99 -2.642 -11.740 16.029 1.00 0.00 O ATOM 0 H ASP A 99 -3.449 -13.033 12.179 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.696 -10.333 12.012 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.925 -10.353 14.416 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.604 -11.845 13.795 1.00 0.00 H new ATOM 983 N ASP A 100 -0.665 -11.154 12.998 1.00 0.00 N ATOM 984 CA ASP A 100 0.687 -10.641 13.189 1.00 0.00 C ATOM 985 C ASP A 100 1.254 -10.104 11.878 1.00 0.00 C ATOM 986 O ASP A 100 1.890 -9.050 11.852 1.00 0.00 O ATOM 987 CB ASP A 100 1.597 -11.739 13.741 1.00 0.00 C ATOM 988 CG ASP A 100 1.223 -12.146 15.153 1.00 0.00 C ATOM 989 OD1 ASP A 100 0.562 -11.344 15.846 1.00 0.00 O ATOM 990 OD2 ASP A 100 1.590 -13.266 15.564 1.00 0.00 O ATOM 0 H ASP A 100 -0.747 -12.168 13.078 1.00 0.00 H new ATOM 0 HA ASP A 100 0.642 -9.822 13.907 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.546 -12.611 13.089 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.630 -11.391 13.728 1.00 0.00 H new ATOM 995 N CYS A 101 1.020 -10.836 10.795 1.00 0.00 N ATOM 996 CA CYS A 101 1.509 -10.434 9.481 1.00 0.00 C ATOM 997 C CYS A 101 0.453 -9.630 8.730 1.00 0.00 C ATOM 998 O CYS A 101 -0.617 -10.144 8.404 1.00 0.00 O ATOM 999 CB CYS A 101 1.908 -11.664 8.664 1.00 0.00 C ATOM 1000 SG CYS A 101 3.562 -12.292 9.034 1.00 0.00 S ATOM 0 H CYS A 101 0.495 -11.711 10.801 1.00 0.00 H new ATOM 0 HA CYS A 101 2.386 -9.802 9.625 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.182 -12.457 8.843 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.854 -11.416 7.604 1.00 0.00 H new ATOM 0 HG CYS A 101 3.806 -13.333 8.295 1.00 0.00 H new ATOM 1006 N ARG A 102 0.761 -8.366 8.459 1.00 0.00 N ATOM 1007 CA ARG A 102 -0.163 -7.490 7.748 1.00 0.00 C ATOM 1008 C ARG A 102 0.578 -6.632 6.727 1.00 0.00 C ATOM 1009 O ARG A 102 1.349 -5.744 7.090 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.911 -6.594 8.737 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.944 -7.335 9.570 1.00 0.00 C ATOM 1012 CD ARG A 102 -3.105 -6.430 9.952 1.00 0.00 C ATOM 1013 NE ARG A 102 -2.800 -5.616 11.126 1.00 0.00 N ATOM 1014 CZ ARG A 102 -3.728 -5.069 11.902 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -5.014 -5.248 11.631 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -3.372 -4.341 12.953 1.00 0.00 N ATOM 0 H ARG A 102 1.643 -7.926 8.721 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.882 -8.114 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.190 -6.122 9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.407 -5.794 8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.318 -8.192 9.010 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.473 -7.725 10.472 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.349 -5.779 9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.988 -7.037 10.151 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.820 -5.459 11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.292 -5.807 10.825 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.725 -4.827 12.229 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.384 -4.201 13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.086 -3.921 13.548 1.00 0.00 H new ATOM 1030 N TYR A 103 0.339 -6.904 5.449 1.00 0.00 N ATOM 1031 CA TYR A 103 0.985 -6.159 4.375 1.00 0.00 C ATOM 1032 C TYR A 103 0.045 -5.102 3.803 1.00 0.00 C ATOM 1033 O TYR A 103 -1.160 -5.127 4.051 1.00 0.00 O ATOM 1034 CB TYR A 103 1.436 -7.111 3.266 1.00 0.00 C ATOM 1035 CG TYR A 103 0.291 -7.755 2.518 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.540 -7.002 1.698 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.041 -9.117 2.631 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.588 -7.587 1.013 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -1.004 -9.711 1.949 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.816 -8.941 1.142 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.858 -9.528 0.461 1.00 0.00 O ATOM 0 H TYR A 103 -0.297 -7.635 5.131 1.00 0.00 H new ATOM 0 HA TYR A 103 1.858 -5.656 4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.058 -6.563 2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.060 -7.892 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.364 -5.942 1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.674 -9.722 3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.225 -6.987 0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.184 -10.771 2.047 1.00 0.00 H new ATOM 0 HH TYR A 103 -3.042 -9.020 -0.356 1.00 0.00 H new ATOM 1051 N VAL A 104 0.607 -4.174 3.035 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.179 -3.108 2.425 1.00 0.00 C ATOM 1053 C VAL A 104 -0.185 -3.230 0.905 1.00 0.00 C ATOM 1054 O VAL A 104 0.852 -3.472 0.288 1.00 0.00 O ATOM 1055 CB VAL A 104 0.360 -1.719 2.815 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.876 -1.683 2.702 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.274 -0.640 1.950 1.00 0.00 C ATOM 0 H VAL A 104 1.604 -4.139 2.820 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.197 -3.213 2.799 1.00 0.00 H new ATOM 0 HB VAL A 104 0.093 -1.523 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.238 -0.694 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.308 -2.429 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.170 -1.900 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.118 0.335 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.040 -0.829 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.355 -0.652 2.088 1.00 0.00 H new ATOM 1067 N MET A 105 -1.360 -3.061 0.308 1.00 0.00 N ATOM 1068 CA MET A 105 -1.500 -3.150 -1.141 1.00 0.00 C ATOM 1069 C MET A 105 -2.106 -1.871 -1.709 1.00 0.00 C ATOM 1070 O MET A 105 -2.706 -1.081 -0.979 1.00 0.00 O ATOM 1071 CB MET A 105 -2.370 -4.351 -1.517 1.00 0.00 C ATOM 1072 CG MET A 105 -1.578 -5.631 -1.735 1.00 0.00 C ATOM 1073 SD MET A 105 -2.623 -7.022 -2.209 1.00 0.00 S ATOM 1074 CE MET A 105 -2.832 -6.707 -3.959 1.00 0.00 C ATOM 0 H MET A 105 -2.228 -2.862 0.805 1.00 0.00 H new ATOM 0 HA MET A 105 -0.506 -3.281 -1.570 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.105 -4.518 -0.729 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.924 -4.117 -2.426 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.830 -5.463 -2.510 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.040 -5.881 -0.821 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.739 -7.199 -4.311 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.912 -5.633 -4.128 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.972 -7.097 -4.504 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.946 -1.674 -3.013 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.478 -0.490 -3.677 1.00 0.00 C ATOM 1086 C ILE A 106 -3.027 -0.835 -5.057 1.00 0.00 C ATOM 1087 O ILE A 106 -2.491 -1.698 -5.753 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.405 0.604 -3.823 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.242 0.098 -4.678 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.909 1.046 -2.454 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.568 1.207 -5.314 1.00 0.00 C ATOM 0 H ILE A 106 -1.453 -2.318 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.286 -0.113 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.851 1.464 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.416 -0.512 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.633 -0.551 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.151 1.820 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.743 1.442 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.477 0.193 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.375 0.775 -5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.076 1.803 -5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.989 1.843 -4.535 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.099 -0.154 -5.449 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.721 -0.387 -6.747 1.00 0.00 C ATOM 1105 C PHE A 107 -4.951 0.929 -7.484 1.00 0.00 C ATOM 1106 O PHE A 107 -4.865 2.007 -6.895 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.049 -1.127 -6.574 1.00 0.00 C ATOM 1108 CG PHE A 107 -5.898 -2.501 -5.986 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.427 -2.667 -4.693 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.226 -3.625 -6.725 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.287 -3.930 -4.150 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.088 -4.891 -6.187 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.619 -5.043 -4.897 1.00 0.00 C ATOM 0 H PHE A 107 -4.555 0.564 -4.886 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.045 -1.002 -7.341 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.704 -0.536 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.540 -1.208 -7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.167 -1.800 -4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.594 -3.511 -7.734 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.918 -4.047 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.347 -5.760 -6.774 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.512 -6.031 -4.473 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.243 0.833 -8.776 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.487 2.014 -9.596 1.00 0.00 C ATOM 1125 C LYS A 108 -6.949 2.440 -9.516 1.00 0.00 C ATOM 1126 O LYS A 108 -7.776 1.750 -8.919 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.104 1.738 -11.052 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.659 2.075 -11.375 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.401 2.045 -12.872 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.182 2.875 -13.245 1.00 0.00 C ATOM 1131 NZ LYS A 108 -1.860 2.768 -14.695 1.00 0.00 N ATOM 0 H LYS A 108 -5.317 -0.051 -9.279 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.869 2.826 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.281 0.685 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.758 2.315 -11.706 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.419 3.063 -10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.999 1.365 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.254 1.015 -13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.276 2.424 -13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.362 3.919 -12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.325 2.546 -12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.842 2.593 -14.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.397 1.981 -15.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.117 3.655 -15.174 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.263 3.580 -10.122 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.626 4.097 -10.122 1.00 0.00 C ATOM 1147 C LYS A 109 -9.564 3.160 -10.877 1.00 0.00 C ATOM 1148 O LYS A 109 -10.601 2.753 -10.355 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.665 5.491 -10.753 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.026 6.159 -10.668 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.236 7.144 -11.806 1.00 0.00 C ATOM 1152 CE LYS A 109 -9.551 8.473 -11.526 1.00 0.00 C ATOM 1153 NZ LYS A 109 -10.114 9.573 -12.357 1.00 0.00 N ATOM 0 H LYS A 109 -6.591 4.164 -10.620 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.962 4.163 -9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.927 6.124 -10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.372 5.415 -11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.807 5.399 -10.694 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.118 6.679 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.846 6.721 -12.732 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.303 7.308 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.660 8.723 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.483 8.380 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.621 10.462 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.987 9.347 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.128 9.680 -12.151 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.190 2.821 -12.107 1.00 0.00 N ATOM 1168 CA GLU A 110 -9.998 1.931 -12.933 1.00 0.00 C ATOM 1169 C GLU A 110 -9.859 0.484 -12.470 1.00 0.00 C ATOM 1170 O GLU A 110 -10.826 -0.277 -12.474 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.589 2.050 -14.402 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.391 1.155 -15.332 1.00 0.00 C ATOM 1173 CD GLU A 110 -10.449 1.690 -16.750 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -11.139 2.706 -16.973 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -9.804 1.091 -17.635 1.00 0.00 O ATOM 0 H GLU A 110 -8.333 3.149 -12.553 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.041 2.229 -12.829 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.705 3.086 -14.720 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.531 1.804 -14.497 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.949 0.158 -15.341 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.405 1.051 -14.945 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.647 0.110 -12.072 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.379 -1.246 -11.608 1.00 0.00 C ATOM 1184 C PHE A 111 -8.595 -1.358 -10.101 1.00 0.00 C ATOM 1185 O PHE A 111 -8.119 -2.296 -9.463 1.00 0.00 O ATOM 1186 CB PHE A 111 -6.947 -1.655 -11.961 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.623 -1.503 -13.419 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -6.957 -2.498 -14.324 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.984 -0.366 -13.886 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.659 -2.361 -15.667 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.684 -0.223 -15.228 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.023 -1.222 -16.119 1.00 0.00 C ATOM 0 H PHE A 111 -7.835 0.727 -12.062 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.076 -1.919 -12.108 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.251 -1.052 -11.378 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.792 -2.694 -11.669 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.456 -3.391 -13.976 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.717 0.418 -13.193 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.923 -3.144 -16.362 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.185 0.668 -15.579 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.791 -1.112 -17.168 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.315 -0.392 -9.540 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.596 -0.382 -8.109 1.00 0.00 C ATOM 1204 C ALA A 112 -10.580 -1.485 -7.735 1.00 0.00 C ATOM 1205 O ALA A 112 -11.494 -1.817 -8.490 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.136 0.976 -7.687 1.00 0.00 C ATOM 0 H ALA A 112 -9.714 0.393 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.662 -0.570 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.341 0.969 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.398 1.746 -7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.056 1.187 -8.232 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.391 -2.068 -6.542 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.253 -3.143 -6.041 1.00 0.00 C ATOM 1214 C PRO A 113 -12.651 -2.648 -5.687 1.00 0.00 C ATOM 1215 O PRO A 113 -12.862 -1.454 -5.474 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.523 -3.626 -4.785 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.721 -2.453 -4.338 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.322 -1.723 -5.590 1.00 0.00 C ATOM 0 HA PRO A 113 -11.408 -3.922 -6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.227 -3.941 -4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.885 -4.482 -5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.305 -1.809 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.843 -2.772 -3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.262 -0.647 -5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.345 -2.046 -5.949 1.00 0.00 H new ATOM 1226 N SER A 114 -13.604 -3.573 -5.627 1.00 0.00 N ATOM 1227 CA SER A 114 -14.983 -3.230 -5.302 1.00 0.00 C ATOM 1228 C SER A 114 -15.258 -3.433 -3.815 1.00 0.00 C ATOM 1229 O SER A 114 -14.491 -4.095 -3.116 1.00 0.00 O ATOM 1230 CB SER A 114 -15.951 -4.076 -6.132 1.00 0.00 C ATOM 1231 OG SER A 114 -16.212 -3.469 -7.386 1.00 0.00 O ATOM 0 H SER A 114 -13.446 -4.566 -5.799 1.00 0.00 H new ATOM 0 HA SER A 114 -15.135 -2.177 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.530 -5.070 -6.286 1.00 0.00 H new ATOM 0 HB3 SER A 114 -16.885 -4.206 -5.586 1.00 0.00 H new ATOM 0 HG SER A 114 -16.832 -4.030 -7.898 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.358 -2.860 -3.340 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.737 -2.979 -1.936 1.00 0.00 C ATOM 1239 C ASP A 115 -16.831 -4.444 -1.521 1.00 0.00 C ATOM 1240 O ASP A 115 -16.034 -4.922 -0.715 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.072 -2.278 -1.685 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.189 -1.744 -0.271 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.906 -2.506 0.677 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -18.564 -0.563 -0.113 1.00 0.00 O ATOM 0 H ASP A 115 -17.003 -2.309 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 115 -15.965 -2.499 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.186 -1.456 -2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.887 -2.976 -1.875 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.811 -5.149 -2.077 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.009 -6.559 -1.762 1.00 0.00 C ATOM 1251 C GLU A 116 -16.717 -7.347 -1.955 1.00 0.00 C ATOM 1252 O GLU A 116 -16.343 -8.162 -1.112 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.116 -7.149 -2.639 1.00 0.00 C ATOM 1254 CG GLU A 116 -19.457 -8.591 -2.300 1.00 0.00 C ATOM 1255 CD GLU A 116 -19.737 -8.792 -0.823 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.212 -7.838 -0.173 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -19.481 -9.905 -0.318 1.00 0.00 O ATOM 0 H GLU A 116 -18.479 -4.768 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.305 -6.633 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -20.013 -6.539 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.809 -7.093 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.329 -8.900 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -18.631 -9.236 -2.601 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.040 -7.098 -3.072 1.00 0.00 N ATOM 1265 CA GLU A 117 -14.791 -7.785 -3.377 1.00 0.00 C ATOM 1266 C GLU A 117 -13.745 -7.516 -2.299 1.00 0.00 C ATOM 1267 O GLU A 117 -12.989 -8.410 -1.915 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.259 -7.342 -4.741 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.225 -7.601 -5.885 1.00 0.00 C ATOM 1270 CD GLU A 117 -14.580 -7.423 -7.246 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -13.797 -8.307 -7.651 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -14.858 -6.400 -7.905 1.00 0.00 O ATOM 0 H GLU A 117 -16.336 -6.426 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 117 -14.993 -8.856 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.030 -6.277 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.323 -7.862 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.616 -8.615 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.075 -6.924 -5.798 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.707 -6.280 -1.815 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.754 -5.891 -0.781 1.00 0.00 C ATOM 1281 C LEU A 118 -12.933 -6.742 0.472 1.00 0.00 C ATOM 1282 O LEU A 118 -11.965 -7.268 1.020 1.00 0.00 O ATOM 1283 CB LEU A 118 -12.923 -4.411 -0.435 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.268 -3.418 -1.396 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.884 -2.036 -1.238 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.765 -3.364 -1.166 1.00 0.00 C ATOM 0 H LEU A 118 -14.325 -5.529 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.748 -6.054 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -13.989 -4.189 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.516 -4.243 0.562 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.447 -3.758 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.405 -1.343 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.951 -2.086 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.738 -1.687 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.316 -2.652 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.565 -3.049 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.336 -4.352 -1.332 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.177 -6.874 0.918 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.484 -7.664 2.105 1.00 0.00 C ATOM 1300 C ASP A 119 -14.010 -9.104 1.937 1.00 0.00 C ATOM 1301 O ASP A 119 -13.380 -9.668 2.832 1.00 0.00 O ATOM 1302 CB ASP A 119 -15.988 -7.639 2.386 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.336 -8.248 3.730 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -15.498 -8.169 4.652 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.447 -8.804 3.859 1.00 0.00 O ATOM 0 H ASP A 119 -14.989 -6.444 0.476 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.957 -7.223 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.344 -6.609 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.511 -8.181 1.598 1.00 0.00 H new ATOM 1310 N SER A 120 -14.317 -9.692 0.786 1.00 0.00 N ATOM 1311 CA SER A 120 -13.926 -11.068 0.502 1.00 0.00 C ATOM 1312 C SER A 120 -12.410 -11.188 0.381 1.00 0.00 C ATOM 1313 O SER A 120 -11.812 -12.154 0.856 1.00 0.00 O ATOM 1314 CB SER A 120 -14.592 -11.555 -0.786 1.00 0.00 C ATOM 1315 OG SER A 120 -13.954 -11.010 -1.928 1.00 0.00 O ATOM 0 H SER A 120 -14.835 -9.237 0.034 1.00 0.00 H new ATOM 0 HA SER A 120 -14.257 -11.692 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.554 -12.643 -0.829 1.00 0.00 H new ATOM 0 HB3 SER A 120 -15.645 -11.272 -0.784 1.00 0.00 H new ATOM 0 HG SER A 120 -13.754 -10.064 -1.770 1.00 0.00 H new ATOM 1321 N TYR A 121 -11.794 -10.200 -0.259 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.348 -10.195 -0.446 1.00 0.00 C ATOM 1323 C TYR A 121 -9.626 -10.388 0.884 1.00 0.00 C ATOM 1324 O TYR A 121 -8.732 -11.226 1.001 1.00 0.00 O ATOM 1325 CB TYR A 121 -9.902 -8.884 -1.096 1.00 0.00 C ATOM 1326 CG TYR A 121 -9.987 -8.897 -2.606 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.287 -9.837 -3.352 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -10.766 -7.969 -3.285 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.361 -9.852 -4.732 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -10.847 -7.977 -4.664 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.143 -8.921 -5.383 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.220 -8.932 -6.757 1.00 0.00 O ATOM 0 H TYR A 121 -12.274 -9.392 -0.657 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.089 -11.025 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.518 -8.070 -0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -8.874 -8.673 -0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.675 -10.568 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.318 -7.228 -2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -8.810 -10.589 -5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.458 -7.249 -5.176 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.813 -8.212 -7.057 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.022 -9.606 1.883 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.413 -9.690 3.205 1.00 0.00 C ATOM 1344 C ARG A 122 -9.690 -11.046 3.847 1.00 0.00 C ATOM 1345 O ARG A 122 -8.779 -11.706 4.346 1.00 0.00 O ATOM 1346 CB ARG A 122 -9.940 -8.571 4.105 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.281 -7.225 3.853 1.00 0.00 C ATOM 1348 CD ARG A 122 -9.947 -6.118 4.655 1.00 0.00 C ATOM 1349 NE ARG A 122 -9.651 -6.222 6.081 1.00 0.00 N ATOM 1350 CZ ARG A 122 -10.418 -5.698 7.031 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -11.522 -5.039 6.708 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -10.082 -5.835 8.307 1.00 0.00 N ATOM 0 H ARG A 122 -10.761 -8.908 1.802 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.335 -9.576 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.015 -8.473 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -9.786 -8.852 5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.225 -7.281 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.332 -6.987 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -9.611 -5.149 4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.026 -6.160 4.505 1.00 0.00 H new ATOM 0 HE ARG A 122 -8.809 -6.724 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.785 -4.933 5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -12.109 -4.638 7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.234 -6.343 8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -10.671 -5.432 9.036 1.00 0.00 H new