USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= -0.929! C(o=-2.8!,f=-8.2!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -1.84! USER MOD Set 2.1: A 16 SER OG : rot 180:sc= -0.0251 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.349 K(o=-0.37,f=-7.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= 0.735 (180deg=-0.188) USER MOD Single : A 19 TYR OH : rot 39:sc= 0.00279 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.36) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -5.45! C(o=-5.4!,f=-2.6!) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.837 (180deg=-2!) USER MOD Single : A 41 SER OG : rot -122:sc= 1.02 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.02 X(o=-1,f=-0.53) USER MOD Single : A 51 ASN : amide:sc= -5.33! C(o=-5.3!,f=-4.2!) USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= -0.173 (180deg=-0.691) USER MOD Single : A 61 SER OG : rot -5:sc= 0.904 USER MOD Single : A 67 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=-0.82) USER MOD Single : A 73 MET CE :methyl 176:sc= -3.1 (180deg=-3.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0313 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.894 -5.059 -9.146 1.00 0.00 N ATOM 60 CA GLY A 7 -6.871 -4.381 -8.370 1.00 0.00 C ATOM 61 C GLY A 7 -6.469 -3.051 -8.976 1.00 0.00 C ATOM 62 O GLY A 7 -6.038 -2.991 -10.128 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.236 -4.219 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.993 -5.022 -8.294 1.00 0.00 H new ATOM 66 N ARG A 8 -6.613 -1.981 -8.201 1.00 0.00 N ATOM 67 CA ARG A 8 -6.264 -0.646 -8.669 1.00 0.00 C ATOM 68 C ARG A 8 -4.799 -0.334 -8.382 1.00 0.00 C ATOM 69 O ARG A 8 -4.199 -0.905 -7.471 1.00 0.00 O ATOM 70 CB ARG A 8 -7.160 0.401 -8.004 1.00 0.00 C ATOM 71 CG ARG A 8 -7.061 0.413 -6.488 1.00 0.00 C ATOM 72 CD ARG A 8 -8.147 1.275 -5.865 1.00 0.00 C ATOM 73 NE ARG A 8 -8.535 0.795 -4.541 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.694 1.090 -3.963 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.574 1.859 -4.589 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.975 0.615 -2.756 1.00 0.00 N ATOM 0 H ARG A 8 -6.969 -2.013 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.419 -0.615 -9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.896 1.388 -8.385 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.195 0.216 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.142 -0.606 -6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.082 0.787 -6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.794 2.303 -5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.020 1.285 -6.517 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.880 0.201 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.362 2.226 -5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.463 2.084 -4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.301 0.023 -2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.865 0.842 -2.313 1.00 0.00 H new ATOM 90 N VAL A 9 -4.228 0.576 -9.165 1.00 0.00 N ATOM 91 CA VAL A 9 -2.833 0.965 -8.994 1.00 0.00 C ATOM 92 C VAL A 9 -2.720 2.310 -8.285 1.00 0.00 C ATOM 93 O VAL A 9 -3.319 3.299 -8.708 1.00 0.00 O ATOM 94 CB VAL A 9 -2.104 1.048 -10.348 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.659 1.480 -10.151 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.176 -0.287 -11.074 1.00 0.00 C ATOM 0 H VAL A 9 -4.710 1.058 -9.924 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.362 0.195 -8.383 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.601 1.798 -10.964 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.160 1.533 -11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.634 2.461 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.146 0.756 -9.517 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.656 -0.210 -12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.705 -1.058 -10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.219 -0.550 -11.249 1.00 0.00 H new ATOM 106 N VAL A 10 -1.948 2.340 -7.204 1.00 0.00 N ATOM 107 CA VAL A 10 -1.754 3.564 -6.436 1.00 0.00 C ATOM 108 C VAL A 10 -0.309 4.042 -6.518 1.00 0.00 C ATOM 109 O VAL A 10 0.608 3.247 -6.724 1.00 0.00 O ATOM 110 CB VAL A 10 -2.134 3.365 -4.957 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.166 4.700 -4.229 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.474 2.654 -4.842 1.00 0.00 C ATOM 0 H VAL A 10 -1.446 1.530 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.408 4.318 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.375 2.740 -4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.436 4.539 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.182 5.167 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.902 5.353 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.727 2.522 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.246 3.251 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.411 1.679 -5.325 1.00 0.00 H new ATOM 122 N VAL A 11 -0.112 5.346 -6.355 1.00 0.00 N ATOM 123 CA VAL A 11 1.222 5.931 -6.410 1.00 0.00 C ATOM 124 C VAL A 11 1.375 7.047 -5.383 1.00 0.00 C ATOM 125 O VAL A 11 0.551 7.959 -5.315 1.00 0.00 O ATOM 126 CB VAL A 11 1.534 6.491 -7.810 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.916 7.124 -7.837 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.420 5.395 -8.859 1.00 0.00 C ATOM 0 H VAL A 11 -0.860 6.018 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 11 1.927 5.131 -6.182 1.00 0.00 H new ATOM 0 HB VAL A 11 0.803 7.264 -8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.118 7.514 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.957 7.938 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.665 6.374 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.644 5.808 -9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.128 4.598 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.407 4.993 -8.856 1.00 0.00 H new ATOM 138 N ILE A 12 2.436 6.969 -4.585 1.00 0.00 N ATOM 139 CA ILE A 12 2.697 7.974 -3.563 1.00 0.00 C ATOM 140 C ILE A 12 4.163 8.395 -3.568 1.00 0.00 C ATOM 141 O ILE A 12 5.045 7.610 -3.918 1.00 0.00 O ATOM 142 CB ILE A 12 2.329 7.458 -2.159 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.975 6.746 -2.193 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.305 8.607 -1.162 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.814 5.702 -1.111 1.00 0.00 C ATOM 0 H ILE A 12 3.128 6.220 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 12 2.072 8.835 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 12 3.087 6.742 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.182 7.487 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.847 6.272 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.043 8.227 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.289 9.074 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.565 9.344 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.169 5.238 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.585 4.940 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.909 6.174 -0.133 1.00 0.00 H new ATOM 157 N LYS A 13 4.417 9.639 -3.177 1.00 0.00 N ATOM 158 CA LYS A 13 5.776 10.166 -3.133 1.00 0.00 C ATOM 159 C LYS A 13 6.042 10.876 -1.810 1.00 0.00 C ATOM 160 O LYS A 13 5.399 11.876 -1.490 1.00 0.00 O ATOM 161 CB LYS A 13 6.008 11.131 -4.298 1.00 0.00 C ATOM 162 CG LYS A 13 5.182 10.807 -5.531 1.00 0.00 C ATOM 163 CD LYS A 13 5.206 11.948 -6.534 1.00 0.00 C ATOM 164 CE LYS A 13 6.568 12.078 -7.198 1.00 0.00 C ATOM 165 NZ LYS A 13 6.524 12.981 -8.381 1.00 0.00 N ATOM 0 H LYS A 13 3.699 10.302 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 13 6.467 9.328 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.775 12.144 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.065 11.117 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.566 9.901 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.153 10.602 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.444 11.781 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.955 12.882 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.289 12.461 -6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.917 11.093 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.471 13.043 -8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.855 12.603 -9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.215 13.928 -8.083 1.00 0.00 H new ATOM 179 N LYS A 14 6.994 10.354 -1.044 1.00 0.00 N ATOM 180 CA LYS A 14 7.348 10.939 0.243 1.00 0.00 C ATOM 181 C LYS A 14 7.374 12.462 0.160 1.00 0.00 C ATOM 182 O LYS A 14 7.860 13.032 -0.816 1.00 0.00 O ATOM 183 CB LYS A 14 8.711 10.420 0.705 1.00 0.00 C ATOM 184 CG LYS A 14 8.865 10.377 2.216 1.00 0.00 C ATOM 185 CD LYS A 14 10.179 9.730 2.624 1.00 0.00 C ATOM 186 CE LYS A 14 10.078 8.212 2.616 1.00 0.00 C ATOM 187 NZ LYS A 14 9.463 7.691 3.868 1.00 0.00 N ATOM 0 H LYS A 14 7.535 9.526 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 14 6.589 10.645 0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.864 9.418 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.493 11.054 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.817 11.390 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.034 9.822 2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.969 10.047 1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.461 10.072 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.485 7.892 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.072 7.782 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.128 7.045 4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.243 8.485 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.588 7.179 3.638 1.00 0.00 H new ATOM 201 N GLY A 15 6.848 13.116 1.192 1.00 0.00 N ATOM 202 CA GLY A 15 6.823 14.567 1.216 1.00 0.00 C ATOM 203 C GLY A 15 7.675 15.143 2.329 1.00 0.00 C ATOM 204 O GLY A 15 8.859 15.417 2.136 1.00 0.00 O ATOM 0 H GLY A 15 6.439 12.667 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.175 14.949 0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.795 14.908 1.336 1.00 0.00 H new ATOM 208 N SER A 16 7.070 15.330 3.498 1.00 0.00 N ATOM 209 CA SER A 16 7.780 15.884 4.646 1.00 0.00 C ATOM 210 C SER A 16 7.927 14.840 5.748 1.00 0.00 C ATOM 211 O SER A 16 9.038 14.445 6.100 1.00 0.00 O ATOM 212 CB SER A 16 7.043 17.111 5.185 1.00 0.00 C ATOM 213 OG SER A 16 5.687 16.809 5.465 1.00 0.00 O ATOM 0 H SER A 16 6.091 15.106 3.675 1.00 0.00 H new ATOM 0 HA SER A 16 8.775 16.183 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.535 17.465 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.096 17.920 4.456 1.00 0.00 H new ATOM 0 HG SER A 16 5.238 17.609 5.810 1.00 0.00 H new ATOM 219 N ASN A 17 6.797 14.398 6.291 1.00 0.00 N ATOM 220 CA ASN A 17 6.799 13.400 7.354 1.00 0.00 C ATOM 221 C ASN A 17 7.027 12.002 6.788 1.00 0.00 C ATOM 222 O ASN A 17 7.894 11.265 7.257 1.00 0.00 O ATOM 223 CB ASN A 17 5.477 13.442 8.123 1.00 0.00 C ATOM 224 CG ASN A 17 4.282 13.152 7.235 1.00 0.00 C ATOM 225 OD1 ASN A 17 4.191 13.654 6.115 1.00 0.00 O ATOM 226 ND2 ASN A 17 3.359 12.338 7.733 1.00 0.00 N ATOM 0 H ASN A 17 5.869 14.715 6.012 1.00 0.00 H new ATOM 0 HA ASN A 17 7.616 13.634 8.036 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.508 12.715 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.357 14.424 8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.533 12.106 7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.476 11.945 8.667 1.00 0.00 H new ATOM 233 N GLY A 18 6.243 11.643 5.776 1.00 0.00 N ATOM 234 CA GLY A 18 6.375 10.335 5.162 1.00 0.00 C ATOM 235 C GLY A 18 5.412 10.136 4.009 1.00 0.00 C ATOM 236 O GLY A 18 5.337 10.967 3.103 1.00 0.00 O ATOM 0 H GLY A 18 5.518 12.235 5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.397 10.206 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.201 9.565 5.914 1.00 0.00 H new ATOM 240 N TYR A 19 4.675 9.031 4.039 1.00 0.00 N ATOM 241 CA TYR A 19 3.715 8.724 2.986 1.00 0.00 C ATOM 242 C TYR A 19 2.295 9.067 3.426 1.00 0.00 C ATOM 243 O TYR A 19 1.621 9.887 2.804 1.00 0.00 O ATOM 244 CB TYR A 19 3.799 7.244 2.607 1.00 0.00 C ATOM 245 CG TYR A 19 5.096 6.866 1.928 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.231 6.949 0.547 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.188 6.428 2.667 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.414 6.604 -0.077 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.376 6.083 2.051 1.00 0.00 C ATOM 250 CZ TYR A 19 7.483 6.172 0.679 1.00 0.00 C ATOM 251 OH TYR A 19 8.664 5.828 0.061 1.00 0.00 O ATOM 0 H TYR A 19 4.724 8.333 4.781 1.00 0.00 H new ATOM 0 HA TYR A 19 3.963 9.331 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.680 6.640 3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.968 6.999 1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.397 7.289 -0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.107 6.356 3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.501 6.672 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.216 5.746 2.641 1.00 0.00 H new ATOM 0 HH TYR A 19 8.844 6.453 -0.672 1.00 0.00 H new ATOM 261 N GLY A 20 1.846 8.432 4.505 1.00 0.00 N ATOM 262 CA GLY A 20 0.510 8.683 5.011 1.00 0.00 C ATOM 263 C GLY A 20 -0.343 7.430 5.044 1.00 0.00 C ATOM 264 O GLY A 20 -1.561 7.495 4.878 1.00 0.00 O ATOM 0 H GLY A 20 2.384 7.748 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.578 9.099 6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.024 9.433 4.388 1.00 0.00 H new ATOM 268 N PHE A 21 0.299 6.286 5.256 1.00 0.00 N ATOM 269 CA PHE A 21 -0.409 5.011 5.307 1.00 0.00 C ATOM 270 C PHE A 21 0.385 3.981 6.105 1.00 0.00 C ATOM 271 O PHE A 21 1.606 3.888 5.978 1.00 0.00 O ATOM 272 CB PHE A 21 -0.666 4.490 3.892 1.00 0.00 C ATOM 273 CG PHE A 21 0.559 3.932 3.227 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.484 4.773 2.631 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.785 2.565 3.197 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.613 4.263 2.018 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.913 2.049 2.586 1.00 0.00 C ATOM 278 CZ PHE A 21 2.827 2.899 1.995 1.00 0.00 C ATOM 0 H PHE A 21 1.307 6.215 5.395 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.365 5.173 5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.432 3.716 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.064 5.301 3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.321 5.841 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.072 1.896 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.327 4.930 1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.079 0.982 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.708 2.498 1.516 1.00 0.00 H new ATOM 288 N TYR A 22 -0.317 3.208 6.926 1.00 0.00 N ATOM 289 CA TYR A 22 0.321 2.186 7.747 1.00 0.00 C ATOM 290 C TYR A 22 0.060 0.793 7.182 1.00 0.00 C ATOM 291 O TYR A 22 -0.806 0.609 6.326 1.00 0.00 O ATOM 292 CB TYR A 22 -0.188 2.268 9.187 1.00 0.00 C ATOM 293 CG TYR A 22 0.153 3.570 9.876 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.470 4.757 9.510 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.099 3.614 10.893 1.00 0.00 C ATOM 296 CE1 TYR A 22 -0.161 5.949 10.136 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.413 4.801 11.526 1.00 0.00 C ATOM 298 CZ TYR A 22 0.780 5.966 11.144 1.00 0.00 C ATOM 299 OH TYR A 22 1.091 7.150 11.771 1.00 0.00 O ATOM 0 H TYR A 22 -1.329 3.270 7.041 1.00 0.00 H new ATOM 0 HA TYR A 22 1.396 2.367 7.738 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.270 2.138 9.189 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.233 1.442 9.760 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.209 4.747 8.722 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.597 2.704 11.194 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.654 6.863 9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.150 4.817 12.315 1.00 0.00 H new ATOM 0 HH TYR A 22 1.771 6.988 12.458 1.00 0.00 H new ATOM 309 N LEU A 23 0.816 -0.186 7.668 1.00 0.00 N ATOM 310 CA LEU A 23 0.667 -1.564 7.213 1.00 0.00 C ATOM 311 C LEU A 23 0.710 -2.533 8.391 1.00 0.00 C ATOM 312 O LEU A 23 1.548 -2.405 9.283 1.00 0.00 O ATOM 313 CB LEU A 23 1.770 -1.913 6.212 1.00 0.00 C ATOM 314 CG LEU A 23 1.791 -1.089 4.923 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.063 -1.362 4.136 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.562 -1.390 4.077 1.00 0.00 C ATOM 0 H LEU A 23 1.537 -0.051 8.376 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.303 -1.657 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.733 -1.799 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.672 -2.965 5.946 1.00 0.00 H new ATOM 0 HG LEU A 23 1.773 -0.032 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.060 -0.767 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.929 -1.094 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.112 -2.420 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.594 -0.795 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.548 -2.449 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.337 -1.142 4.641 1.00 0.00 H new ATOM 328 N ARG A 24 -0.199 -3.502 8.385 1.00 0.00 N ATOM 329 CA ARG A 24 -0.265 -4.494 9.452 1.00 0.00 C ATOM 330 C ARG A 24 -0.482 -5.893 8.882 1.00 0.00 C ATOM 331 O ARG A 24 -1.021 -6.050 7.787 1.00 0.00 O ATOM 332 CB ARG A 24 -1.391 -4.149 10.428 1.00 0.00 C ATOM 333 CG ARG A 24 -1.503 -5.116 11.596 1.00 0.00 C ATOM 334 CD ARG A 24 -2.618 -4.714 12.548 1.00 0.00 C ATOM 335 NE ARG A 24 -2.583 -5.485 13.788 1.00 0.00 N ATOM 336 CZ ARG A 24 -1.760 -5.219 14.796 1.00 0.00 C ATOM 337 NH1 ARG A 24 -0.908 -4.207 14.712 1.00 0.00 N ATOM 338 NH2 ARG A 24 -1.788 -5.967 15.892 1.00 0.00 N ATOM 0 H ARG A 24 -0.900 -3.622 7.654 1.00 0.00 H new ATOM 0 HA ARG A 24 0.686 -4.482 9.985 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.229 -3.143 10.815 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.337 -4.135 9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.689 -6.122 11.220 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.556 -5.148 12.135 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.532 -3.652 12.779 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.582 -4.857 12.059 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.226 -6.271 13.885 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.883 -3.630 13.871 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.277 -4.005 15.488 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.442 -6.747 15.961 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.156 -5.762 16.666 1.00 0.00 H new ATOM 352 N ALA A 25 -0.058 -6.904 9.632 1.00 0.00 N ATOM 353 CA ALA A 25 -0.207 -8.289 9.202 1.00 0.00 C ATOM 354 C ALA A 25 -1.647 -8.763 9.368 1.00 0.00 C ATOM 355 O ALA A 25 -2.073 -9.112 10.468 1.00 0.00 O ATOM 356 CB ALA A 25 0.740 -9.189 9.982 1.00 0.00 C ATOM 0 H ALA A 25 0.392 -6.790 10.541 1.00 0.00 H new ATOM 0 HA ALA A 25 0.047 -8.344 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.618 -10.220 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.768 -8.872 9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.513 -9.121 11.046 1.00 0.00 H new ATOM 362 N GLY A 26 -2.392 -8.774 8.267 1.00 0.00 N ATOM 363 CA GLY A 26 -3.777 -9.206 8.313 1.00 0.00 C ATOM 364 C GLY A 26 -3.910 -10.707 8.480 1.00 0.00 C ATOM 365 O GLY A 26 -2.928 -11.419 8.690 1.00 0.00 O ATOM 0 H GLY A 26 -2.061 -8.492 7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.284 -8.705 9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.281 -8.899 7.396 1.00 0.00 H new ATOM 369 N PRO A 27 -5.150 -11.209 8.387 1.00 0.00 N ATOM 370 CA PRO A 27 -5.438 -12.639 8.528 1.00 0.00 C ATOM 371 C PRO A 27 -4.915 -13.454 7.350 1.00 0.00 C ATOM 372 O PRO A 27 -4.108 -12.969 6.558 1.00 0.00 O ATOM 373 CB PRO A 27 -6.967 -12.691 8.576 1.00 0.00 C ATOM 374 CG PRO A 27 -7.410 -11.464 7.855 1.00 0.00 C ATOM 375 CD PRO A 27 -6.368 -10.419 8.138 1.00 0.00 C ATOM 0 HA PRO A 27 -4.956 -13.067 9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.348 -13.592 8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.331 -12.700 9.603 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.496 -11.650 6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.391 -11.140 8.202 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.241 -9.740 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.635 -9.809 9.001 1.00 0.00 H new ATOM 383 N GLU A 28 -5.381 -14.695 7.241 1.00 0.00 N ATOM 384 CA GLU A 28 -4.958 -15.576 6.158 1.00 0.00 C ATOM 385 C GLU A 28 -4.948 -14.834 4.825 1.00 0.00 C ATOM 386 O GLU A 28 -4.252 -15.229 3.890 1.00 0.00 O ATOM 387 CB GLU A 28 -5.883 -16.792 6.071 1.00 0.00 C ATOM 388 CG GLU A 28 -5.712 -17.771 7.220 1.00 0.00 C ATOM 389 CD GLU A 28 -6.605 -18.989 7.087 1.00 0.00 C ATOM 390 OE1 GLU A 28 -7.839 -18.836 7.193 1.00 0.00 O ATOM 391 OE2 GLU A 28 -6.068 -20.097 6.874 1.00 0.00 O ATOM 0 H GLU A 28 -6.050 -15.112 7.888 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.944 -15.914 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.918 -16.450 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.698 -17.312 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.671 -18.092 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.932 -17.265 8.160 1.00 0.00 H new ATOM 398 N GLN A 29 -5.724 -13.758 4.747 1.00 0.00 N ATOM 399 CA GLN A 29 -5.805 -12.962 3.528 1.00 0.00 C ATOM 400 C GLN A 29 -4.424 -12.474 3.104 1.00 0.00 C ATOM 401 O GLN A 29 -3.763 -11.735 3.835 1.00 0.00 O ATOM 402 CB GLN A 29 -6.740 -11.769 3.735 1.00 0.00 C ATOM 403 CG GLN A 29 -8.209 -12.152 3.806 1.00 0.00 C ATOM 404 CD GLN A 29 -8.666 -12.940 2.595 1.00 0.00 C ATOM 405 OE1 GLN A 29 -8.750 -14.168 2.634 1.00 0.00 O ATOM 406 NE2 GLN A 29 -8.966 -12.237 1.509 1.00 0.00 N ATOM 0 H GLN A 29 -6.305 -13.417 5.513 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.205 -13.595 2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.462 -11.256 4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.597 -11.060 2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.384 -12.742 4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.812 -11.248 3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.882 -11.221 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.280 -12.714 0.664 1.00 0.00 H new ATOM 415 N LYS A 30 -3.993 -12.891 1.919 1.00 0.00 N ATOM 416 CA LYS A 30 -2.690 -12.496 1.396 1.00 0.00 C ATOM 417 C LYS A 30 -2.629 -10.989 1.169 1.00 0.00 C ATOM 418 O LYS A 30 -3.461 -10.423 0.462 1.00 0.00 O ATOM 419 CB LYS A 30 -2.400 -13.231 0.085 1.00 0.00 C ATOM 420 CG LYS A 30 -2.403 -14.744 0.223 1.00 0.00 C ATOM 421 CD LYS A 30 -1.232 -15.231 1.060 1.00 0.00 C ATOM 422 CE LYS A 30 -1.438 -16.663 1.527 1.00 0.00 C ATOM 423 NZ LYS A 30 -1.197 -17.644 0.432 1.00 0.00 N ATOM 0 H LYS A 30 -4.527 -13.503 1.302 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.934 -12.766 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.144 -12.941 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.430 -12.911 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.338 -15.066 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.359 -15.200 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.314 -15.166 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.106 -14.580 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.765 -16.874 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.455 -16.780 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.348 -18.609 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.856 -17.459 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.219 -17.550 0.091 1.00 0.00 H new ATOM 437 N GLY A 31 -1.635 -10.344 1.774 1.00 0.00 N ATOM 438 CA GLY A 31 -1.483 -8.909 1.624 1.00 0.00 C ATOM 439 C GLY A 31 -1.610 -8.172 2.943 1.00 0.00 C ATOM 440 O GLY A 31 -2.171 -8.698 3.903 1.00 0.00 O ATOM 0 H GLY A 31 -0.933 -10.790 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.510 -8.694 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.236 -8.537 0.930 1.00 0.00 H new ATOM 444 N GLN A 32 -1.086 -6.951 2.990 1.00 0.00 N ATOM 445 CA GLN A 32 -1.142 -6.142 4.202 1.00 0.00 C ATOM 446 C GLN A 32 -2.347 -5.208 4.178 1.00 0.00 C ATOM 447 O GLN A 32 -2.772 -4.755 3.115 1.00 0.00 O ATOM 448 CB GLN A 32 0.145 -5.331 4.358 1.00 0.00 C ATOM 449 CG GLN A 32 1.387 -6.188 4.539 1.00 0.00 C ATOM 450 CD GLN A 32 1.373 -6.969 5.838 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.374 -8.200 5.835 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.361 -6.256 6.958 1.00 0.00 N ATOM 0 H GLN A 32 -0.618 -6.501 2.203 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.245 -6.814 5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.275 -4.699 3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.044 -4.667 5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.470 -6.882 3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.271 -5.550 4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.361 -5.237 6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.352 -6.727 7.863 1.00 0.00 H new ATOM 461 N ILE A 33 -2.892 -4.924 5.356 1.00 0.00 N ATOM 462 CA ILE A 33 -4.048 -4.043 5.469 1.00 0.00 C ATOM 463 C ILE A 33 -3.629 -2.638 5.889 1.00 0.00 C ATOM 464 O ILE A 33 -2.866 -2.465 6.840 1.00 0.00 O ATOM 465 CB ILE A 33 -5.072 -4.586 6.483 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.255 -6.093 6.299 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.402 -3.863 6.331 1.00 0.00 C ATOM 468 CD1 ILE A 33 -5.884 -6.776 7.493 1.00 0.00 C ATOM 0 H ILE A 33 -2.552 -5.291 6.245 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.512 -4.002 4.483 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.695 -4.405 7.490 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.875 -6.271 5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.284 -6.547 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.115 -4.258 7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.259 -2.797 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.786 -4.016 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.983 -7.843 7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.253 -6.629 8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.869 -6.349 7.679 1.00 0.00 H new ATOM 480 N ILE A 34 -4.134 -1.638 5.176 1.00 0.00 N ATOM 481 CA ILE A 34 -3.815 -0.248 5.476 1.00 0.00 C ATOM 482 C ILE A 34 -4.760 0.318 6.531 1.00 0.00 C ATOM 483 O ILE A 34 -5.922 -0.080 6.618 1.00 0.00 O ATOM 484 CB ILE A 34 -3.887 0.632 4.214 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.876 0.150 3.172 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.635 2.090 4.570 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.862 0.987 1.912 1.00 0.00 C ATOM 0 H ILE A 34 -4.766 -1.764 4.386 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.795 -0.235 5.860 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.887 0.550 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.880 0.156 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.102 -0.884 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.689 2.699 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.389 2.427 5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.646 2.190 5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.122 0.588 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.847 0.961 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.606 2.017 2.162 1.00 0.00 H new ATOM 499 N LYS A 35 -4.255 1.250 7.331 1.00 0.00 N ATOM 500 CA LYS A 35 -5.053 1.874 8.380 1.00 0.00 C ATOM 501 C LYS A 35 -4.342 3.097 8.950 1.00 0.00 C ATOM 502 O LYS A 35 -3.156 3.311 8.698 1.00 0.00 O ATOM 503 CB LYS A 35 -5.340 0.870 9.498 1.00 0.00 C ATOM 504 CG LYS A 35 -4.087 0.272 10.114 1.00 0.00 C ATOM 505 CD LYS A 35 -3.660 -0.995 9.393 1.00 0.00 C ATOM 506 CE LYS A 35 -4.426 -2.209 9.898 1.00 0.00 C ATOM 507 NZ LYS A 35 -4.395 -2.305 11.384 1.00 0.00 N ATOM 0 H LYS A 35 -3.295 1.591 7.273 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.997 2.197 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.919 1.364 10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.960 0.065 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.279 1.002 10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.268 0.050 11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.825 -0.879 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.591 -1.153 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.460 -2.153 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.998 -3.114 9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.632 -3.275 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.444 -2.063 11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.088 -1.644 11.789 1.00 0.00 H new ATOM 521 N ASP A 36 -5.072 3.895 9.721 1.00 0.00 N ATOM 522 CA ASP A 36 -4.510 5.095 10.330 1.00 0.00 C ATOM 523 C ASP A 36 -3.986 6.051 9.263 1.00 0.00 C ATOM 524 O ASP A 36 -2.891 6.599 9.391 1.00 0.00 O ATOM 525 CB ASP A 36 -3.384 4.723 11.296 1.00 0.00 C ATOM 526 CG ASP A 36 -3.170 5.774 12.367 1.00 0.00 C ATOM 527 OD1 ASP A 36 -2.531 6.805 12.068 1.00 0.00 O ATOM 528 OD2 ASP A 36 -3.640 5.566 13.505 1.00 0.00 O ATOM 0 H ASP A 36 -6.055 3.733 9.939 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.303 5.597 10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.615 3.768 11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.459 4.586 10.736 1.00 0.00 H new ATOM 533 N ILE A 37 -4.775 6.246 8.212 1.00 0.00 N ATOM 534 CA ILE A 37 -4.390 7.136 7.123 1.00 0.00 C ATOM 535 C ILE A 37 -4.387 8.591 7.578 1.00 0.00 C ATOM 536 O ILE A 37 -5.325 9.049 8.230 1.00 0.00 O ATOM 537 CB ILE A 37 -5.334 6.989 5.916 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.194 5.596 5.297 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.042 8.065 4.881 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.149 5.344 4.152 1.00 0.00 C ATOM 0 H ILE A 37 -5.684 5.800 8.091 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.382 6.850 6.822 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.361 7.112 6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.172 5.466 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.360 4.846 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.718 7.948 4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.188 9.049 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.011 7.971 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.993 4.338 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.175 5.441 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.968 6.071 3.361 1.00 0.00 H new ATOM 552 N GLU A 38 -3.327 9.313 7.228 1.00 0.00 N ATOM 553 CA GLU A 38 -3.203 10.717 7.600 1.00 0.00 C ATOM 554 C GLU A 38 -3.870 11.616 6.562 1.00 0.00 C ATOM 555 O GLU A 38 -3.811 11.365 5.358 1.00 0.00 O ATOM 556 CB GLU A 38 -1.730 11.100 7.751 1.00 0.00 C ATOM 557 CG GLU A 38 -0.985 10.263 8.778 1.00 0.00 C ATOM 558 CD GLU A 38 -1.723 10.169 10.099 1.00 0.00 C ATOM 559 OE1 GLU A 38 -2.583 9.274 10.237 1.00 0.00 O ATOM 560 OE2 GLU A 38 -1.440 10.992 10.995 1.00 0.00 O ATOM 0 H GLU A 38 -2.542 8.949 6.688 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.707 10.859 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.236 10.998 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.664 12.151 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.830 9.260 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.001 10.695 8.947 1.00 0.00 H new ATOM 567 N PRO A 39 -4.521 12.687 7.038 1.00 0.00 N ATOM 568 CA PRO A 39 -5.211 13.645 6.169 1.00 0.00 C ATOM 569 C PRO A 39 -4.241 14.480 5.341 1.00 0.00 C ATOM 570 O PRO A 39 -3.076 14.637 5.703 1.00 0.00 O ATOM 571 CB PRO A 39 -5.974 14.533 7.156 1.00 0.00 C ATOM 572 CG PRO A 39 -5.201 14.439 8.426 1.00 0.00 C ATOM 573 CD PRO A 39 -4.632 13.047 8.462 1.00 0.00 C ATOM 0 HA PRO A 39 -5.850 13.147 5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.029 15.562 6.801 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.999 14.187 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.408 15.186 8.456 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.843 14.621 9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.663 13.022 8.960 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.285 12.360 9.001 1.00 0.00 H new ATOM 581 N GLY A 40 -4.731 15.015 4.226 1.00 0.00 N ATOM 582 CA GLY A 40 -3.893 15.828 3.364 1.00 0.00 C ATOM 583 C GLY A 40 -2.515 15.230 3.163 1.00 0.00 C ATOM 584 O GLY A 40 -1.558 15.945 2.865 1.00 0.00 O ATOM 0 H GLY A 40 -5.692 14.900 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.379 15.946 2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.794 16.825 3.794 1.00 0.00 H new ATOM 588 N SER A 41 -2.412 13.915 3.328 1.00 0.00 N ATOM 589 CA SER A 41 -1.139 13.222 3.168 1.00 0.00 C ATOM 590 C SER A 41 -1.043 12.571 1.792 1.00 0.00 C ATOM 591 O SER A 41 -2.049 12.254 1.156 1.00 0.00 O ATOM 592 CB SER A 41 -0.971 12.162 4.259 1.00 0.00 C ATOM 593 OG SER A 41 -1.750 11.013 3.977 1.00 0.00 O ATOM 0 H SER A 41 -3.195 13.308 3.572 1.00 0.00 H new ATOM 0 HA SER A 41 -0.340 13.957 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.079 11.882 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.266 12.577 5.223 1.00 0.00 H new ATOM 0 HG SER A 41 -2.371 10.849 4.717 1.00 0.00 H new ATOM 599 N PRO A 42 0.195 12.366 1.320 1.00 0.00 N ATOM 600 CA PRO A 42 0.453 11.751 0.014 1.00 0.00 C ATOM 601 C PRO A 42 -0.359 10.478 -0.197 1.00 0.00 C ATOM 602 O PRO A 42 -0.683 10.119 -1.329 1.00 0.00 O ATOM 603 CB PRO A 42 1.949 11.429 0.063 1.00 0.00 C ATOM 604 CG PRO A 42 2.516 12.411 1.030 1.00 0.00 C ATOM 605 CD PRO A 42 1.439 12.719 2.024 1.00 0.00 C ATOM 0 HA PRO A 42 0.171 12.408 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.123 10.404 0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.408 11.531 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.394 11.999 1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.837 13.317 0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.560 12.137 2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.450 13.770 2.312 1.00 0.00 H new ATOM 613 N ALA A 43 -0.686 9.802 0.898 1.00 0.00 N ATOM 614 CA ALA A 43 -1.463 8.570 0.832 1.00 0.00 C ATOM 615 C ALA A 43 -2.927 8.861 0.521 1.00 0.00 C ATOM 616 O ALA A 43 -3.501 8.283 -0.402 1.00 0.00 O ATOM 617 CB ALA A 43 -1.343 7.799 2.138 1.00 0.00 C ATOM 0 H ALA A 43 -0.425 10.086 1.842 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.061 7.959 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.928 6.882 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.297 7.550 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.717 8.412 2.958 1.00 0.00 H new ATOM 623 N GLU A 44 -3.526 9.760 1.296 1.00 0.00 N ATOM 624 CA GLU A 44 -4.924 10.125 1.102 1.00 0.00 C ATOM 625 C GLU A 44 -5.122 10.828 -0.237 1.00 0.00 C ATOM 626 O GLU A 44 -6.163 10.684 -0.878 1.00 0.00 O ATOM 627 CB GLU A 44 -5.400 11.030 2.241 1.00 0.00 C ATOM 628 CG GLU A 44 -6.874 11.390 2.156 1.00 0.00 C ATOM 629 CD GLU A 44 -7.491 11.649 3.517 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.139 10.927 4.474 1.00 0.00 O ATOM 631 OE2 GLU A 44 -8.324 12.572 3.625 1.00 0.00 O ATOM 0 H GLU A 44 -3.065 10.249 2.064 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.516 9.210 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.210 10.533 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.810 11.946 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.992 12.277 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.414 10.581 1.665 1.00 0.00 H new ATOM 638 N ALA A 45 -4.115 11.589 -0.654 1.00 0.00 N ATOM 639 CA ALA A 45 -4.177 12.313 -1.917 1.00 0.00 C ATOM 640 C ALA A 45 -3.852 11.397 -3.092 1.00 0.00 C ATOM 641 O ALA A 45 -4.329 11.608 -4.207 1.00 0.00 O ATOM 642 CB ALA A 45 -3.226 13.500 -1.892 1.00 0.00 C ATOM 0 H ALA A 45 -3.247 11.720 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.195 12.680 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.283 14.032 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.506 14.173 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.207 13.147 -1.734 1.00 0.00 H new ATOM 648 N ALA A 46 -3.037 10.380 -2.835 1.00 0.00 N ATOM 649 CA ALA A 46 -2.649 9.431 -3.871 1.00 0.00 C ATOM 650 C ALA A 46 -3.847 8.614 -4.344 1.00 0.00 C ATOM 651 O ALA A 46 -3.889 8.160 -5.486 1.00 0.00 O ATOM 652 CB ALA A 46 -1.550 8.511 -3.360 1.00 0.00 C ATOM 0 H ALA A 46 -2.632 10.192 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.268 9.996 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.270 7.808 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.680 9.105 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.911 7.961 -2.491 1.00 0.00 H new ATOM 658 N GLY A 47 -4.821 8.432 -3.457 1.00 0.00 N ATOM 659 CA GLY A 47 -6.006 7.669 -3.802 1.00 0.00 C ATOM 660 C GLY A 47 -6.159 6.420 -2.958 1.00 0.00 C ATOM 661 O GLY A 47 -7.081 5.630 -3.165 1.00 0.00 O ATOM 0 H GLY A 47 -4.810 8.800 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.888 8.298 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.960 7.389 -4.854 1.00 0.00 H new ATOM 665 N LEU A 48 -5.252 6.239 -2.003 1.00 0.00 N ATOM 666 CA LEU A 48 -5.289 5.075 -1.124 1.00 0.00 C ATOM 667 C LEU A 48 -6.637 4.967 -0.420 1.00 0.00 C ATOM 668 O LEU A 48 -7.538 5.775 -0.651 1.00 0.00 O ATOM 669 CB LEU A 48 -4.165 5.157 -0.090 1.00 0.00 C ATOM 670 CG LEU A 48 -2.835 4.520 -0.493 1.00 0.00 C ATOM 671 CD1 LEU A 48 -1.887 4.466 0.696 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.061 3.126 -1.060 1.00 0.00 C ATOM 0 H LEU A 48 -4.483 6.883 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.148 4.184 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.987 6.207 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.509 4.682 0.829 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.379 5.136 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.946 4.010 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.699 5.477 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.336 3.873 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.103 2.688 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.539 2.500 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.703 3.190 -1.939 1.00 0.00 H new ATOM 684 N LYS A 49 -6.770 3.966 0.443 1.00 0.00 N ATOM 685 CA LYS A 49 -8.006 3.753 1.186 1.00 0.00 C ATOM 686 C LYS A 49 -7.763 2.871 2.406 1.00 0.00 C ATOM 687 O LYS A 49 -6.900 1.995 2.389 1.00 0.00 O ATOM 688 CB LYS A 49 -9.064 3.113 0.283 1.00 0.00 C ATOM 689 CG LYS A 49 -9.745 4.099 -0.649 1.00 0.00 C ATOM 690 CD LYS A 49 -11.128 3.619 -1.056 1.00 0.00 C ATOM 691 CE LYS A 49 -11.968 4.753 -1.623 1.00 0.00 C ATOM 692 NZ LYS A 49 -11.493 5.174 -2.971 1.00 0.00 N ATOM 0 H LYS A 49 -6.035 3.288 0.645 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.367 4.723 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.596 2.328 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.819 2.634 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.826 5.069 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.132 4.242 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.035 2.827 -1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.633 3.188 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.009 4.437 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.935 5.605 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.091 5.949 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.507 5.500 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.549 4.368 -3.626 1.00 0.00 H new ATOM 706 N ASN A 50 -8.532 3.108 3.464 1.00 0.00 N ATOM 707 CA ASN A 50 -8.400 2.334 4.694 1.00 0.00 C ATOM 708 C ASN A 50 -8.740 0.866 4.451 1.00 0.00 C ATOM 709 O ASN A 50 -9.409 0.526 3.476 1.00 0.00 O ATOM 710 CB ASN A 50 -9.311 2.907 5.782 1.00 0.00 C ATOM 711 CG ASN A 50 -9.015 4.365 6.075 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.787 5.252 5.712 1.00 0.00 O ATOM 713 ND2 ASN A 50 -7.891 4.618 6.736 1.00 0.00 N ATOM 0 H ASN A 50 -9.253 3.829 3.495 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.364 2.399 5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.351 2.805 5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.192 2.324 6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.638 5.580 6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.281 3.850 7.017 1.00 0.00 H new ATOM 720 N ASN A 51 -8.274 0.001 5.346 1.00 0.00 N ATOM 721 CA ASN A 51 -8.528 -1.430 5.230 1.00 0.00 C ATOM 722 C ASN A 51 -8.165 -1.935 3.837 1.00 0.00 C ATOM 723 O ASN A 51 -8.727 -2.919 3.356 1.00 0.00 O ATOM 724 CB ASN A 51 -9.997 -1.734 5.528 1.00 0.00 C ATOM 725 CG ASN A 51 -10.909 -1.373 4.372 1.00 0.00 C ATOM 726 OD1 ASN A 51 -11.034 -2.128 3.407 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.551 -0.215 4.464 1.00 0.00 N ATOM 0 H ASN A 51 -7.719 0.266 6.159 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.902 -1.945 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.107 -2.794 5.756 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.306 -1.183 6.416 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.178 0.081 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.417 0.379 5.282 1.00 0.00 H new ATOM 734 N ASP A 52 -7.221 -1.256 3.194 1.00 0.00 N ATOM 735 CA ASP A 52 -6.782 -1.637 1.857 1.00 0.00 C ATOM 736 C ASP A 52 -5.839 -2.834 1.915 1.00 0.00 C ATOM 737 O ASP A 52 -4.851 -2.826 2.652 1.00 0.00 O ATOM 738 CB ASP A 52 -6.088 -0.459 1.171 1.00 0.00 C ATOM 739 CG ASP A 52 -7.058 0.412 0.396 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.260 0.409 0.735 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.614 1.098 -0.548 1.00 0.00 O ATOM 0 H ASP A 52 -6.745 -0.439 3.577 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.662 -1.918 1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.580 0.147 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.322 -0.836 0.494 1.00 0.00 H new ATOM 746 N LEU A 53 -6.149 -3.864 1.136 1.00 0.00 N ATOM 747 CA LEU A 53 -5.330 -5.070 1.099 1.00 0.00 C ATOM 748 C LEU A 53 -4.322 -5.010 -0.045 1.00 0.00 C ATOM 749 O LEU A 53 -4.694 -5.066 -1.217 1.00 0.00 O ATOM 750 CB LEU A 53 -6.216 -6.308 0.948 1.00 0.00 C ATOM 751 CG LEU A 53 -5.503 -7.658 1.023 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.208 -8.026 2.469 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.337 -8.741 0.355 1.00 0.00 C ATOM 0 H LEU A 53 -6.962 -3.888 0.521 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.782 -5.135 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.980 -6.280 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.733 -6.246 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.556 -7.577 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.700 -8.990 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.569 -7.264 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.143 -8.088 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.813 -9.695 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.300 -8.822 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.496 -8.484 -0.692 1.00 0.00 H new ATOM 765 N VAL A 54 -3.045 -4.897 0.304 1.00 0.00 N ATOM 766 CA VAL A 54 -1.983 -4.833 -0.692 1.00 0.00 C ATOM 767 C VAL A 54 -1.395 -6.214 -0.960 1.00 0.00 C ATOM 768 O VAL A 54 -0.937 -6.894 -0.041 1.00 0.00 O ATOM 769 CB VAL A 54 -0.854 -3.883 -0.249 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.260 -3.858 -1.285 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.399 -2.484 -0.006 1.00 0.00 C ATOM 0 H VAL A 54 -2.721 -4.848 1.270 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.432 -4.449 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.438 -4.253 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.049 -3.182 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.669 -4.861 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.138 -3.513 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.588 -1.827 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.843 -2.102 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.158 -2.520 0.776 1.00 0.00 H new ATOM 781 N VAL A 55 -1.411 -6.623 -2.224 1.00 0.00 N ATOM 782 CA VAL A 55 -0.878 -7.923 -2.613 1.00 0.00 C ATOM 783 C VAL A 55 0.487 -7.781 -3.278 1.00 0.00 C ATOM 784 O VAL A 55 1.337 -8.663 -3.167 1.00 0.00 O ATOM 785 CB VAL A 55 -1.832 -8.656 -3.576 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.115 -9.049 -2.860 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.133 -7.789 -4.789 1.00 0.00 C ATOM 0 H VAL A 55 -1.787 -6.073 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.775 -8.509 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.343 -9.567 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.776 -9.565 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.878 -9.710 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.611 -8.154 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.808 -8.322 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.602 -6.860 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.205 -7.563 -5.314 1.00 0.00 H new ATOM 797 N ALA A 56 0.688 -6.665 -3.970 1.00 0.00 N ATOM 798 CA ALA A 56 1.950 -6.405 -4.651 1.00 0.00 C ATOM 799 C ALA A 56 2.390 -4.958 -4.460 1.00 0.00 C ATOM 800 O ALA A 56 1.560 -4.053 -4.371 1.00 0.00 O ATOM 801 CB ALA A 56 1.827 -6.731 -6.132 1.00 0.00 C ATOM 0 H ALA A 56 -0.007 -5.926 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 56 2.711 -7.049 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.777 -6.532 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.568 -7.783 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.048 -6.112 -6.577 1.00 0.00 H new ATOM 807 N VAL A 57 3.701 -4.745 -4.398 1.00 0.00 N ATOM 808 CA VAL A 57 4.251 -3.407 -4.218 1.00 0.00 C ATOM 809 C VAL A 57 5.424 -3.163 -5.160 1.00 0.00 C ATOM 810 O VAL A 57 6.387 -3.928 -5.179 1.00 0.00 O ATOM 811 CB VAL A 57 4.717 -3.182 -2.767 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.331 -1.799 -2.612 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.558 -3.372 -1.800 1.00 0.00 C ATOM 0 H VAL A 57 4.402 -5.483 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 57 3.451 -2.703 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 57 5.482 -3.921 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.654 -1.658 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.189 -1.705 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.590 -1.041 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.905 -3.209 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.769 -2.657 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.169 -4.386 -1.893 1.00 0.00 H new ATOM 823 N ASN A 58 5.335 -2.092 -5.942 1.00 0.00 N ATOM 824 CA ASN A 58 6.390 -1.747 -6.888 1.00 0.00 C ATOM 825 C ASN A 58 6.638 -2.891 -7.867 1.00 0.00 C ATOM 826 O ASN A 58 7.771 -3.134 -8.280 1.00 0.00 O ATOM 827 CB ASN A 58 7.682 -1.410 -6.143 1.00 0.00 C ATOM 828 CG ASN A 58 7.614 -0.064 -5.447 1.00 0.00 C ATOM 829 OD1 ASN A 58 7.017 0.883 -5.961 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.227 0.028 -4.273 1.00 0.00 N ATOM 0 H ASN A 58 4.544 -1.448 -5.939 1.00 0.00 H new ATOM 0 HA ASN A 58 6.066 -0.873 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.887 -2.187 -5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.515 -1.411 -6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.215 0.909 -3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.710 -0.782 -3.885 1.00 0.00 H new ATOM 837 N GLY A 59 5.569 -3.591 -8.234 1.00 0.00 N ATOM 838 CA GLY A 59 5.692 -4.701 -9.162 1.00 0.00 C ATOM 839 C GLY A 59 6.389 -5.897 -8.545 1.00 0.00 C ATOM 840 O GLY A 59 7.132 -6.609 -9.221 1.00 0.00 O ATOM 0 H GLY A 59 4.620 -3.410 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.700 -4.998 -9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.246 -4.375 -10.042 1.00 0.00 H new ATOM 844 N LYS A 60 6.151 -6.120 -7.257 1.00 0.00 N ATOM 845 CA LYS A 60 6.762 -7.238 -6.548 1.00 0.00 C ATOM 846 C LYS A 60 5.798 -7.821 -5.520 1.00 0.00 C ATOM 847 O LYS A 60 5.419 -7.150 -4.560 1.00 0.00 O ATOM 848 CB LYS A 60 8.051 -6.787 -5.857 1.00 0.00 C ATOM 849 CG LYS A 60 9.108 -6.270 -6.818 1.00 0.00 C ATOM 850 CD LYS A 60 10.499 -6.352 -6.213 1.00 0.00 C ATOM 851 CE LYS A 60 10.808 -5.133 -5.358 1.00 0.00 C ATOM 852 NZ LYS A 60 10.823 -3.880 -6.163 1.00 0.00 N ATOM 0 H LYS A 60 5.539 -5.541 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 60 7.000 -8.013 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.813 -6.004 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.463 -7.624 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.077 -6.849 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.886 -5.236 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.580 -7.254 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.239 -6.436 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.064 -5.047 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.775 -5.265 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.436 -3.178 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.187 -4.084 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.857 -3.502 -6.235 1.00 0.00 H new ATOM 866 N SER A 61 5.408 -9.075 -5.726 1.00 0.00 N ATOM 867 CA SER A 61 4.486 -9.748 -4.817 1.00 0.00 C ATOM 868 C SER A 61 4.964 -9.629 -3.373 1.00 0.00 C ATOM 869 O SER A 61 5.982 -10.209 -2.994 1.00 0.00 O ATOM 870 CB SER A 61 4.345 -11.222 -5.200 1.00 0.00 C ATOM 871 OG SER A 61 5.392 -11.997 -4.642 1.00 0.00 O ATOM 0 H SER A 61 5.716 -9.645 -6.514 1.00 0.00 H new ATOM 0 HA SER A 61 3.513 -9.264 -4.900 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.384 -11.601 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.354 -11.321 -6.285 1.00 0.00 H new ATOM 0 HG SER A 61 6.032 -11.407 -4.192 1.00 0.00 H new ATOM 877 N VAL A 62 4.221 -8.873 -2.571 1.00 0.00 N ATOM 878 CA VAL A 62 4.567 -8.678 -1.168 1.00 0.00 C ATOM 879 C VAL A 62 3.647 -9.485 -0.258 1.00 0.00 C ATOM 880 O VAL A 62 3.991 -9.777 0.887 1.00 0.00 O ATOM 881 CB VAL A 62 4.487 -7.192 -0.772 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.315 -6.341 -1.722 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.040 -6.724 -0.747 1.00 0.00 C ATOM 0 H VAL A 62 3.376 -8.386 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 62 5.593 -9.025 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 62 4.898 -7.079 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.246 -5.294 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.356 -6.661 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.937 -6.457 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.003 -5.672 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.600 -6.851 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.479 -7.314 -0.022 1.00 0.00 H new ATOM 893 N GLU A 63 2.476 -9.843 -0.776 1.00 0.00 N ATOM 894 CA GLU A 63 1.507 -10.617 -0.010 1.00 0.00 C ATOM 895 C GLU A 63 2.162 -11.846 0.614 1.00 0.00 C ATOM 896 O GLU A 63 1.677 -12.384 1.608 1.00 0.00 O ATOM 897 CB GLU A 63 0.341 -11.045 -0.904 1.00 0.00 C ATOM 898 CG GLU A 63 0.571 -12.371 -1.609 1.00 0.00 C ATOM 899 CD GLU A 63 -0.403 -12.602 -2.748 1.00 0.00 C ATOM 900 OE1 GLU A 63 -1.595 -12.849 -2.468 1.00 0.00 O ATOM 901 OE2 GLU A 63 0.025 -12.536 -3.919 1.00 0.00 O ATOM 0 H GLU A 63 2.176 -9.609 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 63 1.127 -9.983 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.563 -11.117 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.164 -10.271 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.590 -12.401 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.480 -13.183 -0.887 1.00 0.00 H new ATOM 908 N ALA A 64 3.268 -12.284 0.021 1.00 0.00 N ATOM 909 CA ALA A 64 3.991 -13.448 0.518 1.00 0.00 C ATOM 910 C ALA A 64 4.884 -13.077 1.697 1.00 0.00 C ATOM 911 O ALA A 64 5.131 -13.896 2.584 1.00 0.00 O ATOM 912 CB ALA A 64 4.819 -14.071 -0.597 1.00 0.00 C ATOM 0 H ALA A 64 3.683 -11.850 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 64 3.260 -14.178 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.354 -14.939 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.161 -14.381 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.536 -13.340 -0.970 1.00 0.00 H new ATOM 918 N LEU A 65 5.365 -11.839 1.703 1.00 0.00 N ATOM 919 CA LEU A 65 6.232 -11.360 2.774 1.00 0.00 C ATOM 920 C LEU A 65 5.432 -11.106 4.048 1.00 0.00 C ATOM 921 O LEU A 65 4.215 -11.285 4.075 1.00 0.00 O ATOM 922 CB LEU A 65 6.947 -10.078 2.343 1.00 0.00 C ATOM 923 CG LEU A 65 8.248 -10.266 1.562 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.644 -8.972 0.867 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.361 -10.740 2.485 1.00 0.00 C ATOM 0 H LEU A 65 5.169 -11.148 0.978 1.00 0.00 H new ATOM 0 HA LEU A 65 6.975 -12.131 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.261 -9.491 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.163 -9.489 3.234 1.00 0.00 H new ATOM 0 HG LEU A 65 8.086 -11.029 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.572 -9.124 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.856 -8.675 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.788 -8.189 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.279 -10.868 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.523 -10.000 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.079 -11.691 2.936 1.00 0.00 H new ATOM 937 N ASP A 66 6.125 -10.687 5.101 1.00 0.00 N ATOM 938 CA ASP A 66 5.480 -10.405 6.378 1.00 0.00 C ATOM 939 C ASP A 66 5.449 -8.904 6.652 1.00 0.00 C ATOM 940 O ASP A 66 5.943 -8.107 5.854 1.00 0.00 O ATOM 941 CB ASP A 66 6.208 -11.128 7.512 1.00 0.00 C ATOM 942 CG ASP A 66 7.415 -10.358 8.009 1.00 0.00 C ATOM 943 OD1 ASP A 66 8.462 -10.392 7.328 1.00 0.00 O ATOM 944 OD2 ASP A 66 7.314 -9.722 9.079 1.00 0.00 O ATOM 0 H ASP A 66 7.134 -10.535 5.095 1.00 0.00 H new ATOM 0 HA ASP A 66 4.453 -10.768 6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.517 -11.288 8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.525 -12.112 7.167 1.00 0.00 H new ATOM 949 N HIS A 67 4.865 -8.526 7.785 1.00 0.00 N ATOM 950 CA HIS A 67 4.770 -7.121 8.164 1.00 0.00 C ATOM 951 C HIS A 67 6.029 -6.362 7.756 1.00 0.00 C ATOM 952 O HIS A 67 5.980 -5.471 6.907 1.00 0.00 O ATOM 953 CB HIS A 67 4.548 -6.992 9.671 1.00 0.00 C ATOM 954 CG HIS A 67 4.665 -5.586 10.175 1.00 0.00 C ATOM 955 ND1 HIS A 67 3.631 -4.924 10.803 1.00 0.00 N ATOM 956 CD2 HIS A 67 5.701 -4.717 10.142 1.00 0.00 C ATOM 957 CE1 HIS A 67 4.027 -3.708 11.133 1.00 0.00 C ATOM 958 NE2 HIS A 67 5.280 -3.557 10.744 1.00 0.00 N ATOM 0 H HIS A 67 4.451 -9.173 8.456 1.00 0.00 H new ATOM 0 HA HIS A 67 3.919 -6.685 7.640 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.559 -7.377 9.919 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.273 -7.618 10.192 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.678 -4.901 9.720 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.428 -2.963 11.636 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.843 -2.716 10.870 1.00 0.00 H new ATOM 967 N ASP A 68 7.153 -6.720 8.365 1.00 0.00 N ATOM 968 CA ASP A 68 8.425 -6.072 8.065 1.00 0.00 C ATOM 969 C ASP A 68 8.766 -6.203 6.584 1.00 0.00 C ATOM 970 O ASP A 68 9.039 -5.212 5.909 1.00 0.00 O ATOM 971 CB ASP A 68 9.544 -6.679 8.914 1.00 0.00 C ATOM 972 CG ASP A 68 9.194 -6.719 10.389 1.00 0.00 C ATOM 973 OD1 ASP A 68 8.321 -7.526 10.770 1.00 0.00 O ATOM 974 OD2 ASP A 68 9.795 -5.944 11.162 1.00 0.00 O ATOM 0 H ASP A 68 7.210 -7.455 9.070 1.00 0.00 H new ATOM 0 HA ASP A 68 8.330 -5.013 8.305 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.753 -7.690 8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.457 -6.099 8.776 1.00 0.00 H new ATOM 979 N GLY A 69 8.748 -7.436 6.084 1.00 0.00 N ATOM 980 CA GLY A 69 9.057 -7.674 4.687 1.00 0.00 C ATOM 981 C GLY A 69 8.401 -6.664 3.767 1.00 0.00 C ATOM 982 O GLY A 69 9.082 -5.950 3.030 1.00 0.00 O ATOM 0 H GLY A 69 8.525 -8.273 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.137 -7.641 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.731 -8.677 4.412 1.00 0.00 H new ATOM 986 N VAL A 70 7.074 -6.603 3.807 1.00 0.00 N ATOM 987 CA VAL A 70 6.326 -5.673 2.971 1.00 0.00 C ATOM 988 C VAL A 70 6.775 -4.236 3.208 1.00 0.00 C ATOM 989 O VAL A 70 7.390 -3.615 2.341 1.00 0.00 O ATOM 990 CB VAL A 70 4.811 -5.775 3.233 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.053 -4.762 2.390 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.317 -7.187 2.956 1.00 0.00 C ATOM 0 H VAL A 70 6.495 -7.187 4.410 1.00 0.00 H new ATOM 0 HA VAL A 70 6.528 -5.948 1.936 1.00 0.00 H new ATOM 0 HB VAL A 70 4.626 -5.548 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.985 -4.850 2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.388 -3.756 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.242 -4.953 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.245 -7.241 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.514 -7.444 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.837 -7.889 3.608 1.00 0.00 H new ATOM 1002 N VAL A 71 6.465 -3.712 4.390 1.00 0.00 N ATOM 1003 CA VAL A 71 6.838 -2.348 4.743 1.00 0.00 C ATOM 1004 C VAL A 71 8.263 -2.036 4.300 1.00 0.00 C ATOM 1005 O VAL A 71 8.623 -0.875 4.108 1.00 0.00 O ATOM 1006 CB VAL A 71 6.720 -2.108 6.260 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.264 -0.736 6.629 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.275 -2.257 6.712 1.00 0.00 C ATOM 0 H VAL A 71 5.956 -4.212 5.119 1.00 0.00 H new ATOM 0 HA VAL A 71 6.145 -1.686 4.223 1.00 0.00 H new ATOM 0 HB VAL A 71 7.318 -2.859 6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.172 -0.585 7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.314 -0.672 6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.697 0.033 6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.210 -2.084 7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.653 -1.530 6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.925 -3.264 6.485 1.00 0.00 H new ATOM 1018 N GLU A 72 9.069 -3.080 4.139 1.00 0.00 N ATOM 1019 CA GLU A 72 10.456 -2.917 3.718 1.00 0.00 C ATOM 1020 C GLU A 72 10.532 -2.440 2.271 1.00 0.00 C ATOM 1021 O GLU A 72 11.132 -1.406 1.978 1.00 0.00 O ATOM 1022 CB GLU A 72 11.218 -4.234 3.874 1.00 0.00 C ATOM 1023 CG GLU A 72 12.724 -4.058 3.972 1.00 0.00 C ATOM 1024 CD GLU A 72 13.446 -5.359 4.265 1.00 0.00 C ATOM 1025 OE1 GLU A 72 12.929 -6.426 3.873 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.528 -5.310 4.886 1.00 0.00 O ATOM 0 H GLU A 72 8.786 -4.048 4.294 1.00 0.00 H new ATOM 0 HA GLU A 72 10.917 -2.162 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.862 -4.746 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.990 -4.878 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.099 -3.641 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.951 -3.336 4.756 1.00 0.00 H new ATOM 1033 N MET A 73 9.921 -3.203 1.370 1.00 0.00 N ATOM 1034 CA MET A 73 9.920 -2.859 -0.047 1.00 0.00 C ATOM 1035 C MET A 73 9.681 -1.365 -0.243 1.00 0.00 C ATOM 1036 O MET A 73 10.422 -0.698 -0.966 1.00 0.00 O ATOM 1037 CB MET A 73 8.847 -3.660 -0.787 1.00 0.00 C ATOM 1038 CG MET A 73 9.010 -5.165 -0.649 1.00 0.00 C ATOM 1039 SD MET A 73 10.376 -5.810 -1.633 1.00 0.00 S ATOM 1040 CE MET A 73 9.489 -6.779 -2.850 1.00 0.00 C ATOM 0 H MET A 73 9.421 -4.063 1.596 1.00 0.00 H new ATOM 0 HA MET A 73 10.898 -3.110 -0.457 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.866 -3.373 -0.409 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.872 -3.395 -1.844 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.174 -5.414 0.399 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.085 -5.656 -0.953 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.194 -7.185 -3.576 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.967 -7.597 -2.354 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.765 -6.145 -3.363 1.00 0.00 H new ATOM 1050 N ILE A 74 8.642 -0.846 0.403 1.00 0.00 N ATOM 1051 CA ILE A 74 8.307 0.568 0.300 1.00 0.00 C ATOM 1052 C ILE A 74 9.511 1.444 0.632 1.00 0.00 C ATOM 1053 O ILE A 74 9.758 2.453 -0.029 1.00 0.00 O ATOM 1054 CB ILE A 74 7.142 0.941 1.235 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.898 0.121 0.887 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.845 2.430 1.144 1.00 0.00 C ATOM 1057 CD1 ILE A 74 5.812 -1.193 1.632 1.00 0.00 C ATOM 0 H ILE A 74 8.018 -1.385 1.004 1.00 0.00 H new ATOM 0 HA ILE A 74 8.004 0.746 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 74 7.431 0.711 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.009 0.713 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.892 -0.077 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.019 2.678 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.730 2.996 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.573 2.685 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.905 -1.721 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.682 -1.804 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.786 -1.002 2.705 1.00 0.00 H new ATOM 1069 N ARG A 75 10.257 1.050 1.658 1.00 0.00 N ATOM 1070 CA ARG A 75 11.436 1.799 2.077 1.00 0.00 C ATOM 1071 C ARG A 75 12.528 1.733 1.014 1.00 0.00 C ATOM 1072 O ARG A 75 13.403 2.598 0.952 1.00 0.00 O ATOM 1073 CB ARG A 75 11.967 1.254 3.404 1.00 0.00 C ATOM 1074 CG ARG A 75 11.257 1.819 4.623 1.00 0.00 C ATOM 1075 CD ARG A 75 11.863 1.293 5.915 1.00 0.00 C ATOM 1076 NE ARG A 75 13.241 1.744 6.097 1.00 0.00 N ATOM 1077 CZ ARG A 75 14.074 1.218 6.987 1.00 0.00 C ATOM 1078 NH1 ARG A 75 13.673 0.228 7.772 1.00 0.00 N ATOM 1079 NH2 ARG A 75 15.313 1.683 7.093 1.00 0.00 N ATOM 0 H ARG A 75 10.066 0.217 2.215 1.00 0.00 H new ATOM 0 HA ARG A 75 11.146 2.841 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.867 0.169 3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.031 1.477 3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.317 2.907 4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.200 1.558 4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.259 1.624 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.836 0.203 5.911 1.00 0.00 H new ATOM 0 HE ARG A 75 13.581 2.504 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.722 -0.132 7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.316 -0.174 8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.625 2.445 6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.953 1.279 7.777 1.00 0.00 H new ATOM 1093 N LYS A 76 12.472 0.702 0.179 1.00 0.00 N ATOM 1094 CA LYS A 76 13.455 0.522 -0.883 1.00 0.00 C ATOM 1095 C LYS A 76 13.150 1.434 -2.067 1.00 0.00 C ATOM 1096 O LYS A 76 14.044 1.798 -2.830 1.00 0.00 O ATOM 1097 CB LYS A 76 13.479 -0.938 -1.342 1.00 0.00 C ATOM 1098 CG LYS A 76 13.537 -1.934 -0.198 1.00 0.00 C ATOM 1099 CD LYS A 76 14.970 -2.241 0.202 1.00 0.00 C ATOM 1100 CE LYS A 76 15.480 -1.260 1.247 1.00 0.00 C ATOM 1101 NZ LYS A 76 16.955 -1.074 1.161 1.00 0.00 N ATOM 0 H LYS A 76 11.755 -0.023 0.217 1.00 0.00 H new ATOM 0 HA LYS A 76 14.435 0.787 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.590 -1.137 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.341 -1.092 -1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.996 -1.535 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.035 -2.856 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.030 -3.256 0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.611 -2.202 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.984 -0.298 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.217 -1.620 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.263 -0.399 1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.429 -1.987 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.204 -0.706 0.221 1.00 0.00 H new ATOM 1115 N GLY A 77 11.880 1.800 -2.214 1.00 0.00 N ATOM 1116 CA GLY A 77 11.480 2.668 -3.307 1.00 0.00 C ATOM 1117 C GLY A 77 12.229 3.985 -3.305 1.00 0.00 C ATOM 1118 O GLY A 77 12.417 4.602 -4.353 1.00 0.00 O ATOM 0 H GLY A 77 11.121 1.511 -1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.652 2.157 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.410 2.862 -3.240 1.00 0.00 H new ATOM 1122 N GLY A 78 12.657 4.420 -2.123 1.00 0.00 N ATOM 1123 CA GLY A 78 13.383 5.671 -2.011 1.00 0.00 C ATOM 1124 C GLY A 78 12.477 6.838 -1.671 1.00 0.00 C ATOM 1125 O GLY A 78 12.419 7.272 -0.520 1.00 0.00 O ATOM 0 H GLY A 78 12.513 3.928 -1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.150 5.575 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.896 5.875 -2.951 1.00 0.00 H new ATOM 1129 N ASP A 79 11.770 7.349 -2.673 1.00 0.00 N ATOM 1130 CA ASP A 79 10.864 8.474 -2.474 1.00 0.00 C ATOM 1131 C ASP A 79 9.442 8.106 -2.889 1.00 0.00 C ATOM 1132 O ASP A 79 8.496 8.293 -2.125 1.00 0.00 O ATOM 1133 CB ASP A 79 11.342 9.689 -3.269 1.00 0.00 C ATOM 1134 CG ASP A 79 11.659 9.348 -4.712 1.00 0.00 C ATOM 1135 OD1 ASP A 79 12.664 8.645 -4.949 1.00 0.00 O ATOM 1136 OD2 ASP A 79 10.902 9.784 -5.604 1.00 0.00 O ATOM 0 H ASP A 79 11.807 7.002 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 79 10.861 8.723 -1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.574 10.462 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.230 10.104 -2.793 1.00 0.00 H new ATOM 1141 N GLN A 80 9.302 7.583 -4.103 1.00 0.00 N ATOM 1142 CA GLN A 80 7.996 7.191 -4.619 1.00 0.00 C ATOM 1143 C GLN A 80 7.887 5.674 -4.728 1.00 0.00 C ATOM 1144 O GLN A 80 8.891 4.977 -4.879 1.00 0.00 O ATOM 1145 CB GLN A 80 7.752 7.832 -5.986 1.00 0.00 C ATOM 1146 CG GLN A 80 8.556 7.196 -7.109 1.00 0.00 C ATOM 1147 CD GLN A 80 8.259 7.812 -8.461 1.00 0.00 C ATOM 1148 OE1 GLN A 80 8.980 8.697 -8.924 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.194 7.347 -9.103 1.00 0.00 N ATOM 0 H GLN A 80 10.076 7.421 -4.747 1.00 0.00 H new ATOM 0 HA GLN A 80 7.236 7.542 -3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.691 7.763 -6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.998 8.892 -5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.619 7.299 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.340 6.128 -7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.625 6.613 -8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.945 7.724 -10.018 1.00 0.00 H new ATOM 1158 N THR A 81 6.661 5.167 -4.650 1.00 0.00 N ATOM 1159 CA THR A 81 6.420 3.732 -4.738 1.00 0.00 C ATOM 1160 C THR A 81 4.978 3.440 -5.137 1.00 0.00 C ATOM 1161 O THR A 81 4.043 4.051 -4.619 1.00 0.00 O ATOM 1162 CB THR A 81 6.723 3.028 -3.402 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.456 1.626 -3.515 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.888 3.619 -2.277 1.00 0.00 C ATOM 0 H THR A 81 5.819 5.729 -4.526 1.00 0.00 H new ATOM 0 HA THR A 81 7.092 3.346 -5.504 1.00 0.00 H new ATOM 0 HB THR A 81 7.777 3.179 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.653 1.186 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.119 3.106 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.116 4.680 -2.174 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.830 3.496 -2.506 1.00 0.00 H new ATOM 1172 N THR A 82 4.803 2.501 -6.062 1.00 0.00 N ATOM 1173 CA THR A 82 3.475 2.128 -6.532 1.00 0.00 C ATOM 1174 C THR A 82 2.919 0.954 -5.733 1.00 0.00 C ATOM 1175 O THR A 82 3.639 0.004 -5.424 1.00 0.00 O ATOM 1176 CB THR A 82 3.491 1.756 -8.026 1.00 0.00 C ATOM 1177 OG1 THR A 82 3.942 2.870 -8.804 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.107 1.332 -8.493 1.00 0.00 C ATOM 0 H THR A 82 5.566 1.985 -6.501 1.00 0.00 H new ATOM 0 HA THR A 82 2.834 2.998 -6.389 1.00 0.00 H new ATOM 0 HB THR A 82 4.175 0.918 -8.161 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.951 2.624 -9.753 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.143 1.074 -9.551 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.779 0.465 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.405 2.153 -8.343 1.00 0.00 H new ATOM 1186 N LEU A 83 1.635 1.025 -5.402 1.00 0.00 N ATOM 1187 CA LEU A 83 0.982 -0.033 -4.639 1.00 0.00 C ATOM 1188 C LEU A 83 -0.168 -0.645 -5.433 1.00 0.00 C ATOM 1189 O LEU A 83 -0.742 -0.002 -6.313 1.00 0.00 O ATOM 1190 CB LEU A 83 0.463 0.516 -3.309 1.00 0.00 C ATOM 1191 CG LEU A 83 1.254 1.679 -2.708 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.653 2.102 -1.377 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.717 1.297 -2.538 1.00 0.00 C ATOM 0 H LEU A 83 1.025 1.804 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 83 1.718 -0.812 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.568 0.839 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.446 -0.298 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 83 1.197 2.525 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.229 2.930 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.379 2.417 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.678 1.262 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.265 2.136 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.793 0.436 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.142 1.044 -3.509 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.501 -1.891 -5.115 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.585 -2.591 -5.796 1.00 0.00 C ATOM 1207 C LEU A 84 -2.543 -3.222 -4.791 1.00 0.00 C ATOM 1208 O LEU A 84 -2.287 -4.308 -4.270 1.00 0.00 O ATOM 1209 CB LEU A 84 -1.019 -3.668 -6.724 1.00 0.00 C ATOM 1210 CG LEU A 84 -2.047 -4.503 -7.488 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.883 -3.618 -8.399 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.356 -5.595 -8.291 1.00 0.00 C ATOM 0 H LEU A 84 -0.036 -2.438 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.138 -1.863 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.361 -3.187 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.401 -4.342 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.712 -4.976 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.609 -4.230 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.407 -2.873 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.233 -3.116 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.103 -6.179 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.668 -5.142 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.802 -6.247 -7.616 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.649 -2.535 -4.523 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.648 -3.029 -3.583 1.00 0.00 C ATOM 1226 C VAL A 85 -5.888 -3.534 -4.312 1.00 0.00 C ATOM 1227 O VAL A 85 -6.180 -3.108 -5.431 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.064 -1.937 -2.580 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.848 -1.393 -1.847 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.811 -0.819 -3.292 1.00 0.00 C ATOM 0 H VAL A 85 -3.876 -1.634 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.189 -3.855 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.734 -2.381 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.162 -0.623 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.358 -2.202 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.151 -0.964 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.098 -0.055 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.166 -0.376 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.705 -1.223 -3.767 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.615 -4.443 -3.673 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.825 -5.006 -4.260 1.00 0.00 C ATOM 1242 C LEU A 86 -9.071 -4.342 -3.682 1.00 0.00 C ATOM 1243 O LEU A 86 -9.120 -4.019 -2.495 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.879 -6.515 -4.018 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.231 -7.391 -5.091 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -8.045 -7.351 -6.376 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.799 -6.945 -5.351 1.00 0.00 C ATOM 0 H LEU A 86 -6.387 -4.806 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.800 -4.817 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.396 -6.727 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.924 -6.810 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.210 -8.419 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.569 -7.980 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.052 -7.719 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.098 -6.325 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.354 -7.580 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.797 -5.909 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.220 -7.026 -4.431 1.00 0.00 H new