USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 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 18 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 40 GLN : amide:sc= 0.209 X(o=0.43,f=0) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 180:sc= 0.225 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 41:sc= 0.265 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.01 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.049 X(o=-0.049,f=-0.056) USER MOD Single : A 59 SER OG : rot 180:sc= -0.243 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N PHE A 7 -4.698 -4.940 1.685 1.00 0.00 N ATOM 93 CA PHE A 7 -4.772 -3.509 1.985 1.00 0.00 C ATOM 94 C PHE A 7 -5.921 -2.807 1.239 1.00 0.00 C ATOM 95 O PHE A 7 -5.963 -2.778 0.007 1.00 0.00 O ATOM 96 CB PHE A 7 -3.408 -2.851 1.717 1.00 0.00 C ATOM 97 CG PHE A 7 -2.399 -3.098 2.828 1.00 0.00 C ATOM 98 CD1 PHE A 7 -2.718 -2.721 4.147 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.150 -3.697 2.566 1.00 0.00 C ATOM 100 CE1 PHE A 7 -1.810 -2.949 5.193 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.251 -3.939 3.623 1.00 0.00 C ATOM 102 CZ PHE A 7 -0.573 -3.551 4.933 1.00 0.00 C ATOM 0 HA PHE A 7 -5.006 -3.394 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.006 -3.231 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.547 -1.777 1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.669 -2.253 4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.883 -3.970 1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.066 -2.659 6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.692 -4.426 3.424 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.130 -3.716 5.736 1.00 0.00 H new ATOM 112 N ARG A 8 -6.865 -2.242 2.006 1.00 0.00 N ATOM 113 CA ARG A 8 -8.031 -1.469 1.536 1.00 0.00 C ATOM 114 C ARG A 8 -7.746 0.039 1.446 1.00 0.00 C ATOM 115 O ARG A 8 -6.855 0.531 2.143 1.00 0.00 O ATOM 116 CB ARG A 8 -9.211 -1.745 2.490 1.00 0.00 C ATOM 117 CG ARG A 8 -10.135 -2.823 1.904 1.00 0.00 C ATOM 118 CD ARG A 8 -11.073 -3.434 2.951 1.00 0.00 C ATOM 119 NE ARG A 8 -11.885 -2.424 3.666 1.00 0.00 N ATOM 120 CZ ARG A 8 -12.469 -2.574 4.842 1.00 0.00 C ATOM 121 NH1 ARG A 8 -12.417 -3.698 5.501 1.00 0.00 N ATOM 122 NH2 ARG A 8 -13.125 -1.591 5.388 1.00 0.00 N ATOM 0 H ARG A 8 -6.837 -2.314 3.023 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.274 -1.790 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.834 -2.069 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.774 -0.827 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.729 -2.388 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.529 -3.613 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.738 -4.146 2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.482 -3.995 3.675 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.006 -1.522 3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.914 -4.495 5.111 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.879 -3.780 6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.192 -0.694 4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.572 -1.718 6.296 1.00 0.00 H new ATOM 136 N PRO A 9 -8.514 0.802 0.644 1.00 0.00 N ATOM 137 CA PRO A 9 -8.341 2.247 0.516 1.00 0.00 C ATOM 138 C PRO A 9 -8.766 2.975 1.802 1.00 0.00 C ATOM 139 O PRO A 9 -9.809 2.679 2.388 1.00 0.00 O ATOM 140 CB PRO A 9 -9.188 2.650 -0.692 1.00 0.00 C ATOM 141 CG PRO A 9 -10.309 1.614 -0.702 1.00 0.00 C ATOM 142 CD PRO A 9 -9.627 0.349 -0.182 1.00 0.00 C ATOM 0 HA PRO A 9 -7.297 2.524 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.578 3.663 -0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.609 2.624 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.139 1.914 -0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.714 1.470 -1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.322 -0.258 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.274 -0.271 -1.006 1.00 0.00 H new ATOM 150 N GLY A 10 -7.936 3.910 2.264 1.00 0.00 N ATOM 151 CA GLY A 10 -8.160 4.714 3.471 1.00 0.00 C ATOM 152 C GLY A 10 -7.722 4.034 4.775 1.00 0.00 C ATOM 153 O GLY A 10 -7.740 4.674 5.827 1.00 0.00 O ATOM 0 H GLY A 10 -7.060 4.138 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.624 5.657 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.221 4.956 3.540 1.00 0.00 H new ATOM 157 N ASP A 11 -7.330 2.754 4.731 1.00 0.00 N ATOM 158 CA ASP A 11 -6.858 2.000 5.897 1.00 0.00 C ATOM 159 C ASP A 11 -5.592 2.653 6.484 1.00 0.00 C ATOM 160 O ASP A 11 -4.657 2.985 5.745 1.00 0.00 O ATOM 161 CB ASP A 11 -6.596 0.527 5.515 1.00 0.00 C ATOM 162 CG ASP A 11 -6.989 -0.476 6.616 1.00 0.00 C ATOM 163 OD1 ASP A 11 -7.078 -0.088 7.804 1.00 0.00 O ATOM 164 OD2 ASP A 11 -7.212 -1.664 6.283 1.00 0.00 O ATOM 0 H ASP A 11 -7.332 2.206 3.871 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.633 2.019 6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.151 0.292 4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.538 0.403 5.284 1.00 0.00 H new ATOM 169 N LYS A 12 -5.565 2.866 7.804 1.00 0.00 N ATOM 170 CA LYS A 12 -4.414 3.426 8.530 1.00 0.00 C ATOM 171 C LYS A 12 -3.252 2.430 8.542 1.00 0.00 C ATOM 172 O LYS A 12 -3.275 1.446 9.287 1.00 0.00 O ATOM 173 CB LYS A 12 -4.830 3.852 9.953 1.00 0.00 C ATOM 174 CG LYS A 12 -4.962 5.376 10.066 1.00 0.00 C ATOM 175 CD LYS A 12 -5.262 5.787 11.516 1.00 0.00 C ATOM 176 CE LYS A 12 -5.563 7.288 11.638 1.00 0.00 C ATOM 177 NZ LYS A 12 -6.955 7.614 11.225 1.00 0.00 N ATOM 0 H LYS A 12 -6.356 2.651 8.411 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.067 4.320 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.779 3.383 10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.092 3.495 10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.041 5.852 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.759 5.727 9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.113 5.215 11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.410 5.536 12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.407 7.606 12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.861 7.850 11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.116 8.637 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.097 7.334 10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.626 7.099 11.830 1.00 0.00 H new ATOM 191 N VAL A 13 -2.227 2.683 7.730 1.00 0.00 N ATOM 192 CA VAL A 13 -1.021 1.847 7.608 1.00 0.00 C ATOM 193 C VAL A 13 0.238 2.633 7.987 1.00 0.00 C ATOM 194 O VAL A 13 0.275 3.859 7.894 1.00 0.00 O ATOM 195 CB VAL A 13 -0.925 1.185 6.216 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.154 0.311 5.943 1.00 0.00 C ATOM 197 CG2 VAL A 13 -0.786 2.164 5.046 1.00 0.00 C ATOM 0 H VAL A 13 -2.206 3.499 7.118 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.103 1.029 8.324 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.009 0.596 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.064 -0.145 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.220 -0.471 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.053 0.926 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.726 1.607 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.652 2.825 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.119 2.758 5.174 1.00 0.00 H new ATOM 207 N VAL A 14 1.280 1.936 8.443 1.00 0.00 N ATOM 208 CA VAL A 14 2.593 2.512 8.777 1.00 0.00 C ATOM 209 C VAL A 14 3.569 2.257 7.636 1.00 0.00 C ATOM 210 O VAL A 14 3.778 1.116 7.218 1.00 0.00 O ATOM 211 CB VAL A 14 3.143 2.018 10.133 1.00 0.00 C ATOM 212 CG1 VAL A 14 3.052 0.504 10.323 1.00 0.00 C ATOM 213 CG2 VAL A 14 4.607 2.428 10.365 1.00 0.00 C ATOM 0 H VAL A 14 1.238 0.928 8.596 1.00 0.00 H new ATOM 0 HA VAL A 14 2.464 3.588 8.897 1.00 0.00 H new ATOM 0 HB VAL A 14 2.495 2.506 10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.458 0.235 11.298 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.009 0.192 10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.624 0.004 9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.941 2.054 11.333 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.232 2.006 9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.687 3.515 10.349 1.00 0.00 H new ATOM 223 N LEU A 15 4.166 3.338 7.136 1.00 0.00 N ATOM 224 CA LEU A 15 5.182 3.307 6.092 1.00 0.00 C ATOM 225 C LEU A 15 6.283 4.345 6.384 1.00 0.00 C ATOM 226 O LEU A 15 6.059 5.540 6.180 1.00 0.00 O ATOM 227 CB LEU A 15 4.493 3.515 4.735 1.00 0.00 C ATOM 228 CG LEU A 15 5.417 3.370 3.511 1.00 0.00 C ATOM 229 CD1 LEU A 15 6.385 2.186 3.586 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.568 3.156 2.262 1.00 0.00 C ATOM 0 H LEU A 15 3.949 4.282 7.456 1.00 0.00 H new ATOM 0 HA LEU A 15 5.684 2.340 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.678 2.797 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.046 4.509 4.719 1.00 0.00 H new ATOM 0 HG LEU A 15 6.004 4.288 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.997 2.159 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.029 2.297 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.819 1.258 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.218 3.053 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.971 2.251 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.907 4.011 2.121 1.00 0.00 H new ATOM 242 N PRO A 16 7.446 3.942 6.924 1.00 0.00 N ATOM 243 CA PRO A 16 8.563 4.857 7.164 1.00 0.00 C ATOM 244 C PRO A 16 9.218 5.349 5.848 1.00 0.00 C ATOM 245 O PRO A 16 9.049 4.717 4.801 1.00 0.00 O ATOM 246 CB PRO A 16 9.532 4.074 8.056 1.00 0.00 C ATOM 247 CG PRO A 16 9.257 2.614 7.709 1.00 0.00 C ATOM 248 CD PRO A 16 7.766 2.599 7.390 1.00 0.00 C ATOM 0 HA PRO A 16 8.235 5.777 7.648 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.568 4.344 7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.352 4.274 9.112 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.853 2.285 6.858 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.496 1.952 8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.537 1.855 6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.180 2.341 8.272 1.00 0.00 H new ATOM 256 N PRO A 17 9.985 6.461 5.882 1.00 0.00 N ATOM 257 CA PRO A 17 10.279 7.296 7.056 1.00 0.00 C ATOM 258 C PRO A 17 9.115 8.204 7.502 1.00 0.00 C ATOM 259 O PRO A 17 9.181 8.787 8.585 1.00 0.00 O ATOM 260 CB PRO A 17 11.502 8.123 6.647 1.00 0.00 C ATOM 261 CG PRO A 17 11.304 8.315 5.145 1.00 0.00 C ATOM 262 CD PRO A 17 10.688 6.984 4.714 1.00 0.00 C ATOM 0 HA PRO A 17 10.455 6.666 7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.538 9.077 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.433 7.601 6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.645 9.155 4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.247 8.509 4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.002 7.125 3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.458 6.289 4.380 1.00 0.00 H new ATOM 270 N TYR A 18 8.032 8.295 6.718 1.00 0.00 N ATOM 271 CA TYR A 18 6.819 9.068 7.036 1.00 0.00 C ATOM 272 C TYR A 18 6.169 8.628 8.362 1.00 0.00 C ATOM 273 O TYR A 18 5.738 9.458 9.163 1.00 0.00 O ATOM 274 CB TYR A 18 5.803 8.940 5.884 1.00 0.00 C ATOM 275 CG TYR A 18 6.391 9.036 4.486 1.00 0.00 C ATOM 276 CD1 TYR A 18 6.877 10.270 4.011 1.00 0.00 C ATOM 277 CD2 TYR A 18 6.455 7.893 3.663 1.00 0.00 C ATOM 278 CE1 TYR A 18 7.414 10.365 2.712 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.989 7.983 2.361 1.00 0.00 C ATOM 280 CZ TYR A 18 7.465 9.222 1.882 1.00 0.00 C ATOM 281 OH TYR A 18 7.972 9.303 0.622 1.00 0.00 O ATOM 0 H TYR A 18 7.972 7.819 5.818 1.00 0.00 H new ATOM 0 HA TYR A 18 7.119 10.109 7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.289 7.983 5.979 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.049 9.719 5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.838 11.144 4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.093 6.944 4.031 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.787 11.312 2.350 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.034 7.106 1.732 1.00 0.00 H new ATOM 0 HH TYR A 18 7.930 8.422 0.195 1.00 0.00 H new ATOM 291 N GLY A 19 6.106 7.311 8.593 1.00 0.00 N ATOM 292 CA GLY A 19 5.614 6.659 9.814 1.00 0.00 C ATOM 293 C GLY A 19 4.112 6.355 9.797 1.00 0.00 C ATOM 294 O GLY A 19 3.657 5.459 10.504 1.00 0.00 O ATOM 0 H GLY A 19 6.414 6.634 7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.161 5.728 9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.835 7.298 10.669 1.00 0.00 H new ATOM 298 N VAL A 20 3.333 7.077 8.989 1.00 0.00 N ATOM 299 CA VAL A 20 1.894 6.860 8.758 1.00 0.00 C ATOM 300 C VAL A 20 1.565 7.202 7.304 1.00 0.00 C ATOM 301 O VAL A 20 2.086 8.182 6.766 1.00 0.00 O ATOM 302 CB VAL A 20 1.023 7.740 9.690 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.468 7.402 9.548 1.00 0.00 C ATOM 304 CG2 VAL A 20 1.381 7.602 11.176 1.00 0.00 C ATOM 0 H VAL A 20 3.699 7.864 8.452 1.00 0.00 H new ATOM 0 HA VAL A 20 1.672 5.815 8.972 1.00 0.00 H new ATOM 0 HB VAL A 20 1.228 8.762 9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.050 8.037 10.215 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.783 7.572 8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.631 6.356 9.809 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.731 8.246 11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.247 6.566 11.488 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.420 7.895 11.329 1.00 0.00 H new ATOM 314 N GLY A 21 0.682 6.429 6.679 1.00 0.00 N ATOM 315 CA GLY A 21 0.155 6.647 5.332 1.00 0.00 C ATOM 316 C GLY A 21 -1.226 6.015 5.161 1.00 0.00 C ATOM 317 O GLY A 21 -1.690 5.255 6.017 1.00 0.00 O ATOM 0 H GLY A 21 0.295 5.593 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.094 7.717 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.842 6.225 4.599 1.00 0.00 H new ATOM 321 N VAL A 22 -1.886 6.319 4.045 1.00 0.00 N ATOM 322 CA VAL A 22 -3.173 5.728 3.661 1.00 0.00 C ATOM 323 C VAL A 22 -3.099 5.224 2.222 1.00 0.00 C ATOM 324 O VAL A 22 -2.550 5.886 1.337 1.00 0.00 O ATOM 325 CB VAL A 22 -4.355 6.696 3.878 1.00 0.00 C ATOM 326 CG1 VAL A 22 -4.461 7.140 5.344 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.331 7.946 2.990 1.00 0.00 C ATOM 0 H VAL A 22 -1.537 6.996 3.367 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.367 4.879 4.317 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.229 6.111 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.305 7.821 5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.611 6.267 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.542 7.648 5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.199 8.567 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.420 8.513 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.357 7.648 1.942 1.00 0.00 H new ATOM 337 N VAL A 23 -3.624 4.022 1.987 1.00 0.00 N ATOM 338 CA VAL A 23 -3.717 3.426 0.644 1.00 0.00 C ATOM 339 C VAL A 23 -4.815 4.150 -0.150 1.00 0.00 C ATOM 340 O VAL A 23 -5.865 4.472 0.407 1.00 0.00 O ATOM 341 CB VAL A 23 -4.030 1.920 0.754 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.056 1.249 -0.624 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.061 1.155 1.682 1.00 0.00 C ATOM 0 H VAL A 23 -4.001 3.426 2.724 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.765 3.538 0.124 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.021 1.867 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.279 0.188 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.823 1.716 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.084 1.365 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.341 0.102 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.043 1.249 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.114 1.573 2.687 1.00 0.00 H new ATOM 353 N ALA A 24 -4.610 4.388 -1.445 1.00 0.00 N ATOM 354 CA ALA A 24 -5.575 5.039 -2.340 1.00 0.00 C ATOM 355 C ALA A 24 -6.298 4.041 -3.267 1.00 0.00 C ATOM 356 O ALA A 24 -7.511 4.140 -3.459 1.00 0.00 O ATOM 357 CB ALA A 24 -4.834 6.111 -3.149 1.00 0.00 C ATOM 0 H ALA A 24 -3.744 4.127 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.358 5.496 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.533 6.608 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.401 6.845 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.041 5.643 -3.732 1.00 0.00 H new ATOM 363 N GLY A 25 -5.567 3.073 -3.830 1.00 0.00 N ATOM 364 CA GLY A 25 -6.100 2.031 -4.715 1.00 0.00 C ATOM 365 C GLY A 25 -5.011 1.189 -5.384 1.00 0.00 C ATOM 366 O GLY A 25 -3.817 1.459 -5.239 1.00 0.00 O ATOM 0 H GLY A 25 -4.562 2.990 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.754 1.376 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.714 2.498 -5.486 1.00 0.00 H new ATOM 370 N ILE A 26 -5.426 0.153 -6.116 1.00 0.00 N ATOM 371 CA ILE A 26 -4.544 -0.762 -6.851 1.00 0.00 C ATOM 372 C ILE A 26 -4.226 -0.161 -8.227 1.00 0.00 C ATOM 373 O ILE A 26 -5.068 -0.166 -9.129 1.00 0.00 O ATOM 374 CB ILE A 26 -5.153 -2.183 -6.969 1.00 0.00 C ATOM 375 CG1 ILE A 26 -5.321 -2.904 -5.611 1.00 0.00 C ATOM 376 CG2 ILE A 26 -4.208 -3.045 -7.823 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.497 -2.423 -4.756 1.00 0.00 C ATOM 0 H ILE A 26 -6.414 -0.081 -6.218 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.615 -0.878 -6.293 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.143 -2.062 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.441 -3.971 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.402 -2.782 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.619 -4.050 -7.918 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.104 -2.600 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.230 -3.097 -7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.527 -2.991 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.374 -1.364 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.429 -2.571 -5.302 1.00 0.00 H new ATOM 389 N ALA A 27 -3.011 0.363 -8.387 1.00 0.00 N ATOM 390 CA ALA A 27 -2.496 0.880 -9.655 1.00 0.00 C ATOM 391 C ALA A 27 -1.573 -0.159 -10.318 1.00 0.00 C ATOM 392 O ALA A 27 -0.517 -0.497 -9.784 1.00 0.00 O ATOM 393 CB ALA A 27 -1.764 2.200 -9.366 1.00 0.00 C ATOM 0 H ALA A 27 -2.342 0.442 -7.621 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.309 1.070 -10.356 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.369 2.608 -10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.460 2.913 -8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.943 2.017 -8.673 1.00 0.00 H new ATOM 399 N GLN A 28 -1.953 -0.677 -11.489 1.00 0.00 N ATOM 400 CA GLN A 28 -1.115 -1.593 -12.270 1.00 0.00 C ATOM 401 C GLN A 28 -0.054 -0.839 -13.094 1.00 0.00 C ATOM 402 O GLN A 28 -0.395 -0.033 -13.964 1.00 0.00 O ATOM 403 CB GLN A 28 -1.972 -2.513 -13.154 1.00 0.00 C ATOM 404 CG GLN A 28 -3.012 -3.305 -12.337 1.00 0.00 C ATOM 405 CD GLN A 28 -3.266 -4.696 -12.914 1.00 0.00 C ATOM 406 OE1 GLN A 28 -4.250 -4.957 -13.594 1.00 0.00 O ATOM 407 NE2 GLN A 28 -2.386 -5.645 -12.661 1.00 0.00 N ATOM 0 H GLN A 28 -2.853 -0.473 -11.924 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.576 -2.224 -11.563 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.484 -1.915 -13.908 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.324 -3.210 -13.686 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.667 -3.399 -11.307 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.949 -2.749 -12.310 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.562 -5.439 -12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.529 -6.585 -13.031 1.00 0.00 H new ATOM 416 N ARG A 29 1.234 -1.100 -12.824 1.00 0.00 N ATOM 417 CA ARG A 29 2.391 -0.552 -13.561 1.00 0.00 C ATOM 418 C ARG A 29 2.891 -1.540 -14.620 1.00 0.00 C ATOM 419 O ARG A 29 3.015 -2.734 -14.349 1.00 0.00 O ATOM 420 CB ARG A 29 3.526 -0.206 -12.582 1.00 0.00 C ATOM 421 CG ARG A 29 3.184 0.997 -11.682 1.00 0.00 C ATOM 422 CD ARG A 29 4.305 1.327 -10.684 1.00 0.00 C ATOM 423 NE ARG A 29 5.586 1.626 -11.358 1.00 0.00 N ATOM 424 CZ ARG A 29 6.789 1.651 -10.811 1.00 0.00 C ATOM 425 NH1 ARG A 29 6.968 1.478 -9.533 1.00 0.00 N ATOM 426 NH2 ARG A 29 7.844 1.850 -11.547 1.00 0.00 N ATOM 0 H ARG A 29 1.512 -1.718 -12.062 1.00 0.00 H new ATOM 0 HA ARG A 29 2.069 0.356 -14.071 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.740 -1.073 -11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.433 0.012 -13.145 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.990 1.869 -12.306 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.265 0.787 -11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.008 2.182 -10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.442 0.486 -10.004 1.00 0.00 H new ATOM 0 HE ARG A 29 5.536 1.836 -12.355 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.167 1.317 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.910 1.503 -9.142 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.746 1.988 -12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.769 1.868 -11.118 1.00 0.00 H new ATOM 440 N SER A 30 3.192 -1.036 -15.817 1.00 0.00 N ATOM 441 CA SER A 30 3.722 -1.788 -16.965 1.00 0.00 C ATOM 442 C SER A 30 5.259 -1.866 -16.939 1.00 0.00 C ATOM 443 O SER A 30 5.939 -0.883 -17.246 1.00 0.00 O ATOM 444 CB SER A 30 3.217 -1.156 -18.276 1.00 0.00 C ATOM 445 OG SER A 30 3.523 0.230 -18.364 1.00 0.00 O ATOM 0 H SER A 30 3.069 -0.046 -16.027 1.00 0.00 H new ATOM 0 HA SER A 30 3.357 -2.813 -16.902 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.663 -1.678 -19.123 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.138 -1.292 -18.350 1.00 0.00 H new ATOM 0 HG SER A 30 4.430 0.387 -18.029 1.00 0.00 H new ATOM 451 N VAL A 31 5.822 -3.022 -16.560 1.00 0.00 N ATOM 452 CA VAL A 31 7.283 -3.238 -16.451 1.00 0.00 C ATOM 453 C VAL A 31 7.684 -4.581 -17.071 1.00 0.00 C ATOM 454 O VAL A 31 7.103 -5.614 -16.747 1.00 0.00 O ATOM 455 CB VAL A 31 7.759 -3.146 -14.982 1.00 0.00 C ATOM 456 CG1 VAL A 31 9.291 -3.233 -14.910 1.00 0.00 C ATOM 457 CG2 VAL A 31 7.319 -1.840 -14.301 1.00 0.00 C ATOM 0 H VAL A 31 5.274 -3.847 -16.316 1.00 0.00 H new ATOM 0 HA VAL A 31 7.777 -2.443 -17.010 1.00 0.00 H new ATOM 0 HB VAL A 31 7.299 -3.983 -14.457 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.611 -3.167 -13.870 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.622 -4.182 -15.332 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.729 -2.412 -15.477 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.679 -1.827 -13.272 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.735 -0.990 -14.842 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.231 -1.776 -14.305 1.00 0.00 H new ATOM 467 N SER A 32 8.673 -4.587 -17.973 1.00 0.00 N ATOM 468 CA SER A 32 9.171 -5.789 -18.679 1.00 0.00 C ATOM 469 C SER A 32 8.091 -6.530 -19.505 1.00 0.00 C ATOM 470 O SER A 32 8.167 -7.740 -19.732 1.00 0.00 O ATOM 471 CB SER A 32 9.891 -6.706 -17.671 1.00 0.00 C ATOM 472 OG SER A 32 10.866 -7.529 -18.297 1.00 0.00 O ATOM 0 H SER A 32 9.167 -3.737 -18.244 1.00 0.00 H new ATOM 0 HA SER A 32 9.886 -5.459 -19.433 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.370 -6.096 -16.905 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.158 -7.334 -17.166 1.00 0.00 H new ATOM 0 HG SER A 32 11.300 -8.093 -17.623 1.00 0.00 H new ATOM 478 N GLY A 33 7.044 -5.814 -19.937 1.00 0.00 N ATOM 479 CA GLY A 33 5.861 -6.382 -20.601 1.00 0.00 C ATOM 480 C GLY A 33 4.895 -7.119 -19.657 1.00 0.00 C ATOM 481 O GLY A 33 3.986 -7.807 -20.128 1.00 0.00 O ATOM 0 H GLY A 33 6.994 -4.801 -19.832 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.319 -5.579 -21.101 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.191 -7.074 -21.376 1.00 0.00 H new ATOM 485 N VAL A 34 5.075 -6.981 -18.339 1.00 0.00 N ATOM 486 CA VAL A 34 4.287 -7.624 -17.276 1.00 0.00 C ATOM 487 C VAL A 34 3.627 -6.551 -16.408 1.00 0.00 C ATOM 488 O VAL A 34 4.293 -5.844 -15.650 1.00 0.00 O ATOM 489 CB VAL A 34 5.154 -8.576 -16.423 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.283 -9.377 -15.446 1.00 0.00 C ATOM 491 CG2 VAL A 34 5.935 -9.569 -17.295 1.00 0.00 C ATOM 0 H VAL A 34 5.813 -6.386 -17.963 1.00 0.00 H new ATOM 0 HA VAL A 34 3.511 -8.233 -17.739 1.00 0.00 H new ATOM 0 HB VAL A 34 5.857 -7.949 -15.875 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.915 -10.041 -14.856 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.756 -8.692 -14.782 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.558 -9.968 -16.006 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.533 -10.221 -16.658 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.236 -10.171 -17.876 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.592 -9.021 -17.971 1.00 0.00 H new ATOM 501 N SER A 35 2.309 -6.402 -16.529 1.00 0.00 N ATOM 502 CA SER A 35 1.521 -5.493 -15.689 1.00 0.00 C ATOM 503 C SER A 35 1.460 -6.051 -14.264 1.00 0.00 C ATOM 504 O SER A 35 0.946 -7.154 -14.061 1.00 0.00 O ATOM 505 CB SER A 35 0.090 -5.317 -16.234 1.00 0.00 C ATOM 506 OG SER A 35 0.029 -5.466 -17.647 1.00 0.00 O ATOM 0 H SER A 35 1.752 -6.910 -17.216 1.00 0.00 H new ATOM 0 HA SER A 35 2.005 -4.516 -15.694 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.568 -6.049 -15.765 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.283 -4.330 -15.958 1.00 0.00 H new ATOM 0 HG SER A 35 -0.896 -5.348 -17.949 1.00 0.00 H new ATOM 512 N ARG A 36 1.956 -5.311 -13.265 1.00 0.00 N ATOM 513 CA ARG A 36 1.900 -5.715 -11.846 1.00 0.00 C ATOM 514 C ARG A 36 1.150 -4.680 -11.027 1.00 0.00 C ATOM 515 O ARG A 36 1.368 -3.481 -11.187 1.00 0.00 O ATOM 516 CB ARG A 36 3.296 -5.951 -11.249 1.00 0.00 C ATOM 517 CG ARG A 36 4.256 -6.707 -12.172 1.00 0.00 C ATOM 518 CD ARG A 36 5.466 -7.209 -11.379 1.00 0.00 C ATOM 519 NE ARG A 36 6.608 -7.504 -12.264 1.00 0.00 N ATOM 520 CZ ARG A 36 7.748 -8.069 -11.907 1.00 0.00 C ATOM 521 NH1 ARG A 36 7.939 -8.541 -10.707 1.00 0.00 N ATOM 522 NH2 ARG A 36 8.730 -8.164 -12.757 1.00 0.00 N ATOM 0 H ARG A 36 2.411 -4.410 -13.414 1.00 0.00 H new ATOM 0 HA ARG A 36 1.365 -6.664 -11.807 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.738 -4.987 -10.995 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.191 -6.508 -10.318 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.740 -7.549 -12.634 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.587 -6.053 -12.979 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.758 -6.458 -10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.192 -8.107 -10.825 1.00 0.00 H new ATOM 0 HE ARG A 36 6.508 -7.247 -13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.196 -8.480 -10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.831 -8.971 -10.464 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.622 -7.801 -13.704 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.608 -8.601 -12.476 1.00 0.00 H new ATOM 536 N ALA A 37 0.246 -5.146 -10.175 1.00 0.00 N ATOM 537 CA ALA A 37 -0.514 -4.307 -9.260 1.00 0.00 C ATOM 538 C ALA A 37 0.361 -3.778 -8.111 1.00 0.00 C ATOM 539 O ALA A 37 1.138 -4.516 -7.499 1.00 0.00 O ATOM 540 CB ALA A 37 -1.710 -5.125 -8.766 1.00 0.00 C ATOM 0 H ALA A 37 0.017 -6.137 -10.100 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.874 -3.415 -9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.302 -4.524 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.328 -5.416 -9.616 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.353 -6.019 -8.254 1.00 0.00 H new ATOM 546 N TYR A 38 0.185 -2.494 -7.806 1.00 0.00 N ATOM 547 CA TYR A 38 0.871 -1.772 -6.745 1.00 0.00 C ATOM 548 C TYR A 38 -0.097 -0.864 -5.985 1.00 0.00 C ATOM 549 O TYR A 38 -0.787 -0.039 -6.587 1.00 0.00 O ATOM 550 CB TYR A 38 2.008 -0.941 -7.350 1.00 0.00 C ATOM 551 CG TYR A 38 3.196 -1.765 -7.809 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.079 -2.291 -6.852 1.00 0.00 C ATOM 553 CD2 TYR A 38 3.412 -2.029 -9.174 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.164 -3.095 -7.241 1.00 0.00 C ATOM 555 CE2 TYR A 38 4.513 -2.810 -9.575 1.00 0.00 C ATOM 556 CZ TYR A 38 5.377 -3.370 -8.609 1.00 0.00 C ATOM 557 OH TYR A 38 6.396 -4.185 -8.999 1.00 0.00 O ATOM 0 H TYR A 38 -0.471 -1.904 -8.318 1.00 0.00 H new ATOM 0 HA TYR A 38 1.280 -2.494 -6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.621 -0.377 -8.198 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.346 -0.214 -6.611 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.922 -2.075 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.733 -1.633 -9.915 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.832 -3.501 -6.496 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.697 -2.981 -10.625 1.00 0.00 H new ATOM 0 HH TYR A 38 6.395 -4.265 -9.976 1.00 0.00 H new ATOM 567 N TYR A 39 -0.173 -1.014 -4.662 1.00 0.00 N ATOM 568 CA TYR A 39 -0.978 -0.138 -3.814 1.00 0.00 C ATOM 569 C TYR A 39 -0.404 1.283 -3.867 1.00 0.00 C ATOM 570 O TYR A 39 0.722 1.510 -3.422 1.00 0.00 O ATOM 571 CB TYR A 39 -0.992 -0.660 -2.369 1.00 0.00 C ATOM 572 CG TYR A 39 -1.517 -2.071 -2.189 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.742 -2.454 -2.770 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.777 -3.005 -1.440 1.00 0.00 C ATOM 575 CE1 TYR A 39 -3.216 -3.770 -2.615 1.00 0.00 C ATOM 576 CE2 TYR A 39 -1.256 -4.316 -1.275 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.486 -4.703 -1.850 1.00 0.00 C ATOM 578 OH TYR A 39 -2.953 -5.974 -1.703 1.00 0.00 O ATOM 0 H TYR A 39 0.321 -1.745 -4.150 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.005 -0.124 -4.179 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.024 -0.616 -1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.598 0.014 -1.764 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.318 -1.736 -3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.161 -2.714 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.143 -4.067 -3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.680 -5.031 -0.706 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.331 -6.489 -1.148 1.00 0.00 H new ATOM 588 N GLN A 40 -1.142 2.225 -4.458 1.00 0.00 N ATOM 589 CA GLN A 40 -0.782 3.640 -4.498 1.00 0.00 C ATOM 590 C GLN A 40 -0.974 4.234 -3.094 1.00 0.00 C ATOM 591 O GLN A 40 -2.106 4.480 -2.685 1.00 0.00 O ATOM 592 CB GLN A 40 -1.651 4.354 -5.555 1.00 0.00 C ATOM 593 CG GLN A 40 -1.253 5.831 -5.701 1.00 0.00 C ATOM 594 CD GLN A 40 -2.042 6.571 -6.780 1.00 0.00 C ATOM 595 OE1 GLN A 40 -1.589 6.762 -7.901 1.00 0.00 O ATOM 596 NE2 GLN A 40 -3.214 7.088 -6.480 1.00 0.00 N ATOM 0 H GLN A 40 -2.022 2.020 -4.930 1.00 0.00 H new ATOM 0 HA GLN A 40 0.261 3.773 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.546 3.850 -6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.701 4.285 -5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.399 6.335 -4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.190 5.891 -5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.613 6.943 -5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.724 7.634 -7.175 1.00 0.00 H new ATOM 605 N VAL A 41 0.102 4.439 -2.334 1.00 0.00 N ATOM 606 CA VAL A 41 0.040 5.098 -1.014 1.00 0.00 C ATOM 607 C VAL A 41 0.168 6.617 -1.176 1.00 0.00 C ATOM 608 O VAL A 41 0.867 7.083 -2.075 1.00 0.00 O ATOM 609 CB VAL A 41 1.138 4.563 -0.073 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.903 5.040 1.368 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.176 3.028 -0.038 1.00 0.00 C ATOM 0 H VAL A 41 1.043 4.156 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.927 4.870 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 41 2.080 4.946 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.690 4.650 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.916 6.130 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.064 4.679 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.965 2.699 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.216 2.648 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.374 2.646 -1.040 1.00 0.00 H new ATOM 621 N ASP A 42 -0.474 7.391 -0.302 1.00 0.00 N ATOM 622 CA ASP A 42 -0.382 8.856 -0.239 1.00 0.00 C ATOM 623 C ASP A 42 -0.160 9.323 1.212 1.00 0.00 C ATOM 624 O ASP A 42 -0.747 8.774 2.152 1.00 0.00 O ATOM 625 CB ASP A 42 -1.660 9.458 -0.848 1.00 0.00 C ATOM 626 CG ASP A 42 -1.598 10.991 -0.941 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.773 11.513 -1.728 1.00 0.00 O ATOM 628 OD2 ASP A 42 -2.388 11.674 -0.248 1.00 0.00 O ATOM 0 H ASP A 42 -1.096 7.005 0.409 1.00 0.00 H new ATOM 0 HA ASP A 42 0.476 9.203 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.816 9.042 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.519 9.168 -0.243 1.00 0.00 H new ATOM 633 N PHE A 43 0.692 10.337 1.393 1.00 0.00 N ATOM 634 CA PHE A 43 1.088 10.886 2.699 1.00 0.00 C ATOM 635 C PHE A 43 0.807 12.398 2.766 1.00 0.00 C ATOM 636 O PHE A 43 0.976 13.088 1.754 1.00 0.00 O ATOM 637 CB PHE A 43 2.585 10.624 2.958 1.00 0.00 C ATOM 638 CG PHE A 43 3.075 9.260 2.521 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.893 8.140 3.347 1.00 0.00 C ATOM 640 CD2 PHE A 43 3.668 9.107 1.255 1.00 0.00 C ATOM 641 CE1 PHE A 43 3.298 6.871 2.907 1.00 0.00 C ATOM 642 CE2 PHE A 43 4.072 7.839 0.808 1.00 0.00 C ATOM 643 CZ PHE A 43 3.889 6.721 1.638 1.00 0.00 C ATOM 0 H PHE A 43 1.141 10.815 0.612 1.00 0.00 H new ATOM 0 HA PHE A 43 0.498 10.387 3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.168 11.387 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.781 10.741 4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.441 8.255 4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.814 9.970 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.156 6.009 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.521 7.724 -0.168 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.202 5.744 1.302 1.00 0.00 H new ATOM 653 N PRO A 44 0.422 12.950 3.932 1.00 0.00 N ATOM 654 CA PRO A 44 0.197 14.388 4.086 1.00 0.00 C ATOM 655 C PRO A 44 1.508 15.196 4.026 1.00 0.00 C ATOM 656 O PRO A 44 2.609 14.665 4.197 1.00 0.00 O ATOM 657 CB PRO A 44 -0.520 14.533 5.433 1.00 0.00 C ATOM 658 CG PRO A 44 -0.011 13.340 6.239 1.00 0.00 C ATOM 659 CD PRO A 44 0.157 12.250 5.181 1.00 0.00 C ATOM 0 HA PRO A 44 -0.400 14.793 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.276 15.478 5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.603 14.505 5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.931 13.564 6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.720 13.045 7.012 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.978 11.580 5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.742 11.638 5.104 1.00 0.00 H new ATOM 667 N GLY A 45 1.388 16.505 3.782 1.00 0.00 N ATOM 668 CA GLY A 45 2.503 17.462 3.686 1.00 0.00 C ATOM 669 C GLY A 45 3.233 17.493 2.331 1.00 0.00 C ATOM 670 O GLY A 45 3.975 18.441 2.060 1.00 0.00 O ATOM 0 H GLY A 45 0.480 16.947 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.121 18.461 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.229 17.228 4.465 1.00 0.00 H new ATOM 674 N SER A 46 3.020 16.495 1.468 1.00 0.00 N ATOM 675 CA SER A 46 3.553 16.412 0.099 1.00 0.00 C ATOM 676 C SER A 46 2.644 15.577 -0.824 1.00 0.00 C ATOM 677 O SER A 46 1.516 15.228 -0.466 1.00 0.00 O ATOM 678 CB SER A 46 4.986 15.844 0.124 1.00 0.00 C ATOM 679 OG SER A 46 4.997 14.466 0.461 1.00 0.00 O ATOM 0 H SER A 46 2.447 15.687 1.712 1.00 0.00 H new ATOM 0 HA SER A 46 3.580 17.421 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.450 15.984 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.586 16.400 0.845 1.00 0.00 H new ATOM 0 HG SER A 46 5.920 14.138 0.466 1.00 0.00 H new ATOM 685 N ARG A 47 3.131 15.283 -2.036 1.00 0.00 N ATOM 686 CA ARG A 47 2.511 14.421 -3.060 1.00 0.00 C ATOM 687 C ARG A 47 3.321 13.139 -3.306 1.00 0.00 C ATOM 688 O ARG A 47 3.067 12.435 -4.282 1.00 0.00 O ATOM 689 CB ARG A 47 2.303 15.233 -4.353 1.00 0.00 C ATOM 690 CG ARG A 47 0.864 15.746 -4.495 1.00 0.00 C ATOM 691 CD ARG A 47 0.795 16.633 -5.742 1.00 0.00 C ATOM 692 NE ARG A 47 -0.566 16.722 -6.302 1.00 0.00 N ATOM 693 CZ ARG A 47 -0.880 17.221 -7.484 1.00 0.00 C ATOM 694 NH1 ARG A 47 0.012 17.782 -8.254 1.00 0.00 N ATOM 695 NH2 ARG A 47 -2.103 17.163 -7.928 1.00 0.00 N ATOM 0 H ARG A 47 4.024 15.662 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 47 1.539 14.090 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.990 16.079 -4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.551 14.611 -5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.169 14.911 -4.583 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.572 16.311 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.146 17.634 -5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.471 16.239 -6.501 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.331 16.368 -5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.983 17.844 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.262 18.158 -9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.831 16.729 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.333 17.552 -8.843 1.00 0.00 H new ATOM 709 N SER A 48 4.303 12.831 -2.449 1.00 0.00 N ATOM 710 CA SER A 48 5.068 11.579 -2.525 1.00 0.00 C ATOM 711 C SER A 48 4.132 10.368 -2.519 1.00 0.00 C ATOM 712 O SER A 48 3.182 10.315 -1.733 1.00 0.00 O ATOM 713 CB SER A 48 6.069 11.471 -1.362 1.00 0.00 C ATOM 714 OG SER A 48 7.399 11.595 -1.840 1.00 0.00 O ATOM 0 H SER A 48 4.590 13.442 -1.684 1.00 0.00 H new ATOM 0 HA SER A 48 5.624 11.590 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.866 12.249 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.946 10.514 -0.856 1.00 0.00 H new ATOM 0 HG SER A 48 8.024 11.526 -1.089 1.00 0.00 H new ATOM 720 N LYS A 49 4.409 9.393 -3.388 1.00 0.00 N ATOM 721 CA LYS A 49 3.677 8.122 -3.469 1.00 0.00 C ATOM 722 C LYS A 49 4.652 6.952 -3.417 1.00 0.00 C ATOM 723 O LYS A 49 5.732 7.005 -4.010 1.00 0.00 O ATOM 724 CB LYS A 49 2.777 8.070 -4.724 1.00 0.00 C ATOM 725 CG LYS A 49 1.780 9.244 -4.754 1.00 0.00 C ATOM 726 CD LYS A 49 0.642 9.126 -5.775 1.00 0.00 C ATOM 727 CE LYS A 49 1.084 9.413 -7.217 1.00 0.00 C ATOM 728 NZ LYS A 49 -0.089 9.555 -8.124 1.00 0.00 N ATOM 0 H LYS A 49 5.164 9.464 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 49 3.014 8.046 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.398 8.096 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.231 7.127 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.343 9.350 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.333 10.161 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.222 8.122 -5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.154 9.819 -5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.679 10.326 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.725 8.605 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.241 9.748 -9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.642 8.674 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.686 10.342 -7.798 1.00 0.00 H new ATOM 742 N ALA A 50 4.258 5.902 -2.708 1.00 0.00 N ATOM 743 CA ALA A 50 5.003 4.656 -2.570 1.00 0.00 C ATOM 744 C ALA A 50 4.180 3.518 -3.184 1.00 0.00 C ATOM 745 O ALA A 50 3.030 3.313 -2.800 1.00 0.00 O ATOM 746 CB ALA A 50 5.310 4.414 -1.092 1.00 0.00 C ATOM 0 H ALA A 50 3.377 5.894 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 50 5.954 4.708 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.867 3.483 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.905 5.240 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.377 4.345 -0.533 1.00 0.00 H new ATOM 752 N TYR A 51 4.747 2.816 -4.162 1.00 0.00 N ATOM 753 CA TYR A 51 4.115 1.687 -4.845 1.00 0.00 C ATOM 754 C TYR A 51 4.439 0.364 -4.133 1.00 0.00 C ATOM 755 O TYR A 51 5.541 -0.170 -4.279 1.00 0.00 O ATOM 756 CB TYR A 51 4.605 1.666 -6.303 1.00 0.00 C ATOM 757 CG TYR A 51 4.138 2.843 -7.139 1.00 0.00 C ATOM 758 CD1 TYR A 51 2.770 2.995 -7.438 1.00 0.00 C ATOM 759 CD2 TYR A 51 5.072 3.786 -7.613 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.332 4.092 -8.206 1.00 0.00 C ATOM 761 CE2 TYR A 51 4.637 4.883 -8.380 1.00 0.00 C ATOM 762 CZ TYR A 51 3.266 5.041 -8.679 1.00 0.00 C ATOM 763 OH TYR A 51 2.856 6.107 -9.420 1.00 0.00 O ATOM 0 H TYR A 51 5.683 3.021 -4.511 1.00 0.00 H new ATOM 0 HA TYR A 51 3.031 1.803 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.695 1.643 -6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.265 0.744 -6.774 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.056 2.269 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.121 3.667 -7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.283 4.208 -8.433 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.354 5.606 -8.741 1.00 0.00 H new ATOM 0 HH TYR A 51 3.631 6.657 -9.659 1.00 0.00 H new ATOM 773 N VAL A 52 3.497 -0.165 -3.345 1.00 0.00 N ATOM 774 CA VAL A 52 3.702 -1.407 -2.569 1.00 0.00 C ATOM 775 C VAL A 52 3.218 -2.647 -3.339 1.00 0.00 C ATOM 776 O VAL A 52 2.064 -2.661 -3.772 1.00 0.00 O ATOM 777 CB VAL A 52 3.028 -1.330 -1.189 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.261 -2.607 -0.377 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.587 -0.125 -0.419 1.00 0.00 C ATOM 0 H VAL A 52 2.573 0.249 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 52 4.776 -1.508 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 52 1.954 -1.218 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.770 -2.517 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.848 -3.460 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.331 -2.754 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.112 -0.067 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.664 -0.241 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.383 0.789 -0.976 1.00 0.00 H new ATOM 789 N PRO A 53 4.060 -3.687 -3.525 1.00 0.00 N ATOM 790 CA PRO A 53 3.708 -4.893 -4.283 1.00 0.00 C ATOM 791 C PRO A 53 2.592 -5.701 -3.608 1.00 0.00 C ATOM 792 O PRO A 53 2.673 -6.008 -2.420 1.00 0.00 O ATOM 793 CB PRO A 53 5.004 -5.711 -4.369 1.00 0.00 C ATOM 794 CG PRO A 53 5.812 -5.256 -3.159 1.00 0.00 C ATOM 795 CD PRO A 53 5.430 -3.787 -3.034 1.00 0.00 C ATOM 0 HA PRO A 53 3.318 -4.633 -5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.803 -6.782 -4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.537 -5.517 -5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.552 -5.820 -2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.883 -5.384 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.499 -3.452 -1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.101 -3.158 -3.618 1.00 0.00 H new ATOM 803 N VAL A 54 1.570 -6.100 -4.370 1.00 0.00 N ATOM 804 CA VAL A 54 0.456 -6.927 -3.858 1.00 0.00 C ATOM 805 C VAL A 54 0.837 -8.388 -3.581 1.00 0.00 C ATOM 806 O VAL A 54 0.220 -9.042 -2.741 1.00 0.00 O ATOM 807 CB VAL A 54 -0.760 -6.890 -4.802 1.00 0.00 C ATOM 808 CG1 VAL A 54 -1.272 -5.459 -4.996 1.00 0.00 C ATOM 809 CG2 VAL A 54 -0.469 -7.479 -6.186 1.00 0.00 C ATOM 0 H VAL A 54 1.485 -5.863 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 54 0.196 -6.474 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.516 -7.505 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.131 -5.468 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.569 -5.045 -4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.481 -4.845 -5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.367 -7.422 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.333 -6.914 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.166 -8.521 -6.082 1.00 0.00 H new ATOM 819 N GLU A 55 1.854 -8.908 -4.273 1.00 0.00 N ATOM 820 CA GLU A 55 2.371 -10.276 -4.118 1.00 0.00 C ATOM 821 C GLU A 55 3.111 -10.484 -2.785 1.00 0.00 C ATOM 822 O GLU A 55 2.960 -11.530 -2.150 1.00 0.00 O ATOM 823 CB GLU A 55 3.261 -10.631 -5.329 1.00 0.00 C ATOM 824 CG GLU A 55 4.508 -9.744 -5.488 1.00 0.00 C ATOM 825 CD GLU A 55 4.965 -9.654 -6.956 1.00 0.00 C ATOM 826 OE1 GLU A 55 4.483 -8.753 -7.683 1.00 0.00 O ATOM 827 OE2 GLU A 55 5.816 -10.469 -7.387 1.00 0.00 O ATOM 0 H GLU A 55 2.359 -8.374 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 55 1.520 -10.957 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.579 -11.670 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.662 -10.560 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.292 -8.744 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.319 -10.145 -4.879 1.00 0.00 H new ATOM 834 N ALA A 56 3.907 -9.497 -2.361 1.00 0.00 N ATOM 835 CA ALA A 56 4.633 -9.503 -1.094 1.00 0.00 C ATOM 836 C ALA A 56 4.634 -8.116 -0.404 1.00 0.00 C ATOM 837 O ALA A 56 5.690 -7.483 -0.292 1.00 0.00 O ATOM 838 CB ALA A 56 6.036 -10.060 -1.365 1.00 0.00 C ATOM 0 H ALA A 56 4.066 -8.650 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 56 4.130 -10.148 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.606 -10.078 -0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.955 -11.072 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.545 -9.426 -2.091 1.00 0.00 H new ATOM 844 N PRO A 57 3.491 -7.636 0.126 1.00 0.00 N ATOM 845 CA PRO A 57 3.405 -6.308 0.744 1.00 0.00 C ATOM 846 C PRO A 57 4.199 -6.221 2.056 1.00 0.00 C ATOM 847 O PRO A 57 4.690 -5.156 2.428 1.00 0.00 O ATOM 848 CB PRO A 57 1.905 -6.059 0.941 1.00 0.00 C ATOM 849 CG PRO A 57 1.311 -7.461 1.064 1.00 0.00 C ATOM 850 CD PRO A 57 2.186 -8.283 0.119 1.00 0.00 C ATOM 0 HA PRO A 57 3.856 -5.540 0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.713 -5.464 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.476 -5.516 0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.360 -7.833 2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.263 -7.484 0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.260 -9.317 0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.765 -8.303 -0.886 1.00 0.00 H new ATOM 858 N HIS A 58 4.387 -7.358 2.737 1.00 0.00 N ATOM 859 CA HIS A 58 5.204 -7.485 3.948 1.00 0.00 C ATOM 860 C HIS A 58 6.721 -7.435 3.679 1.00 0.00 C ATOM 861 O HIS A 58 7.470 -7.075 4.586 1.00 0.00 O ATOM 862 CB HIS A 58 4.805 -8.774 4.692 1.00 0.00 C ATOM 863 CG HIS A 58 5.248 -10.044 4.000 1.00 0.00 C ATOM 864 ND1 HIS A 58 4.561 -10.731 3.012 1.00 0.00 N ATOM 865 CD2 HIS A 58 6.430 -10.692 4.226 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.337 -11.765 2.622 1.00 0.00 C ATOM 867 NE2 HIS A 58 6.473 -11.764 3.351 1.00 0.00 N ATOM 0 H HIS A 58 3.962 -8.240 2.452 1.00 0.00 H new ATOM 0 HA HIS A 58 5.001 -6.616 4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.232 -8.750 5.694 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.721 -8.794 4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.185 -10.420 4.948 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.088 -12.479 1.850 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.234 -12.439 3.271 1.00 0.00 H new ATOM 876 N SER A 59 7.192 -7.739 2.459 1.00 0.00 N ATOM 877 CA SER A 59 8.630 -7.728 2.110 1.00 0.00 C ATOM 878 C SER A 59 9.268 -6.342 2.245 1.00 0.00 C ATOM 879 O SER A 59 10.405 -6.229 2.703 1.00 0.00 O ATOM 880 CB SER A 59 8.875 -8.248 0.688 1.00 0.00 C ATOM 881 OG SER A 59 8.706 -9.654 0.662 1.00 0.00 O ATOM 0 H SER A 59 6.587 -8.001 1.681 1.00 0.00 H new ATOM 0 HA SER A 59 9.103 -8.395 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.182 -7.775 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.882 -7.986 0.362 1.00 0.00 H new ATOM 0 HG SER A 59 8.861 -9.985 -0.247 1.00 0.00 H new ATOM 887 N VAL A 60 8.535 -5.279 1.886 1.00 0.00 N ATOM 888 CA VAL A 60 8.984 -3.883 2.064 1.00 0.00 C ATOM 889 C VAL A 60 8.905 -3.403 3.527 1.00 0.00 C ATOM 890 O VAL A 60 9.455 -2.354 3.863 1.00 0.00 O ATOM 891 CB VAL A 60 8.197 -2.905 1.166 1.00 0.00 C ATOM 892 CG1 VAL A 60 8.412 -3.197 -0.325 1.00 0.00 C ATOM 893 CG2 VAL A 60 6.688 -2.900 1.434 1.00 0.00 C ATOM 0 H VAL A 60 7.611 -5.359 1.462 1.00 0.00 H new ATOM 0 HA VAL A 60 10.032 -3.883 1.765 1.00 0.00 H new ATOM 0 HB VAL A 60 8.597 -1.924 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.840 -2.486 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.471 -3.103 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.078 -4.210 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.202 -2.189 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.284 -3.897 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.503 -2.610 2.468 1.00 0.00 H new ATOM 903 N GLY A 61 8.217 -4.151 4.399 1.00 0.00 N ATOM 904 CA GLY A 61 7.955 -3.809 5.802 1.00 0.00 C ATOM 905 C GLY A 61 6.658 -3.022 6.058 1.00 0.00 C ATOM 906 O GLY A 61 6.452 -2.554 7.179 1.00 0.00 O ATOM 0 H GLY A 61 7.811 -5.049 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.921 -4.731 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.795 -3.225 6.179 1.00 0.00 H new ATOM 910 N LEU A 62 5.778 -2.858 5.056 1.00 0.00 N ATOM 911 CA LEU A 62 4.466 -2.215 5.217 1.00 0.00 C ATOM 912 C LEU A 62 3.549 -3.078 6.103 1.00 0.00 C ATOM 913 O LEU A 62 3.323 -4.256 5.814 1.00 0.00 O ATOM 914 CB LEU A 62 3.806 -1.949 3.840 1.00 0.00 C ATOM 915 CG LEU A 62 2.466 -1.184 3.973 1.00 0.00 C ATOM 916 CD1 LEU A 62 2.686 0.309 4.198 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.541 -1.345 2.768 1.00 0.00 C ATOM 0 H LEU A 62 5.961 -3.172 4.103 1.00 0.00 H new ATOM 0 HA LEU A 62 4.616 -1.254 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.490 -1.374 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.632 -2.898 3.333 1.00 0.00 H new ATOM 0 HG LEU A 62 1.984 -1.636 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.722 0.810 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.258 0.459 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.236 0.727 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.624 -0.781 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.039 -0.970 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.299 -2.399 2.633 1.00 0.00 H new ATOM 929 N ARG A 63 2.995 -2.477 7.163 1.00 0.00 N ATOM 930 CA ARG A 63 2.010 -3.084 8.077 1.00 0.00 C ATOM 931 C ARG A 63 0.897 -2.096 8.439 1.00 0.00 C ATOM 932 O ARG A 63 0.991 -0.900 8.164 1.00 0.00 O ATOM 933 CB ARG A 63 2.712 -3.631 9.337 1.00 0.00 C ATOM 934 CG ARG A 63 3.350 -5.007 9.087 1.00 0.00 C ATOM 935 CD ARG A 63 3.775 -5.650 10.412 1.00 0.00 C ATOM 936 NE ARG A 63 4.096 -7.081 10.245 1.00 0.00 N ATOM 937 CZ ARG A 63 4.446 -7.927 11.198 1.00 0.00 C ATOM 938 NH1 ARG A 63 4.621 -7.543 12.431 1.00 0.00 N ATOM 939 NH2 ARG A 63 4.625 -9.189 10.931 1.00 0.00 N ATOM 0 H ARG A 63 3.227 -1.518 7.421 1.00 0.00 H new ATOM 0 HA ARG A 63 1.538 -3.920 7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.480 -2.928 9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.990 -3.708 10.150 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.641 -5.655 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.216 -4.900 8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.644 -5.126 10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.975 -5.539 11.144 1.00 0.00 H new ATOM 0 HE ARG A 63 4.042 -7.455 9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.488 -6.564 12.684 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.891 -8.222 13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.495 -9.532 9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.895 -9.834 11.674 1.00 0.00 H new ATOM 953 N LYS A 64 -0.171 -2.597 9.061 1.00 0.00 N ATOM 954 CA LYS A 64 -1.292 -1.795 9.582 1.00 0.00 C ATOM 955 C LYS A 64 -0.832 -0.991 10.806 1.00 0.00 C ATOM 956 O LYS A 64 -0.130 -1.528 11.664 1.00 0.00 O ATOM 957 CB LYS A 64 -2.474 -2.718 9.937 1.00 0.00 C ATOM 958 CG LYS A 64 -2.988 -3.481 8.702 1.00 0.00 C ATOM 959 CD LYS A 64 -4.015 -4.576 9.027 1.00 0.00 C ATOM 960 CE LYS A 64 -5.376 -4.271 8.388 1.00 0.00 C ATOM 961 NZ LYS A 64 -6.213 -5.495 8.281 1.00 0.00 N ATOM 0 H LYS A 64 -0.289 -3.597 9.223 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.625 -1.093 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.164 -3.430 10.702 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.284 -2.126 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.438 -2.770 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.140 -3.934 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.650 -5.538 8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.129 -4.661 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.899 -3.522 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.226 -3.843 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.126 -5.254 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.724 -6.200 7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.376 -5.888 9.230 1.00 0.00 H new ATOM 975 N ALA A 65 -1.217 0.281 10.893 1.00 0.00 N ATOM 976 CA ALA A 65 -0.941 1.133 12.054 1.00 0.00 C ATOM 977 C ALA A 65 -1.979 0.888 13.166 1.00 0.00 C ATOM 978 O ALA A 65 -1.616 0.616 14.313 1.00 0.00 O ATOM 979 CB ALA A 65 -0.917 2.605 11.613 1.00 0.00 C ATOM 0 H ALA A 65 -1.735 0.756 10.154 1.00 0.00 H new ATOM 0 HA ALA A 65 0.036 0.882 12.466 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.712 3.240 12.475 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.138 2.748 10.864 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.884 2.873 11.187 1.00 0.00 H new