USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 932 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 87 SER OG : rot 180:sc= -1.59 USER MOD Set 1.2: A 126 MET CE :methyl 148:sc= -5.85! (180deg=-5.45!) USER MOD Set 2.1: A 56 CYS SG : rot -180:sc= -1.02 USER MOD Set 2.2: A 58 CYS SG : rot 86:sc= -0.49 USER MOD Set 2.3: A 116 CYS SG : rot -104:sc= 0.0259 USER MOD Set 2.4: A 118 HIS : no HD1:sc= -1.09 X(o=-2.6,f=-2.6) USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= 1.23 F(o=-0.29,f=2.5) USER MOD Set 3.2: A 90 TYR OH : rot -26:sc= 1.24 USER MOD Set 4.1: A 11 TYR OH : rot 57:sc= -3.93! USER MOD Set 4.2: A 45 THR OG1 : rot 180:sc= -0.707 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.018) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 30 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.1) USER MOD Single : A 31 CYS SG : rot 31:sc= -1.26 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.2) USER MOD Single : A 43 SER OG : rot 55:sc= -0.0727 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot 31:sc= 0.044 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 59 THR OG1 : rot 1:sc= 0.785 USER MOD Single : A 60 THR OG1 : rot 12:sc= 0.309! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc=-0.00812 X(o=-0.0081,f=-0.008) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0551 USER MOD Single : A 85 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.4) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 143:sc= -0.624 (180deg=-1.53!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -8.6! C(o=-8.6!,f=-9.2!) USER MOD Single : A 96 SER OG : rot 150:sc= -0.848 USER MOD Single : A 97 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.46) USER MOD Single : A 102 THR OG1 : rot 48:sc= 0.0297 USER MOD Single : A 125 THR OG1 : rot -50:sc= -4.11! USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 9 4.399 -0.948 5.357 1.00 0.00 N ATOM 106 CA ALA A 9 4.170 -2.219 4.680 1.00 0.00 C ATOM 107 C ALA A 9 3.025 -2.991 5.325 1.00 0.00 C ATOM 108 O ALA A 9 2.755 -2.841 6.518 1.00 0.00 O ATOM 109 CB ALA A 9 5.442 -3.055 4.685 1.00 0.00 C ATOM 0 HA ALA A 9 3.890 -2.006 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.257 -4.001 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.235 -2.514 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.746 -3.249 5.714 1.00 0.00 H new ATOM 115 N VAL A 10 2.357 -3.819 4.529 1.00 0.00 N ATOM 116 CA VAL A 10 1.240 -4.620 5.019 1.00 0.00 C ATOM 117 C VAL A 10 1.676 -6.058 5.281 1.00 0.00 C ATOM 118 O VAL A 10 2.248 -6.711 4.408 1.00 0.00 O ATOM 119 CB VAL A 10 0.071 -4.621 4.013 1.00 0.00 C ATOM 120 CG1 VAL A 10 -1.100 -5.433 4.545 1.00 0.00 C ATOM 121 CG2 VAL A 10 -0.358 -3.196 3.695 1.00 0.00 C ATOM 0 H VAL A 10 2.570 -3.953 3.541 1.00 0.00 H new ATOM 0 HA VAL A 10 0.904 -4.169 5.953 1.00 0.00 H new ATOM 0 HB VAL A 10 0.413 -5.090 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.912 -5.419 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.782 -6.462 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.446 -5.001 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.184 -3.215 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.679 -2.700 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.481 -2.651 3.262 1.00 0.00 H new ATOM 131 N TYR A 11 1.404 -6.549 6.487 1.00 0.00 N ATOM 132 CA TYR A 11 1.772 -7.912 6.853 1.00 0.00 C ATOM 133 C TYR A 11 0.527 -8.777 7.025 1.00 0.00 C ATOM 134 O TYR A 11 -0.290 -8.537 7.913 1.00 0.00 O ATOM 135 CB TYR A 11 2.583 -7.888 8.153 1.00 0.00 C ATOM 136 CG TYR A 11 2.985 -9.253 8.665 1.00 0.00 C ATOM 137 CD1 TYR A 11 2.043 -10.126 9.196 1.00 0.00 C ATOM 138 CD2 TYR A 11 4.311 -9.663 8.630 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.413 -11.368 9.674 1.00 0.00 C ATOM 140 CE2 TYR A 11 4.688 -10.902 9.107 1.00 0.00 C ATOM 141 CZ TYR A 11 3.736 -11.752 9.627 1.00 0.00 C ATOM 142 OH TYR A 11 4.107 -12.988 10.106 1.00 0.00 O ATOM 0 H TYR A 11 0.932 -6.025 7.224 1.00 0.00 H new ATOM 0 HA TYR A 11 2.378 -8.342 6.055 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.483 -7.294 7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.999 -7.383 8.922 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.005 -9.829 9.236 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.061 -9.001 8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.669 -12.035 10.083 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.724 -11.204 9.073 1.00 0.00 H new ATOM 0 HH TYR A 11 3.597 -13.685 9.642 1.00 0.00 H new ATOM 152 N VAL A 12 0.391 -9.790 6.172 1.00 0.00 N ATOM 153 CA VAL A 12 -0.752 -10.694 6.236 1.00 0.00 C ATOM 154 C VAL A 12 -0.315 -12.141 6.458 1.00 0.00 C ATOM 155 O VAL A 12 0.273 -12.763 5.573 1.00 0.00 O ATOM 156 CB VAL A 12 -1.620 -10.598 4.965 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.843 -11.497 5.079 1.00 0.00 C ATOM 158 CG2 VAL A 12 -2.033 -9.155 4.723 1.00 0.00 C ATOM 0 H VAL A 12 1.057 -10.004 5.430 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.351 -10.380 7.091 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.031 -10.939 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.441 -11.414 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.524 -12.531 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.441 -11.191 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.646 -9.098 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.607 -8.793 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.143 -8.538 4.596 1.00 0.00 H new ATOM 168 N GLY A 13 -0.617 -12.674 7.637 1.00 0.00 N ATOM 169 CA GLY A 13 -0.260 -14.048 7.953 1.00 0.00 C ATOM 170 C GLY A 13 1.197 -14.369 7.672 1.00 0.00 C ATOM 171 O GLY A 13 2.097 -13.698 8.178 1.00 0.00 O ATOM 0 H GLY A 13 -1.105 -12.178 8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.470 -14.238 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.892 -14.722 7.375 1.00 0.00 H new ATOM 175 N ASN A 14 1.428 -15.405 6.868 1.00 0.00 N ATOM 176 CA ASN A 14 2.785 -15.824 6.523 1.00 0.00 C ATOM 177 C ASN A 14 3.276 -15.144 5.247 1.00 0.00 C ATOM 178 O ASN A 14 4.247 -15.587 4.636 1.00 0.00 O ATOM 179 CB ASN A 14 2.842 -17.343 6.356 1.00 0.00 C ATOM 180 CG ASN A 14 2.728 -18.075 7.680 1.00 0.00 C ATOM 181 OD1 ASN A 14 3.409 -17.739 8.648 1.00 0.00 O ATOM 182 ND2 ASN A 14 1.863 -19.082 7.727 1.00 0.00 N ATOM 0 H ASN A 14 0.693 -15.970 6.443 1.00 0.00 H new ATOM 0 HA ASN A 14 3.441 -15.523 7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.036 -17.664 5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.779 -17.618 5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.743 -19.611 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.319 -19.326 6.899 1.00 0.00 H new ATOM 189 N TYR A 15 2.608 -14.065 4.854 1.00 0.00 N ATOM 190 CA TYR A 15 2.983 -13.314 3.660 1.00 0.00 C ATOM 191 C TYR A 15 3.078 -11.827 3.989 1.00 0.00 C ATOM 192 O TYR A 15 2.140 -11.249 4.539 1.00 0.00 O ATOM 193 CB TYR A 15 1.943 -13.506 2.552 1.00 0.00 C ATOM 194 CG TYR A 15 2.075 -14.786 1.753 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.240 -15.546 1.765 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.014 -15.232 0.979 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.336 -16.709 1.027 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.104 -16.392 0.242 1.00 0.00 C ATOM 199 CZ TYR A 15 2.266 -17.128 0.267 1.00 0.00 C ATOM 200 OH TYR A 15 2.361 -18.288 -0.466 1.00 0.00 O ATOM 0 H TYR A 15 1.799 -13.689 5.348 1.00 0.00 H new ATOM 0 HA TYR A 15 3.949 -13.684 3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.950 -13.478 3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.007 -12.661 1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.081 -15.222 2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.099 -14.658 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.247 -17.289 1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.266 -16.723 -0.353 1.00 0.00 H new ATOM 0 HH TYR A 15 1.520 -18.442 -0.945 1.00 0.00 H new ATOM 210 N LYS A 16 4.198 -11.207 3.648 1.00 0.00 N ATOM 211 CA LYS A 16 4.381 -9.783 3.909 1.00 0.00 C ATOM 212 C LYS A 16 4.626 -9.023 2.610 1.00 0.00 C ATOM 213 O LYS A 16 5.642 -9.229 1.947 1.00 0.00 O ATOM 214 CB LYS A 16 5.552 -9.566 4.870 1.00 0.00 C ATOM 215 CG LYS A 16 5.806 -8.104 5.200 1.00 0.00 C ATOM 216 CD LYS A 16 6.684 -7.953 6.433 1.00 0.00 C ATOM 217 CE LYS A 16 7.829 -6.983 6.190 1.00 0.00 C ATOM 218 NZ LYS A 16 9.098 -7.455 6.810 1.00 0.00 N ATOM 0 H LYS A 16 4.990 -11.662 3.193 1.00 0.00 H new ATOM 0 HA LYS A 16 3.469 -9.401 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.358 -10.110 5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.454 -9.993 4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.284 -7.616 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.855 -7.597 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.080 -7.601 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.085 -8.926 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.975 -6.855 5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.569 -6.005 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.854 -6.766 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.967 -7.553 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.361 -8.376 6.405 1.00 0.00 H new ATOM 232 N VAL A 17 3.696 -8.141 2.247 1.00 0.00 N ATOM 233 CA VAL A 17 3.842 -7.363 1.022 1.00 0.00 C ATOM 234 C VAL A 17 4.377 -5.964 1.329 1.00 0.00 C ATOM 235 O VAL A 17 3.774 -5.207 2.090 1.00 0.00 O ATOM 236 CB VAL A 17 2.509 -7.272 0.222 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.586 -8.436 0.560 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.790 -5.949 0.456 1.00 0.00 C ATOM 0 H VAL A 17 2.845 -7.950 2.776 1.00 0.00 H new ATOM 0 HA VAL A 17 4.563 -7.887 0.395 1.00 0.00 H new ATOM 0 HB VAL A 17 2.772 -7.326 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.663 -8.347 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.079 -9.376 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.355 -8.420 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.866 -5.930 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.558 -5.844 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.431 -5.126 0.142 1.00 0.00 H new ATOM 248 N VAL A 18 5.517 -5.635 0.734 1.00 0.00 N ATOM 249 CA VAL A 18 6.143 -4.335 0.937 1.00 0.00 C ATOM 250 C VAL A 18 6.652 -3.753 -0.380 1.00 0.00 C ATOM 251 O VAL A 18 6.844 -4.479 -1.356 1.00 0.00 O ATOM 252 CB VAL A 18 7.309 -4.425 1.943 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.418 -5.317 1.404 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.843 -3.041 2.275 1.00 0.00 C ATOM 0 H VAL A 18 6.028 -6.254 0.105 1.00 0.00 H new ATOM 0 HA VAL A 18 5.377 -3.674 1.343 1.00 0.00 H new ATOM 0 HB VAL A 18 6.931 -4.872 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.230 -5.366 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.026 -6.319 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.793 -4.905 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.664 -3.129 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.201 -2.561 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.047 -2.439 2.713 1.00 0.00 H new ATOM 264 N ASN A 19 6.887 -2.445 -0.398 1.00 0.00 N ATOM 265 CA ASN A 19 7.395 -1.777 -1.591 1.00 0.00 C ATOM 266 C ASN A 19 8.758 -2.349 -1.972 1.00 0.00 C ATOM 267 O ASN A 19 9.574 -2.660 -1.104 1.00 0.00 O ATOM 268 CB ASN A 19 7.507 -0.271 -1.352 1.00 0.00 C ATOM 269 CG ASN A 19 7.714 0.505 -2.638 1.00 0.00 C ATOM 270 OD1 ASN A 19 8.909 1.057 -2.810 1.00 0.00 O flip ATOM 271 ND2 ASN A 19 6.811 0.607 -3.468 1.00 0.00 N flip ATOM 0 H ASN A 19 6.734 -1.827 0.399 1.00 0.00 H new ATOM 0 HA ASN A 19 6.697 -1.949 -2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.602 0.084 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.338 -0.074 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.907 0.166 -3.295 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.966 1.132 -4.329 1.00 0.00 H new ATOM 278 N ARG A 20 9.001 -2.499 -3.272 1.00 0.00 N ATOM 279 CA ARG A 20 10.267 -3.047 -3.750 1.00 0.00 C ATOM 280 C ARG A 20 11.451 -2.240 -3.231 1.00 0.00 C ATOM 281 O ARG A 20 12.439 -2.800 -2.757 1.00 0.00 O ATOM 282 CB ARG A 20 10.292 -3.082 -5.279 1.00 0.00 C ATOM 283 CG ARG A 20 10.086 -1.725 -5.928 1.00 0.00 C ATOM 284 CD ARG A 20 11.410 -1.085 -6.315 1.00 0.00 C ATOM 285 NE ARG A 20 11.266 0.340 -6.607 1.00 0.00 N ATOM 286 CZ ARG A 20 12.132 1.039 -7.337 1.00 0.00 C ATOM 287 NH1 ARG A 20 13.207 0.451 -7.847 1.00 0.00 N ATOM 288 NH2 ARG A 20 11.924 2.330 -7.556 1.00 0.00 N ATOM 0 H ARG A 20 8.342 -2.250 -4.009 1.00 0.00 H new ATOM 0 HA ARG A 20 10.352 -4.064 -3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.248 -3.490 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.517 -3.763 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.461 -1.836 -6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.551 -1.069 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.127 -1.218 -5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.817 -1.594 -7.188 1.00 0.00 H new ATOM 0 HE ARG A 20 10.454 0.828 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.373 -0.542 -7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.867 0.992 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.100 2.787 -7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.588 2.866 -8.115 1.00 0.00 H new ATOM 302 N HIS A 21 11.349 -0.921 -3.317 1.00 0.00 N ATOM 303 CA HIS A 21 12.416 -0.046 -2.850 1.00 0.00 C ATOM 304 C HIS A 21 12.579 -0.136 -1.333 1.00 0.00 C ATOM 305 O HIS A 21 13.542 0.390 -0.777 1.00 0.00 O ATOM 306 CB HIS A 21 12.132 1.399 -3.260 1.00 0.00 C ATOM 307 CG HIS A 21 13.355 2.156 -3.672 1.00 0.00 C ATOM 308 ND1 HIS A 21 13.782 3.303 -3.035 1.00 0.00 N ATOM 309 CD2 HIS A 21 14.247 1.926 -4.665 1.00 0.00 C ATOM 310 CE1 HIS A 21 14.882 3.744 -3.619 1.00 0.00 C ATOM 311 NE2 HIS A 21 15.186 2.927 -4.609 1.00 0.00 N ATOM 0 H HIS A 21 10.541 -0.434 -3.705 1.00 0.00 H new ATOM 0 HA HIS A 21 13.347 -0.374 -3.313 1.00 0.00 H new ATOM 0 HB2 HIS A 21 11.419 1.401 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.657 1.918 -2.427 1.00 0.00 H new ATOM 0 HD2 HIS A 21 14.224 1.108 -5.370 1.00 0.00 H new ATOM 0 HE1 HIS A 21 15.438 4.625 -3.334 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.988 3.023 -5.232 1.00 0.00 H new ATOM 320 N LEU A 22 11.632 -0.794 -0.666 1.00 0.00 N ATOM 321 CA LEU A 22 11.682 -0.929 0.784 1.00 0.00 C ATOM 322 C LEU A 22 11.855 -2.383 1.228 1.00 0.00 C ATOM 323 O LEU A 22 11.898 -2.659 2.426 1.00 0.00 O ATOM 324 CB LEU A 22 10.413 -0.348 1.408 1.00 0.00 C ATOM 325 CG LEU A 22 10.067 1.074 0.962 1.00 0.00 C ATOM 326 CD1 LEU A 22 8.677 1.460 1.443 1.00 0.00 C ATOM 327 CD2 LEU A 22 11.104 2.060 1.479 1.00 0.00 C ATOM 0 H LEU A 22 10.826 -1.239 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 22 12.555 -0.374 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.575 -1.002 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.523 -0.356 2.492 1.00 0.00 H new ATOM 0 HG LEU A 22 10.074 1.106 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.448 2.474 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.943 0.770 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.642 1.412 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.843 3.067 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.127 2.026 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.086 1.795 1.087 1.00 0.00 H new ATOM 339 N ALA A 23 11.954 -3.317 0.279 1.00 0.00 N ATOM 340 CA ALA A 23 12.119 -4.720 0.637 1.00 0.00 C ATOM 341 C ALA A 23 13.592 -5.082 0.784 1.00 0.00 C ATOM 342 O ALA A 23 14.398 -4.831 -0.111 1.00 0.00 O ATOM 343 CB ALA A 23 11.443 -5.616 -0.388 1.00 0.00 C ATOM 0 H ALA A 23 11.923 -3.129 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 23 11.640 -4.879 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.577 -6.660 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.379 -5.385 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.888 -5.447 -1.369 1.00 0.00 H new ATOM 349 N THR A 24 13.932 -5.671 1.925 1.00 0.00 N ATOM 350 CA THR A 24 15.307 -6.072 2.204 1.00 0.00 C ATOM 351 C THR A 24 15.677 -7.316 1.408 1.00 0.00 C ATOM 352 O THR A 24 14.805 -8.020 0.902 1.00 0.00 O ATOM 353 CB THR A 24 15.493 -6.333 3.700 1.00 0.00 C ATOM 354 OG1 THR A 24 16.701 -7.031 3.942 1.00 0.00 O ATOM 355 CG2 THR A 24 14.367 -7.139 4.315 1.00 0.00 C ATOM 0 H THR A 24 13.273 -5.882 2.674 1.00 0.00 H new ATOM 0 HA THR A 24 15.967 -5.258 1.903 1.00 0.00 H new ATOM 0 HB THR A 24 15.506 -5.346 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.802 -7.186 4.904 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.563 -7.287 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.426 -6.603 4.191 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.300 -8.108 3.820 1.00 0.00 H new ATOM 363 N HIS A 25 16.975 -7.586 1.297 1.00 0.00 N ATOM 364 CA HIS A 25 17.453 -8.744 0.549 1.00 0.00 C ATOM 365 C HIS A 25 16.784 -10.024 1.037 1.00 0.00 C ATOM 366 O HIS A 25 16.591 -10.966 0.268 1.00 0.00 O ATOM 367 CB HIS A 25 18.973 -8.867 0.676 1.00 0.00 C ATOM 368 CG HIS A 25 19.721 -8.247 -0.464 1.00 0.00 C ATOM 369 ND1 HIS A 25 19.554 -6.934 -0.849 1.00 0.00 N ATOM 370 CD2 HIS A 25 20.647 -8.768 -1.304 1.00 0.00 C ATOM 371 CE1 HIS A 25 20.342 -6.674 -1.878 1.00 0.00 C ATOM 372 NE2 HIS A 25 21.016 -7.771 -2.172 1.00 0.00 N ATOM 0 H HIS A 25 17.713 -7.019 1.715 1.00 0.00 H new ATOM 0 HA HIS A 25 17.193 -8.599 -0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.291 -8.397 1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.240 -9.922 0.744 1.00 0.00 H new ATOM 0 HD2 HIS A 25 21.025 -9.780 -1.293 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.421 -5.727 -2.391 1.00 0.00 H new ATOM 0 HE2 HIS A 25 21.700 -7.863 -2.923 1.00 0.00 H new ATOM 381 N VAL A 26 16.423 -10.049 2.312 1.00 0.00 N ATOM 382 CA VAL A 26 15.764 -11.212 2.890 1.00 0.00 C ATOM 383 C VAL A 26 14.348 -11.360 2.341 1.00 0.00 C ATOM 384 O VAL A 26 13.841 -12.471 2.188 1.00 0.00 O ATOM 385 CB VAL A 26 15.699 -11.118 4.426 1.00 0.00 C ATOM 386 CG1 VAL A 26 15.176 -12.417 5.019 1.00 0.00 C ATOM 387 CG2 VAL A 26 17.066 -10.776 4.998 1.00 0.00 C ATOM 0 H VAL A 26 16.575 -9.280 2.965 1.00 0.00 H new ATOM 0 HA VAL A 26 16.356 -12.085 2.615 1.00 0.00 H new ATOM 0 HB VAL A 26 15.008 -10.319 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.137 -12.332 6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 26 14.176 -12.616 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.840 -13.236 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.001 -10.714 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.781 -11.551 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.398 -9.818 4.599 1.00 0.00 H new ATOM 397 N ASP A 27 13.716 -10.228 2.039 1.00 0.00 N ATOM 398 CA ASP A 27 12.368 -10.226 1.500 1.00 0.00 C ATOM 399 C ASP A 27 12.359 -10.798 0.095 1.00 0.00 C ATOM 400 O ASP A 27 11.482 -11.583 -0.263 1.00 0.00 O ATOM 401 CB ASP A 27 11.798 -8.803 1.493 1.00 0.00 C ATOM 402 CG ASP A 27 10.845 -8.558 2.647 1.00 0.00 C ATOM 403 OD1 ASP A 27 9.657 -8.923 2.524 1.00 0.00 O ATOM 404 OD2 ASP A 27 11.288 -8.002 3.674 1.00 0.00 O ATOM 0 H ASP A 27 14.122 -9.300 2.161 1.00 0.00 H new ATOM 0 HA ASP A 27 11.742 -10.851 2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.617 -8.086 1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.278 -8.627 0.552 1.00 0.00 H new ATOM 409 N TRP A 28 13.337 -10.383 -0.705 1.00 0.00 N ATOM 410 CA TRP A 28 13.433 -10.840 -2.080 1.00 0.00 C ATOM 411 C TRP A 28 13.906 -12.290 -2.170 1.00 0.00 C ATOM 412 O TRP A 28 13.336 -13.087 -2.915 1.00 0.00 O ATOM 413 CB TRP A 28 14.354 -9.929 -2.893 1.00 0.00 C ATOM 414 CG TRP A 28 13.905 -8.499 -2.903 1.00 0.00 C ATOM 415 CD1 TRP A 28 13.986 -7.618 -1.870 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.294 -7.788 -3.987 1.00 0.00 C ATOM 417 NE1 TRP A 28 13.480 -6.401 -2.241 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.044 -6.479 -3.533 1.00 0.00 C ATOM 419 CE3 TRP A 28 12.939 -8.126 -5.295 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.455 -5.510 -4.334 1.00 0.00 C ATOM 421 CZ3 TRP A 28 12.352 -7.162 -6.094 1.00 0.00 C ATOM 422 CH2 TRP A 28 12.114 -5.868 -5.612 1.00 0.00 C ATOM 0 H TRP A 28 14.070 -9.733 -0.422 1.00 0.00 H new ATOM 0 HA TRP A 28 12.429 -10.794 -2.503 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.363 -9.984 -2.484 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.405 -10.295 -3.918 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.392 -7.846 -0.895 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.436 -5.571 -1.649 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.119 -9.121 -5.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.272 -4.512 -3.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.072 -7.411 -7.107 1.00 0.00 H new ATOM 0 HH2 TRP A 28 11.653 -5.138 -6.261 1.00 0.00 H new ATOM 433 N GLN A 29 14.947 -12.630 -1.414 1.00 0.00 N ATOM 434 CA GLN A 29 15.482 -13.991 -1.429 1.00 0.00 C ATOM 435 C GLN A 29 14.385 -15.005 -1.116 1.00 0.00 C ATOM 436 O GLN A 29 14.272 -16.036 -1.780 1.00 0.00 O ATOM 437 CB GLN A 29 16.632 -14.127 -0.426 1.00 0.00 C ATOM 438 CG GLN A 29 16.184 -14.131 1.026 1.00 0.00 C ATOM 439 CD GLN A 29 17.344 -14.262 1.994 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.338 -13.543 1.892 1.00 0.00 O ATOM 441 NE2 GLN A 29 17.224 -15.185 2.941 1.00 0.00 N ATOM 0 H GLN A 29 15.434 -11.989 -0.788 1.00 0.00 H new ATOM 0 HA GLN A 29 15.866 -14.195 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.173 -15.050 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.333 -13.306 -0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.641 -13.210 1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.488 -14.955 1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.383 -15.760 2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.973 -15.319 3.620 1.00 0.00 H new ATOM 450 N ASN A 30 13.572 -14.697 -0.112 1.00 0.00 N ATOM 451 CA ASN A 30 12.474 -15.571 0.280 1.00 0.00 C ATOM 452 C ASN A 30 11.151 -15.018 -0.238 1.00 0.00 C ATOM 453 O ASN A 30 10.099 -15.213 0.372 1.00 0.00 O ATOM 454 CB ASN A 30 12.423 -15.715 1.803 1.00 0.00 C ATOM 455 CG ASN A 30 13.381 -16.772 2.316 1.00 0.00 C ATOM 456 OD1 ASN A 30 14.407 -17.052 1.694 1.00 0.00 O ATOM 457 ND2 ASN A 30 13.052 -17.366 3.458 1.00 0.00 N ATOM 0 H ASN A 30 13.653 -13.847 0.446 1.00 0.00 H new ATOM 0 HA ASN A 30 12.641 -16.555 -0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.663 -14.757 2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.408 -15.970 2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.659 -18.085 3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.193 -17.103 3.940 1.00 0.00 H new ATOM 464 N CYS A 31 11.219 -14.318 -1.366 1.00 0.00 N ATOM 465 CA CYS A 31 10.038 -13.720 -1.975 1.00 0.00 C ATOM 466 C CYS A 31 9.236 -14.748 -2.765 1.00 0.00 C ATOM 467 O CYS A 31 9.797 -15.653 -3.383 1.00 0.00 O ATOM 468 CB CYS A 31 10.451 -12.565 -2.893 1.00 0.00 C ATOM 469 SG CYS A 31 9.095 -11.846 -3.849 1.00 0.00 S ATOM 0 H CYS A 31 12.085 -14.151 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 31 9.403 -13.341 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.907 -11.782 -2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.216 -12.921 -3.583 1.00 0.00 H new ATOM 0 HG CYS A 31 7.990 -11.937 -3.171 1.00 0.00 H new ATOM 475 N VAL A 32 7.919 -14.585 -2.751 1.00 0.00 N ATOM 476 CA VAL A 32 7.025 -15.474 -3.472 1.00 0.00 C ATOM 477 C VAL A 32 6.522 -14.801 -4.747 1.00 0.00 C ATOM 478 O VAL A 32 6.449 -15.428 -5.804 1.00 0.00 O ATOM 479 CB VAL A 32 5.819 -15.892 -2.606 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.244 -16.875 -1.527 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.157 -14.676 -1.981 1.00 0.00 C ATOM 0 H VAL A 32 7.446 -13.838 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 32 7.592 -16.369 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 32 5.094 -16.384 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.377 -17.156 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.668 -17.765 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.992 -16.410 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.309 -14.995 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.877 -14.153 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.809 -14.006 -2.768 1.00 0.00 H new ATOM 491 N TRP A 33 6.180 -13.516 -4.642 1.00 0.00 N ATOM 492 CA TRP A 33 5.690 -12.759 -5.794 1.00 0.00 C ATOM 493 C TRP A 33 6.268 -11.343 -5.806 1.00 0.00 C ATOM 494 O TRP A 33 6.598 -10.788 -4.759 1.00 0.00 O ATOM 495 CB TRP A 33 4.155 -12.713 -5.788 1.00 0.00 C ATOM 496 CG TRP A 33 3.577 -11.504 -6.466 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.095 -11.421 -7.741 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.432 -10.202 -5.897 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.659 -10.142 -7.997 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.857 -9.374 -6.878 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.734 -9.657 -4.649 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.581 -8.028 -6.645 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.461 -8.325 -4.420 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.890 -7.525 -5.414 1.00 0.00 C ATOM 0 H TRP A 33 6.233 -12.980 -3.776 1.00 0.00 H new ATOM 0 HA TRP A 33 6.022 -13.266 -6.700 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.773 -13.609 -6.278 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.805 -12.740 -4.756 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.061 -12.239 -8.445 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.255 -9.818 -8.875 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.174 -10.268 -3.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.139 -7.406 -7.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.692 -7.893 -3.458 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.689 -6.485 -5.203 1.00 0.00 H new ATOM 515 N GLU A 34 6.379 -10.760 -6.997 1.00 0.00 N ATOM 516 CA GLU A 34 6.908 -9.409 -7.140 1.00 0.00 C ATOM 517 C GLU A 34 6.434 -8.767 -8.442 1.00 0.00 C ATOM 518 O GLU A 34 6.741 -9.250 -9.532 1.00 0.00 O ATOM 519 CB GLU A 34 8.438 -9.431 -7.097 1.00 0.00 C ATOM 520 CG GLU A 34 9.070 -8.052 -7.205 1.00 0.00 C ATOM 521 CD GLU A 34 9.698 -7.802 -8.563 1.00 0.00 C ATOM 522 OE1 GLU A 34 10.714 -8.457 -8.876 1.00 0.00 O ATOM 523 OE2 GLU A 34 9.173 -6.951 -9.312 1.00 0.00 O ATOM 0 H GLU A 34 6.110 -11.203 -7.876 1.00 0.00 H new ATOM 0 HA GLU A 34 6.534 -8.813 -6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.760 -9.897 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.807 -10.055 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.311 -7.293 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.831 -7.944 -6.432 1.00 0.00 H new ATOM 530 N ASP A 35 5.687 -7.672 -8.321 1.00 0.00 N ATOM 531 CA ASP A 35 5.173 -6.960 -9.488 1.00 0.00 C ATOM 532 C ASP A 35 5.922 -5.645 -9.694 1.00 0.00 C ATOM 533 O ASP A 35 5.715 -4.677 -8.963 1.00 0.00 O ATOM 534 CB ASP A 35 3.675 -6.697 -9.334 1.00 0.00 C ATOM 535 CG ASP A 35 3.050 -6.157 -10.605 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.683 -5.306 -11.263 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.926 -6.586 -10.942 1.00 0.00 O ATOM 0 H ASP A 35 5.424 -7.259 -7.426 1.00 0.00 H new ATOM 0 HA ASP A 35 5.331 -7.586 -10.366 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.174 -7.622 -9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.515 -5.986 -8.523 1.00 0.00 H new ATOM 542 N TYR A 36 6.800 -5.630 -10.691 1.00 0.00 N ATOM 543 CA TYR A 36 7.603 -4.449 -11.001 1.00 0.00 C ATOM 544 C TYR A 36 6.741 -3.262 -11.432 1.00 0.00 C ATOM 545 O TYR A 36 7.124 -2.110 -11.232 1.00 0.00 O ATOM 546 CB TYR A 36 8.614 -4.776 -12.101 1.00 0.00 C ATOM 547 CG TYR A 36 9.777 -3.811 -12.162 1.00 0.00 C ATOM 548 CD1 TYR A 36 10.450 -3.432 -11.006 1.00 0.00 C ATOM 549 CD2 TYR A 36 10.202 -3.278 -13.373 1.00 0.00 C ATOM 550 CE1 TYR A 36 11.513 -2.550 -11.058 1.00 0.00 C ATOM 551 CE2 TYR A 36 11.264 -2.397 -13.431 1.00 0.00 C ATOM 552 CZ TYR A 36 11.916 -2.035 -12.271 1.00 0.00 C ATOM 553 OH TYR A 36 12.974 -1.157 -12.326 1.00 0.00 O ATOM 0 H TYR A 36 6.975 -6.427 -11.303 1.00 0.00 H new ATOM 0 HA TYR A 36 8.126 -4.165 -10.088 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.997 -5.784 -11.942 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.103 -4.777 -13.064 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.138 -3.833 -10.053 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.693 -3.557 -14.284 1.00 0.00 H new ATOM 0 HE1 TYR A 36 12.026 -2.265 -10.151 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.582 -1.993 -14.381 1.00 0.00 H new ATOM 0 HH TYR A 36 13.129 -0.890 -13.256 1.00 0.00 H new ATOM 563 N ASN A 37 5.590 -3.541 -12.034 1.00 0.00 N ATOM 564 CA ASN A 37 4.704 -2.489 -12.498 1.00 0.00 C ATOM 565 C ASN A 37 4.216 -1.639 -11.337 1.00 0.00 C ATOM 566 O ASN A 37 3.939 -0.456 -11.507 1.00 0.00 O ATOM 567 CB ASN A 37 3.510 -3.090 -13.244 1.00 0.00 C ATOM 568 CG ASN A 37 3.936 -4.054 -14.333 1.00 0.00 C ATOM 569 OD1 ASN A 37 5.121 -4.172 -14.646 1.00 0.00 O ATOM 570 ND2 ASN A 37 2.969 -4.750 -14.918 1.00 0.00 N ATOM 0 H ASN A 37 5.252 -4.487 -12.210 1.00 0.00 H new ATOM 0 HA ASN A 37 5.265 -1.851 -13.180 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.866 -3.609 -12.535 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.918 -2.287 -13.684 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.195 -5.414 -15.658 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.000 -4.621 -14.627 1.00 0.00 H new ATOM 577 N ARG A 38 4.102 -2.249 -10.160 1.00 0.00 N ATOM 578 CA ARG A 38 3.634 -1.537 -8.974 1.00 0.00 C ATOM 579 C ARG A 38 4.729 -1.410 -7.916 1.00 0.00 C ATOM 580 O ARG A 38 4.523 -0.780 -6.878 1.00 0.00 O ATOM 581 CB ARG A 38 2.418 -2.245 -8.380 1.00 0.00 C ATOM 582 CG ARG A 38 2.635 -3.729 -8.143 1.00 0.00 C ATOM 583 CD ARG A 38 1.428 -4.364 -7.476 1.00 0.00 C ATOM 584 NE ARG A 38 1.143 -3.758 -6.178 1.00 0.00 N ATOM 585 CZ ARG A 38 -0.036 -3.834 -5.566 1.00 0.00 C ATOM 586 NH1 ARG A 38 -1.045 -4.487 -6.131 1.00 0.00 N ATOM 587 NH2 ARG A 38 -0.207 -3.256 -4.385 1.00 0.00 N ATOM 0 H ARG A 38 4.326 -3.231 -10.002 1.00 0.00 H new ATOM 0 HA ARG A 38 3.355 -0.531 -9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.156 -1.769 -7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.568 -2.113 -9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.832 -4.226 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.517 -3.875 -7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.558 -4.260 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.604 -5.432 -7.348 1.00 0.00 H new ATOM 0 HE ARG A 38 1.893 -3.246 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.919 -4.934 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.946 -4.542 -5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.565 -2.754 -3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.110 -3.314 -3.915 1.00 0.00 H new ATOM 601 N ASP A 39 5.890 -2.004 -8.177 1.00 0.00 N ATOM 602 CA ASP A 39 7.001 -1.941 -7.235 1.00 0.00 C ATOM 603 C ASP A 39 6.617 -2.568 -5.897 1.00 0.00 C ATOM 604 O ASP A 39 6.876 -2.001 -4.835 1.00 0.00 O ATOM 605 CB ASP A 39 7.432 -0.486 -7.029 1.00 0.00 C ATOM 606 CG ASP A 39 8.324 0.015 -8.147 1.00 0.00 C ATOM 607 OD1 ASP A 39 8.240 -0.533 -9.265 1.00 0.00 O ATOM 608 OD2 ASP A 39 9.107 0.959 -7.903 1.00 0.00 O ATOM 0 H ASP A 39 6.085 -2.531 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 39 7.835 -2.506 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.547 0.147 -6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.959 -0.397 -6.079 1.00 0.00 H new ATOM 613 N LEU A 40 5.997 -3.742 -5.957 1.00 0.00 N ATOM 614 CA LEU A 40 5.574 -4.448 -4.752 1.00 0.00 C ATOM 615 C LEU A 40 5.935 -5.929 -4.838 1.00 0.00 C ATOM 616 O LEU A 40 6.037 -6.489 -5.929 1.00 0.00 O ATOM 617 CB LEU A 40 4.065 -4.287 -4.548 1.00 0.00 C ATOM 618 CG LEU A 40 3.502 -4.945 -3.287 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.895 -4.151 -2.051 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.987 -5.071 -3.381 1.00 0.00 C ATOM 0 H LEU A 40 5.776 -4.225 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 40 6.097 -4.014 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.831 -3.223 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.551 -4.703 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 40 3.926 -5.946 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.486 -4.634 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.982 -4.111 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.500 -3.138 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.604 -5.541 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.546 -4.080 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.726 -5.682 -4.245 1.00 0.00 H new ATOM 632 N LEU A 41 6.123 -6.559 -3.682 1.00 0.00 N ATOM 633 CA LEU A 41 6.466 -7.980 -3.635 1.00 0.00 C ATOM 634 C LEU A 41 5.981 -8.635 -2.347 1.00 0.00 C ATOM 635 O LEU A 41 5.787 -7.970 -1.331 1.00 0.00 O ATOM 636 CB LEU A 41 7.983 -8.206 -3.823 1.00 0.00 C ATOM 637 CG LEU A 41 8.950 -7.642 -2.752 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.836 -6.570 -3.361 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.228 -7.088 -1.533 1.00 0.00 C ATOM 0 H LEU A 41 6.045 -6.112 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 41 5.949 -8.457 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.153 -9.281 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.266 -7.777 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 41 9.560 -8.477 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.512 -6.181 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.418 -6.999 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.216 -5.760 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.959 -6.708 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.565 -6.279 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.642 -7.880 -1.066 1.00 0.00 H new ATOM 651 N VAL A 42 5.785 -9.947 -2.399 1.00 0.00 N ATOM 652 CA VAL A 42 5.334 -10.695 -1.238 1.00 0.00 C ATOM 653 C VAL A 42 6.397 -11.695 -0.822 1.00 0.00 C ATOM 654 O VAL A 42 6.939 -12.421 -1.655 1.00 0.00 O ATOM 655 CB VAL A 42 3.993 -11.438 -1.501 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.711 -12.505 -0.439 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.838 -10.448 -1.562 1.00 0.00 C ATOM 0 H VAL A 42 5.932 -10.513 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 42 5.162 -9.977 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 42 4.087 -11.942 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.765 -12.999 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.514 -13.242 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.653 -12.035 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.908 -10.985 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.766 -9.914 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.012 -9.735 -2.368 1.00 0.00 H new ATOM 667 N SER A 43 6.679 -11.724 0.473 1.00 0.00 N ATOM 668 CA SER A 43 7.668 -12.633 1.029 1.00 0.00 C ATOM 669 C SER A 43 7.043 -13.449 2.151 1.00 0.00 C ATOM 670 O SER A 43 6.041 -13.040 2.739 1.00 0.00 O ATOM 671 CB SER A 43 8.873 -11.852 1.553 1.00 0.00 C ATOM 672 OG SER A 43 9.626 -12.626 2.471 1.00 0.00 O ATOM 0 H SER A 43 6.231 -11.121 1.163 1.00 0.00 H new ATOM 0 HA SER A 43 8.009 -13.308 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.508 -11.554 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.534 -10.937 2.038 1.00 0.00 H new ATOM 0 HG SER A 43 9.884 -13.473 2.050 1.00 0.00 H new ATOM 678 N THR A 44 7.623 -14.604 2.439 1.00 0.00 N ATOM 679 CA THR A 44 7.093 -15.465 3.485 1.00 0.00 C ATOM 680 C THR A 44 7.843 -15.278 4.796 1.00 0.00 C ATOM 681 O THR A 44 9.052 -15.042 4.809 1.00 0.00 O ATOM 682 CB THR A 44 7.139 -16.920 3.036 1.00 0.00 C ATOM 683 OG1 THR A 44 8.468 -17.409 3.028 1.00 0.00 O ATOM 684 CG2 THR A 44 6.564 -17.105 1.655 1.00 0.00 C ATOM 0 H THR A 44 8.453 -14.964 1.968 1.00 0.00 H new ATOM 0 HA THR A 44 6.055 -15.184 3.663 1.00 0.00 H new ATOM 0 HB THR A 44 6.536 -17.477 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.470 -18.345 2.738 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.618 -18.157 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.524 -16.780 1.648 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.134 -16.511 0.941 1.00 0.00 H new ATOM 692 N THR A 45 7.107 -15.372 5.895 1.00 0.00 N ATOM 693 CA THR A 45 7.678 -15.199 7.223 1.00 0.00 C ATOM 694 C THR A 45 7.179 -16.281 8.177 1.00 0.00 C ATOM 695 O THR A 45 6.283 -17.054 7.842 1.00 0.00 O ATOM 696 CB THR A 45 7.321 -13.812 7.765 1.00 0.00 C ATOM 697 OG1 THR A 45 7.436 -13.775 9.177 1.00 0.00 O ATOM 698 CG2 THR A 45 5.915 -13.368 7.407 1.00 0.00 C ATOM 0 H THR A 45 6.106 -15.569 5.892 1.00 0.00 H new ATOM 0 HA THR A 45 8.762 -15.288 7.147 1.00 0.00 H new ATOM 0 HB THR A 45 8.031 -13.132 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.205 -12.879 9.501 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.729 -12.378 7.823 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.810 -13.332 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.194 -14.075 7.818 1.00 0.00 H new ATOM 706 N THR A 46 7.769 -16.329 9.368 1.00 0.00 N ATOM 707 CA THR A 46 7.386 -17.314 10.374 1.00 0.00 C ATOM 708 C THR A 46 6.790 -16.633 11.603 1.00 0.00 C ATOM 709 O THR A 46 7.255 -16.834 12.725 1.00 0.00 O ATOM 710 CB THR A 46 8.597 -18.156 10.776 1.00 0.00 C ATOM 711 OG1 THR A 46 9.391 -18.466 9.644 1.00 0.00 O ATOM 712 CG2 THR A 46 8.223 -19.461 11.447 1.00 0.00 C ATOM 0 H THR A 46 8.514 -15.697 9.660 1.00 0.00 H new ATOM 0 HA THR A 46 6.627 -17.966 9.941 1.00 0.00 H new ATOM 0 HB THR A 46 9.149 -17.545 11.490 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.162 -19.004 9.922 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.129 -20.009 11.706 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.652 -19.254 12.352 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.619 -20.060 10.766 1.00 0.00 H new ATOM 720 N ALA A 47 5.756 -15.826 11.383 1.00 0.00 N ATOM 721 CA ALA A 47 5.096 -15.116 12.472 1.00 0.00 C ATOM 722 C ALA A 47 3.580 -15.238 12.369 1.00 0.00 C ATOM 723 O ALA A 47 3.062 -15.946 11.506 1.00 0.00 O ATOM 724 CB ALA A 47 5.513 -13.652 12.474 1.00 0.00 C ATOM 0 H ALA A 47 5.358 -15.648 10.461 1.00 0.00 H new ATOM 0 HA ALA A 47 5.406 -15.572 13.412 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.013 -13.133 13.292 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.593 -13.581 12.605 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.232 -13.192 11.527 1.00 0.00 H new ATOM 730 N HIS A 48 2.873 -14.543 13.256 1.00 0.00 N ATOM 731 CA HIS A 48 1.416 -14.574 13.265 1.00 0.00 C ATOM 732 C HIS A 48 0.838 -13.345 12.569 1.00 0.00 C ATOM 733 O HIS A 48 1.427 -12.265 12.605 1.00 0.00 O ATOM 734 CB HIS A 48 0.896 -14.655 14.703 1.00 0.00 C ATOM 735 CG HIS A 48 -0.073 -15.775 14.926 1.00 0.00 C ATOM 736 ND1 HIS A 48 0.318 -17.084 15.112 1.00 0.00 N ATOM 737 CD2 HIS A 48 -1.427 -15.775 14.995 1.00 0.00 C ATOM 738 CE1 HIS A 48 -0.751 -17.842 15.284 1.00 0.00 C ATOM 739 NE2 HIS A 48 -1.821 -17.072 15.217 1.00 0.00 N ATOM 0 H HIS A 48 3.287 -13.952 13.977 1.00 0.00 H new ATOM 0 HA HIS A 48 1.094 -15.460 12.719 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.741 -14.776 15.380 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.414 -13.712 14.960 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.074 -14.916 14.894 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.749 -18.909 15.451 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.786 -17.389 15.314 1.00 0.00 H new ATOM 748 N GLY A 49 -0.318 -13.520 11.936 1.00 0.00 N ATOM 749 CA GLY A 49 -0.956 -12.418 11.240 1.00 0.00 C ATOM 750 C GLY A 49 -1.450 -11.339 12.184 1.00 0.00 C ATOM 751 O GLY A 49 -1.453 -11.524 13.402 1.00 0.00 O ATOM 0 H GLY A 49 -0.824 -14.405 11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.250 -11.982 10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.795 -12.798 10.658 1.00 0.00 H new ATOM 755 N CYS A 50 -1.868 -10.210 11.621 1.00 0.00 N ATOM 756 CA CYS A 50 -2.367 -9.095 12.418 1.00 0.00 C ATOM 757 C CYS A 50 -3.422 -8.308 11.648 1.00 0.00 C ATOM 758 O CYS A 50 -4.569 -8.202 12.080 1.00 0.00 O ATOM 759 CB CYS A 50 -1.215 -8.172 12.821 1.00 0.00 C ATOM 760 SG CYS A 50 -0.498 -8.547 14.438 1.00 0.00 S ATOM 0 H CYS A 50 -1.871 -10.043 10.615 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.828 -9.501 13.319 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.432 -8.235 12.065 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.573 -7.142 12.824 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.588 -9.824 14.667 1.00 0.00 H new ATOM 766 N ASP A 51 -3.025 -7.757 10.505 1.00 0.00 N ATOM 767 CA ASP A 51 -3.938 -6.980 9.674 1.00 0.00 C ATOM 768 C ASP A 51 -4.763 -7.893 8.772 1.00 0.00 C ATOM 769 O ASP A 51 -4.311 -8.971 8.382 1.00 0.00 O ATOM 770 CB ASP A 51 -3.159 -5.975 8.826 1.00 0.00 C ATOM 771 CG ASP A 51 -2.575 -4.849 9.657 1.00 0.00 C ATOM 772 OD1 ASP A 51 -2.280 -5.080 10.848 1.00 0.00 O ATOM 773 OD2 ASP A 51 -2.411 -3.735 9.115 1.00 0.00 O ATOM 0 H ASP A 51 -2.078 -7.834 10.134 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.618 -6.439 10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.355 -6.492 8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.818 -5.557 8.065 1.00 0.00 H new ATOM 778 N THR A 52 -5.974 -7.456 8.444 1.00 0.00 N ATOM 779 CA THR A 52 -6.863 -8.232 7.586 1.00 0.00 C ATOM 780 C THR A 52 -7.266 -7.432 6.353 1.00 0.00 C ATOM 781 O THR A 52 -7.880 -6.371 6.463 1.00 0.00 O ATOM 782 CB THR A 52 -8.110 -8.657 8.362 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.757 -9.402 9.514 1.00 0.00 O ATOM 784 CG2 THR A 52 -9.066 -9.501 7.546 1.00 0.00 C ATOM 0 H THR A 52 -6.363 -6.568 8.760 1.00 0.00 H new ATOM 0 HA THR A 52 -6.325 -9.122 7.259 1.00 0.00 H new ATOM 0 HB THR A 52 -8.610 -7.727 8.631 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.569 -9.663 9.997 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.928 -9.768 8.157 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.399 -8.935 6.676 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.560 -10.409 7.217 1.00 0.00 H new ATOM 792 N ILE A 53 -6.920 -7.949 5.178 1.00 0.00 N ATOM 793 CA ILE A 53 -7.251 -7.280 3.924 1.00 0.00 C ATOM 794 C ILE A 53 -8.720 -7.475 3.580 1.00 0.00 C ATOM 795 O ILE A 53 -9.273 -8.560 3.767 1.00 0.00 O ATOM 796 CB ILE A 53 -6.407 -7.792 2.736 1.00 0.00 C ATOM 797 CG1 ILE A 53 -5.011 -8.255 3.195 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.318 -6.716 1.661 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.849 -7.632 2.440 1.00 0.00 C ATOM 0 H ILE A 53 -6.412 -8.827 5.068 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.030 -6.224 4.080 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.902 -8.664 2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.900 -8.028 4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.952 -9.339 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.721 -7.084 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.320 -6.469 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.849 -5.824 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.909 -8.019 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.928 -7.880 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.875 -6.549 2.562 1.00 0.00 H new ATOM 811 N ALA A 54 -9.350 -6.422 3.079 1.00 0.00 N ATOM 812 CA ALA A 54 -10.755 -6.482 2.712 1.00 0.00 C ATOM 813 C ALA A 54 -10.932 -6.892 1.255 1.00 0.00 C ATOM 814 O ALA A 54 -10.247 -6.381 0.368 1.00 0.00 O ATOM 815 CB ALA A 54 -11.420 -5.138 2.960 1.00 0.00 C ATOM 0 H ALA A 54 -8.909 -5.516 2.918 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.231 -7.239 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.472 -5.196 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.338 -4.881 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.927 -4.372 2.361 1.00 0.00 H new ATOM 821 N ARG A 55 -11.871 -7.800 1.014 1.00 0.00 N ATOM 822 CA ARG A 55 -12.159 -8.262 -0.338 1.00 0.00 C ATOM 823 C ARG A 55 -13.305 -7.450 -0.935 1.00 0.00 C ATOM 824 O ARG A 55 -14.044 -7.932 -1.794 1.00 0.00 O ATOM 825 CB ARG A 55 -12.518 -9.750 -0.325 1.00 0.00 C ATOM 826 CG ARG A 55 -12.236 -10.455 -1.642 1.00 0.00 C ATOM 827 CD ARG A 55 -13.243 -11.563 -1.909 1.00 0.00 C ATOM 828 NE ARG A 55 -12.626 -12.721 -2.552 1.00 0.00 N ATOM 829 CZ ARG A 55 -13.312 -13.736 -3.069 1.00 0.00 C ATOM 830 NH1 ARG A 55 -14.639 -13.742 -3.022 1.00 0.00 N ATOM 831 NH2 ARG A 55 -12.671 -14.750 -3.635 1.00 0.00 N ATOM 0 H ARG A 55 -12.446 -8.231 1.738 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.270 -8.123 -0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.958 -10.244 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.575 -9.858 -0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.265 -9.731 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.230 -10.873 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.700 -11.871 -0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.043 -11.180 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.608 -12.753 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.137 -12.965 -2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.160 -14.523 -3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.652 -14.751 -3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.197 -15.529 -4.032 1.00 0.00 H new ATOM 845 N CYS A 56 -13.446 -6.215 -0.461 1.00 0.00 N ATOM 846 CA CYS A 56 -14.497 -5.320 -0.923 1.00 0.00 C ATOM 847 C CYS A 56 -13.963 -4.325 -1.947 1.00 0.00 C ATOM 848 O CYS A 56 -12.752 -4.182 -2.116 1.00 0.00 O ATOM 849 CB CYS A 56 -15.093 -4.565 0.264 1.00 0.00 C ATOM 850 SG CYS A 56 -13.870 -3.615 1.226 1.00 0.00 S ATOM 0 H CYS A 56 -12.837 -5.810 0.250 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.269 -5.922 -1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.862 -3.884 -0.100 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.586 -5.278 0.925 1.00 0.00 H new ATOM 0 HG CYS A 56 -14.467 -3.009 2.209 1.00 0.00 H new ATOM 855 N GLN A 57 -14.876 -3.638 -2.626 1.00 0.00 N ATOM 856 CA GLN A 57 -14.498 -2.652 -3.632 1.00 0.00 C ATOM 857 C GLN A 57 -15.087 -1.282 -3.305 1.00 0.00 C ATOM 858 O GLN A 57 -15.396 -0.502 -4.206 1.00 0.00 O ATOM 859 CB GLN A 57 -14.966 -3.105 -5.017 1.00 0.00 C ATOM 860 CG GLN A 57 -14.198 -2.459 -6.159 1.00 0.00 C ATOM 861 CD GLN A 57 -15.110 -1.914 -7.240 1.00 0.00 C ATOM 862 OE1 GLN A 57 -15.571 -0.774 -7.163 1.00 0.00 O ATOM 863 NE2 GLN A 57 -15.375 -2.727 -8.256 1.00 0.00 N ATOM 0 H GLN A 57 -15.882 -3.746 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.411 -2.567 -3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -14.866 -4.188 -5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.026 -2.875 -5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.582 -1.650 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.520 -3.192 -6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.971 -3.663 -8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.982 -2.415 -9.014 1.00 0.00 H new ATOM 872 N CYS A 58 -15.238 -0.992 -2.014 1.00 0.00 N ATOM 873 CA CYS A 58 -15.787 0.289 -1.582 1.00 0.00 C ATOM 874 C CYS A 58 -14.942 1.445 -2.106 1.00 0.00 C ATOM 875 O CYS A 58 -13.717 1.432 -1.988 1.00 0.00 O ATOM 876 CB CYS A 58 -15.860 0.363 -0.054 1.00 0.00 C ATOM 877 SG CYS A 58 -16.573 -1.112 0.743 1.00 0.00 S ATOM 0 H CYS A 58 -14.989 -1.624 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.794 0.371 -1.990 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.855 0.521 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.452 1.234 0.227 1.00 0.00 H new ATOM 0 HG CYS A 58 -15.638 -1.994 0.939 1.00 0.00 H new ATOM 882 N THR A 59 -15.601 2.444 -2.680 1.00 0.00 N ATOM 883 CA THR A 59 -14.904 3.609 -3.215 1.00 0.00 C ATOM 884 C THR A 59 -14.429 4.530 -2.092 1.00 0.00 C ATOM 885 O THR A 59 -13.694 5.487 -2.338 1.00 0.00 O ATOM 886 CB THR A 59 -15.811 4.383 -4.172 1.00 0.00 C ATOM 887 OG1 THR A 59 -15.256 5.651 -4.473 1.00 0.00 O ATOM 888 CG2 THR A 59 -17.205 4.610 -3.629 1.00 0.00 C ATOM 0 H THR A 59 -16.615 2.472 -2.787 1.00 0.00 H new ATOM 0 HA THR A 59 -14.031 3.252 -3.761 1.00 0.00 H new ATOM 0 HB THR A 59 -15.885 3.761 -5.064 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.395 5.748 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.794 5.165 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.680 3.649 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 59 -17.146 5.180 -2.702 1.00 0.00 H new ATOM 896 N THR A 60 -14.851 4.241 -0.863 1.00 0.00 N ATOM 897 CA THR A 60 -14.465 5.051 0.287 1.00 0.00 C ATOM 898 C THR A 60 -13.468 4.308 1.171 1.00 0.00 C ATOM 899 O THR A 60 -13.712 3.174 1.584 1.00 0.00 O ATOM 900 CB THR A 60 -15.699 5.432 1.105 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.157 4.328 1.866 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.856 5.916 0.258 1.00 0.00 C ATOM 0 H THR A 60 -15.459 3.453 -0.639 1.00 0.00 H new ATOM 0 HA THR A 60 -13.987 5.957 -0.086 1.00 0.00 H new ATOM 0 HB THR A 60 -15.375 6.250 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.478 3.621 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.698 6.169 0.902 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.551 6.799 -0.304 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.154 5.129 -0.435 1.00 0.00 H new ATOM 910 N GLY A 61 -12.345 4.957 1.457 1.00 0.00 N ATOM 911 CA GLY A 61 -11.325 4.351 2.294 1.00 0.00 C ATOM 912 C GLY A 61 -10.547 5.382 3.085 1.00 0.00 C ATOM 913 O GLY A 61 -10.328 6.497 2.613 1.00 0.00 O ATOM 0 H GLY A 61 -12.122 5.895 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.793 3.646 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.638 3.780 1.670 1.00 0.00 H new ATOM 917 N VAL A 62 -10.127 5.016 4.291 1.00 0.00 N ATOM 918 CA VAL A 62 -9.372 5.931 5.140 1.00 0.00 C ATOM 919 C VAL A 62 -7.889 5.576 5.152 1.00 0.00 C ATOM 920 O VAL A 62 -7.512 4.443 5.451 1.00 0.00 O ATOM 921 CB VAL A 62 -9.910 5.931 6.585 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.799 4.545 7.202 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.176 6.961 7.431 1.00 0.00 C ATOM 0 H VAL A 62 -10.295 4.097 4.701 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.495 6.929 4.719 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.965 6.204 6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.184 4.569 8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.379 3.836 6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.754 4.236 7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.570 6.945 8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.112 6.724 7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.319 7.953 7.002 1.00 0.00 H new ATOM 933 N TYR A 63 -7.051 6.556 4.823 1.00 0.00 N ATOM 934 CA TYR A 63 -5.608 6.351 4.796 1.00 0.00 C ATOM 935 C TYR A 63 -4.937 7.066 5.966 1.00 0.00 C ATOM 936 O TYR A 63 -5.535 7.936 6.599 1.00 0.00 O ATOM 937 CB TYR A 63 -5.024 6.844 3.466 1.00 0.00 C ATOM 938 CG TYR A 63 -4.988 8.352 3.326 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.043 9.109 4.007 1.00 0.00 C ATOM 940 CD2 TYR A 63 -5.896 9.018 2.508 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.003 10.484 3.881 1.00 0.00 C ATOM 942 CE2 TYR A 63 -5.861 10.393 2.378 1.00 0.00 C ATOM 943 CZ TYR A 63 -4.914 11.121 3.065 1.00 0.00 C ATOM 944 OH TYR A 63 -4.877 12.490 2.938 1.00 0.00 O ATOM 0 H TYR A 63 -7.348 7.499 4.572 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.413 5.283 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.011 6.456 3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.611 6.428 2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.327 8.614 4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.639 8.451 1.967 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.262 11.057 4.419 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.573 10.895 1.740 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.585 12.781 2.326 1.00 0.00 H new ATOM 954 N PHE A 64 -3.695 6.691 6.251 1.00 0.00 N ATOM 955 CA PHE A 64 -2.946 7.296 7.346 1.00 0.00 C ATOM 956 C PHE A 64 -2.157 8.509 6.860 1.00 0.00 C ATOM 957 O PHE A 64 -1.414 8.426 5.881 1.00 0.00 O ATOM 958 CB PHE A 64 -2.000 6.271 7.975 1.00 0.00 C ATOM 959 CG PHE A 64 -2.045 6.256 9.476 1.00 0.00 C ATOM 960 CD1 PHE A 64 -1.249 7.117 10.215 1.00 0.00 C ATOM 961 CD2 PHE A 64 -2.883 5.382 10.149 1.00 0.00 C ATOM 962 CE1 PHE A 64 -1.288 7.106 11.597 1.00 0.00 C ATOM 963 CE2 PHE A 64 -2.927 5.365 11.530 1.00 0.00 C ATOM 964 CZ PHE A 64 -2.129 6.229 12.254 1.00 0.00 C ATOM 0 H PHE A 64 -3.186 5.971 5.739 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.659 7.629 8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.253 5.278 7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.981 6.483 7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.590 7.805 9.705 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.510 4.705 9.587 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.662 7.782 12.162 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.584 4.678 12.042 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.163 6.219 13.333 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.142 9.808 11.114 1.00 0.00 N ATOM 1062 CA HIS A 71 -6.802 9.046 10.063 1.00 0.00 C ATOM 1063 C HIS A 71 -7.687 9.964 9.227 1.00 0.00 C ATOM 1064 O HIS A 71 -8.409 10.803 9.766 1.00 0.00 O ATOM 1065 CB HIS A 71 -7.638 7.920 10.673 1.00 0.00 C ATOM 1066 CG HIS A 71 -8.674 8.402 11.641 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -9.996 8.588 11.298 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -8.575 8.735 12.950 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -10.667 9.016 12.352 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -9.828 9.113 13.367 1.00 0.00 N ATOM 0 HA HIS A 71 -6.042 8.607 9.417 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.130 7.368 9.872 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.975 7.220 11.181 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.679 8.708 13.553 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.722 9.247 12.379 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.071 9.419 14.309 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.614 9.817 7.908 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.398 10.652 7.006 1.00 0.00 C ATOM 1081 C TYR A 72 -9.230 9.810 6.039 1.00 0.00 C ATOM 1082 O TYR A 72 -8.678 9.127 5.175 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.463 11.564 6.203 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.452 13.005 6.663 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.975 13.349 7.922 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.910 14.021 5.833 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -6.957 14.667 8.341 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.896 15.340 6.246 1.00 0.00 C ATOM 1089 CZ TYR A 72 -7.418 15.657 7.500 1.00 0.00 C ATOM 1090 OH TYR A 72 -7.401 16.970 7.913 1.00 0.00 O ATOM 0 H TYR A 72 -7.022 9.130 7.442 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.079 11.249 7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.449 11.168 6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.756 11.532 5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.613 12.576 8.583 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.283 13.776 4.849 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.584 14.919 9.322 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.257 16.118 5.590 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.759 17.541 7.202 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.571 9.864 6.144 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.459 9.123 5.249 1.00 0.00 C ATOM 1102 C PRO A 73 -11.471 9.757 3.865 1.00 0.00 C ATOM 1103 O PRO A 73 -11.796 10.937 3.721 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.843 9.239 5.910 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.603 9.868 7.246 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.333 10.657 7.114 1.00 0.00 C ATOM 0 HA PRO A 73 -11.147 8.088 5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.515 9.848 5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.309 8.259 6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.435 10.513 7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.511 9.109 8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.519 11.669 6.755 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.810 10.747 8.066 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.090 8.991 2.850 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.036 9.519 1.494 1.00 0.00 C ATOM 1116 C VAL A 74 -11.591 8.539 0.464 1.00 0.00 C ATOM 1117 O VAL A 74 -11.363 7.333 0.543 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.583 9.876 1.111 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.489 10.310 -0.341 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.040 10.961 2.026 1.00 0.00 C ATOM 0 H VAL A 74 -10.817 8.012 2.939 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.660 10.413 1.484 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.975 8.980 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.454 10.555 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.829 9.500 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.116 11.187 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.015 11.199 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.658 11.855 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.057 10.609 3.057 1.00 0.00 H new ATOM 1130 N SER A 75 -12.293 9.085 -0.526 1.00 0.00 N ATOM 1131 CA SER A 75 -12.855 8.286 -1.606 1.00 0.00 C ATOM 1132 C SER A 75 -11.914 8.339 -2.802 1.00 0.00 C ATOM 1133 O SER A 75 -11.403 9.405 -3.146 1.00 0.00 O ATOM 1134 CB SER A 75 -14.243 8.803 -1.996 1.00 0.00 C ATOM 1135 OG SER A 75 -14.519 10.048 -1.376 1.00 0.00 O ATOM 0 H SER A 75 -12.486 10.084 -0.600 1.00 0.00 H new ATOM 0 HA SER A 75 -12.964 7.254 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.302 8.912 -3.079 1.00 0.00 H new ATOM 0 HB3 SER A 75 -15.000 8.074 -1.707 1.00 0.00 H new ATOM 0 HG SER A 75 -15.410 10.356 -1.643 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.655 7.193 -3.419 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.737 7.147 -4.551 1.00 0.00 C ATOM 1143 C PHE A 76 -11.201 6.176 -5.630 1.00 0.00 C ATOM 1144 O PHE A 76 -12.157 5.422 -5.446 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.329 6.752 -4.078 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.268 6.321 -2.637 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.027 5.252 -2.189 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.458 6.989 -1.733 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -9.981 4.858 -0.866 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.407 6.599 -0.409 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.169 5.533 0.025 1.00 0.00 C ATOM 0 H PHE A 76 -12.061 6.294 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.716 8.146 -4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.960 5.941 -4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.657 7.598 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.662 4.721 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.860 7.824 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.579 4.024 -0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.772 7.128 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.131 5.227 1.060 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.489 6.200 -6.751 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.775 5.328 -7.880 1.00 0.00 C ATOM 1163 C GLU A 77 -9.644 4.321 -8.036 1.00 0.00 C ATOM 1164 O GLU A 77 -8.545 4.546 -7.534 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.939 6.144 -9.163 1.00 0.00 C ATOM 1166 CG GLU A 77 -12.222 6.957 -9.207 1.00 0.00 C ATOM 1167 CD GLU A 77 -12.010 8.351 -9.766 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -11.066 8.534 -10.562 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -12.789 9.258 -9.407 1.00 0.00 O ATOM 0 H GLU A 77 -9.697 6.825 -6.901 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.710 4.799 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.088 6.817 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.917 5.469 -10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.959 6.433 -9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.635 7.032 -8.201 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.920 3.206 -8.707 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.902 2.184 -8.884 1.00 0.00 C ATOM 1178 C GLY A 78 -8.292 2.162 -10.278 1.00 0.00 C ATOM 1179 O GLY A 78 -8.498 1.208 -11.028 1.00 0.00 O ATOM 0 H GLY A 78 -10.824 2.992 -9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.109 2.343 -8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.339 1.208 -8.673 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.516 3.197 -10.655 1.00 0.00 N ATOM 1184 CA PRO A 79 -6.872 3.259 -11.969 1.00 0.00 C ATOM 1185 C PRO A 79 -5.784 2.201 -12.128 1.00 0.00 C ATOM 1186 O PRO A 79 -5.013 1.938 -11.200 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.253 4.660 -12.008 1.00 0.00 C ATOM 1188 CG PRO A 79 -6.094 5.053 -10.581 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.206 4.375 -9.831 1.00 0.00 C ATOM 0 HA PRO A 79 -7.582 3.072 -12.774 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.293 4.653 -12.524 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.896 5.361 -12.541 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.121 4.743 -10.198 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.151 6.135 -10.467 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.895 4.090 -8.826 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.072 5.028 -9.724 1.00 0.00 H new ATOM 1197 N GLY A 80 -5.731 1.594 -13.309 1.00 0.00 N ATOM 1198 CA GLY A 80 -4.740 0.570 -13.575 1.00 0.00 C ATOM 1199 C GLY A 80 -3.321 1.059 -13.359 1.00 0.00 C ATOM 1200 O GLY A 80 -2.793 0.979 -12.251 1.00 0.00 O ATOM 0 H GLY A 80 -6.359 1.794 -14.088 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.927 -0.287 -12.928 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.848 0.224 -14.603 1.00 0.00 H new ATOM 1204 N LEU A 81 -2.702 1.563 -14.420 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.336 2.060 -14.338 1.00 0.00 C ATOM 1206 C LEU A 81 -1.292 3.576 -14.189 1.00 0.00 C ATOM 1207 O LEU A 81 -1.809 4.310 -15.032 1.00 0.00 O ATOM 1208 CB LEU A 81 -0.541 1.647 -15.571 1.00 0.00 C ATOM 1209 CG LEU A 81 0.945 1.389 -15.315 1.00 0.00 C ATOM 1210 CD1 LEU A 81 1.496 2.352 -14.273 1.00 0.00 C ATOM 1211 CD2 LEU A 81 1.170 -0.052 -14.886 1.00 0.00 C ATOM 0 H LEU A 81 -3.124 1.638 -15.345 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.887 1.617 -13.449 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.986 0.744 -15.988 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.636 2.427 -16.326 1.00 0.00 H new ATOM 0 HG LEU A 81 1.483 1.560 -16.247 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.554 2.146 -14.111 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.376 3.377 -14.625 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.954 2.224 -13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.233 -0.217 -14.708 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.614 -0.250 -13.970 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.825 -0.724 -15.672 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.654 4.036 -13.118 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.517 5.463 -12.861 1.00 0.00 C ATOM 1225 C VAL A 82 0.957 5.851 -12.825 1.00 0.00 C ATOM 1226 O VAL A 82 1.747 5.258 -12.090 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.195 5.874 -11.535 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.002 7.362 -11.266 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.676 5.523 -11.570 1.00 0.00 C ATOM 0 H VAL A 82 -0.223 3.438 -12.413 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.016 5.992 -13.673 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.725 5.321 -10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.488 7.628 -10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.063 7.585 -11.199 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.443 7.939 -12.079 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.142 5.818 -10.630 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.156 6.051 -12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.792 4.448 -11.711 1.00 0.00 H new ATOM 1239 N GLU A 83 1.324 6.842 -13.631 1.00 0.00 N ATOM 1240 CA GLU A 83 2.707 7.297 -13.695 1.00 0.00 C ATOM 1241 C GLU A 83 3.079 8.066 -12.434 1.00 0.00 C ATOM 1242 O GLU A 83 2.630 9.193 -12.225 1.00 0.00 O ATOM 1243 CB GLU A 83 2.922 8.177 -14.927 1.00 0.00 C ATOM 1244 CG GLU A 83 4.380 8.517 -15.185 1.00 0.00 C ATOM 1245 CD GLU A 83 4.724 9.943 -14.797 1.00 0.00 C ATOM 1246 OE1 GLU A 83 4.044 10.871 -15.282 1.00 0.00 O ATOM 1247 OE2 GLU A 83 5.675 10.130 -14.009 1.00 0.00 O ATOM 0 H GLU A 83 0.684 7.344 -14.247 1.00 0.00 H new ATOM 0 HA GLU A 83 3.351 6.421 -13.771 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.516 7.669 -15.802 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.358 9.102 -14.805 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.014 7.829 -14.626 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.603 8.368 -16.242 1.00 0.00 H new ATOM 1254 N VAL A 84 3.899 7.444 -11.596 1.00 0.00 N ATOM 1255 CA VAL A 84 4.332 8.063 -10.352 1.00 0.00 C ATOM 1256 C VAL A 84 5.367 9.152 -10.612 1.00 0.00 C ATOM 1257 O VAL A 84 6.477 8.872 -11.064 1.00 0.00 O ATOM 1258 CB VAL A 84 4.908 7.005 -9.377 1.00 0.00 C ATOM 1259 CG1 VAL A 84 6.126 7.530 -8.626 1.00 0.00 C ATOM 1260 CG2 VAL A 84 3.838 6.556 -8.398 1.00 0.00 C ATOM 0 H VAL A 84 4.277 6.510 -11.757 1.00 0.00 H new ATOM 0 HA VAL A 84 3.457 8.521 -9.891 1.00 0.00 H new ATOM 0 HB VAL A 84 5.232 6.150 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.499 6.758 -7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.906 7.798 -9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.845 8.410 -8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.255 5.813 -7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.486 7.414 -7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.004 6.118 -8.946 1.00 0.00 H new ATOM 1270 N GLN A 85 4.996 10.390 -10.307 1.00 0.00 N ATOM 1271 CA GLN A 85 5.891 11.525 -10.486 1.00 0.00 C ATOM 1272 C GLN A 85 7.010 11.468 -9.456 1.00 0.00 C ATOM 1273 O GLN A 85 6.817 10.957 -8.352 1.00 0.00 O ATOM 1274 CB GLN A 85 5.125 12.842 -10.354 1.00 0.00 C ATOM 1275 CG GLN A 85 3.817 12.869 -11.130 1.00 0.00 C ATOM 1276 CD GLN A 85 3.961 13.518 -12.493 1.00 0.00 C ATOM 1277 OE1 GLN A 85 3.574 12.943 -13.510 1.00 0.00 O ATOM 1278 NE2 GLN A 85 4.521 14.722 -12.519 1.00 0.00 N ATOM 0 H GLN A 85 4.078 10.633 -9.933 1.00 0.00 H new ATOM 0 HA GLN A 85 6.320 11.475 -11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.916 13.026 -9.300 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.760 13.658 -10.701 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.451 11.850 -11.254 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.067 13.409 -10.552 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.827 15.161 -11.651 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.645 15.208 -13.407 1.00 0.00 H new ATOM 1287 N GLU A 86 8.179 11.986 -9.811 1.00 0.00 N ATOM 1288 CA GLU A 86 9.305 11.971 -8.892 1.00 0.00 C ATOM 1289 C GLU A 86 9.028 12.897 -7.720 1.00 0.00 C ATOM 1290 O GLU A 86 9.164 14.116 -7.827 1.00 0.00 O ATOM 1291 CB GLU A 86 10.589 12.402 -9.606 1.00 0.00 C ATOM 1292 CG GLU A 86 10.423 13.642 -10.469 1.00 0.00 C ATOM 1293 CD GLU A 86 11.751 14.241 -10.891 1.00 0.00 C ATOM 1294 OE1 GLU A 86 12.271 13.842 -11.953 1.00 0.00 O ATOM 1295 OE2 GLU A 86 12.270 15.107 -10.156 1.00 0.00 O ATOM 0 H GLU A 86 8.369 12.416 -10.716 1.00 0.00 H new ATOM 0 HA GLU A 86 9.439 10.954 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.363 12.590 -8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.940 11.580 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.845 13.387 -11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.850 14.389 -9.919 1.00 0.00 H new ATOM 1302 N SER A 87 8.636 12.305 -6.602 1.00 0.00 N ATOM 1303 CA SER A 87 8.332 13.067 -5.401 1.00 0.00 C ATOM 1304 C SER A 87 8.739 12.300 -4.152 1.00 0.00 C ATOM 1305 O SER A 87 8.620 11.075 -4.100 1.00 0.00 O ATOM 1306 CB SER A 87 6.840 13.401 -5.348 1.00 0.00 C ATOM 1307 OG SER A 87 6.085 12.493 -6.130 1.00 0.00 O ATOM 0 H SER A 87 8.521 11.297 -6.502 1.00 0.00 H new ATOM 0 HA SER A 87 8.903 13.995 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.494 13.371 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.679 14.417 -5.708 1.00 0.00 H new ATOM 0 HG SER A 87 5.135 12.728 -6.078 1.00 0.00 H new ATOM 1313 N GLU A 88 9.193 13.025 -3.139 1.00 0.00 N ATOM 1314 CA GLU A 88 9.590 12.415 -1.875 1.00 0.00 C ATOM 1315 C GLU A 88 10.412 11.144 -2.084 1.00 0.00 C ATOM 1316 O GLU A 88 9.854 10.057 -2.222 1.00 0.00 O ATOM 1317 CB GLU A 88 8.342 12.084 -1.054 1.00 0.00 C ATOM 1318 CG GLU A 88 8.481 12.412 0.424 1.00 0.00 C ATOM 1319 CD GLU A 88 7.294 13.186 0.964 1.00 0.00 C ATOM 1320 OE1 GLU A 88 6.860 14.148 0.297 1.00 0.00 O ATOM 1321 OE2 GLU A 88 6.800 12.830 2.055 1.00 0.00 O ATOM 0 H GLU A 88 9.296 14.039 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 88 10.216 13.132 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.493 12.633 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.117 11.023 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.594 11.487 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.390 12.993 0.579 1.00 0.00 H new ATOM 1328 N TYR A 89 11.737 11.291 -2.090 1.00 0.00 N ATOM 1329 CA TYR A 89 12.656 10.159 -2.257 1.00 0.00 C ATOM 1330 C TYR A 89 12.142 9.122 -3.259 1.00 0.00 C ATOM 1331 O TYR A 89 12.456 7.938 -3.143 1.00 0.00 O ATOM 1332 CB TYR A 89 12.884 9.478 -0.905 1.00 0.00 C ATOM 1333 CG TYR A 89 11.598 9.136 -0.182 1.00 0.00 C ATOM 1334 CD1 TYR A 89 10.721 8.188 -0.695 1.00 0.00 C ATOM 1335 CD2 TYR A 89 11.256 9.771 1.005 1.00 0.00 C ATOM 1336 CE1 TYR A 89 9.540 7.883 -0.047 1.00 0.00 C ATOM 1337 CE2 TYR A 89 10.077 9.469 1.661 1.00 0.00 C ATOM 1338 CZ TYR A 89 9.223 8.525 1.131 1.00 0.00 C ATOM 1339 OH TYR A 89 8.048 8.224 1.781 1.00 0.00 O ATOM 0 H TYR A 89 12.204 12.191 -1.980 1.00 0.00 H new ATOM 0 HA TYR A 89 13.589 10.562 -2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.460 8.566 -1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.485 10.132 -0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 89 10.967 7.681 -1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.921 10.512 1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.868 7.145 -0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.826 9.970 2.584 1.00 0.00 H new ATOM 0 HH TYR A 89 7.977 8.764 2.596 1.00 0.00 H new ATOM 1349 N TYR A 90 11.354 9.556 -4.237 1.00 0.00 N ATOM 1350 CA TYR A 90 10.815 8.632 -5.229 1.00 0.00 C ATOM 1351 C TYR A 90 11.021 9.153 -6.652 1.00 0.00 C ATOM 1352 O TYR A 90 10.611 10.268 -6.974 1.00 0.00 O ATOM 1353 CB TYR A 90 9.327 8.388 -4.973 1.00 0.00 C ATOM 1354 CG TYR A 90 8.967 6.927 -4.828 1.00 0.00 C ATOM 1355 CD1 TYR A 90 9.403 6.189 -3.736 1.00 0.00 C ATOM 1356 CD2 TYR A 90 8.193 6.285 -5.785 1.00 0.00 C ATOM 1357 CE1 TYR A 90 9.077 4.853 -3.600 1.00 0.00 C ATOM 1358 CE2 TYR A 90 7.862 4.949 -5.658 1.00 0.00 C ATOM 1359 CZ TYR A 90 8.307 4.238 -4.564 1.00 0.00 C ATOM 1360 OH TYR A 90 7.979 2.908 -4.434 1.00 0.00 O ATOM 0 H TYR A 90 11.077 10.529 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 90 11.357 7.691 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.032 8.917 -4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.751 8.815 -5.794 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.008 6.667 -2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.843 6.839 -6.644 1.00 0.00 H new ATOM 0 HE1 TYR A 90 9.423 4.294 -2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.258 4.465 -6.411 1.00 0.00 H new ATOM 0 HH TYR A 90 8.661 2.454 -3.897 1.00 0.00 H new ATOM 1370 N PRO A 91 11.659 8.344 -7.522 1.00 0.00 N ATOM 1371 CA PRO A 91 11.923 8.709 -8.914 1.00 0.00 C ATOM 1372 C PRO A 91 10.758 8.364 -9.839 1.00 0.00 C ATOM 1373 O PRO A 91 10.033 7.398 -9.600 1.00 0.00 O ATOM 1374 CB PRO A 91 13.142 7.858 -9.250 1.00 0.00 C ATOM 1375 CG PRO A 91 12.955 6.610 -8.454 1.00 0.00 C ATOM 1376 CD PRO A 91 12.179 6.996 -7.214 1.00 0.00 C ATOM 0 HA PRO A 91 12.072 9.781 -9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 91 13.195 7.644 -10.317 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.068 8.366 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.414 5.860 -9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.917 6.173 -8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.371 6.293 -7.014 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.818 7.007 -6.331 1.00 0.00 H new ATOM 1384 N LYS A 92 10.584 9.160 -10.893 1.00 0.00 N ATOM 1385 CA LYS A 92 9.506 8.945 -11.859 1.00 0.00 C ATOM 1386 C LYS A 92 9.405 7.474 -12.262 1.00 0.00 C ATOM 1387 O LYS A 92 10.094 7.023 -13.178 1.00 0.00 O ATOM 1388 CB LYS A 92 9.732 9.806 -13.104 1.00 0.00 C ATOM 1389 CG LYS A 92 9.836 11.293 -12.803 1.00 0.00 C ATOM 1390 CD LYS A 92 8.819 12.097 -13.597 1.00 0.00 C ATOM 1391 CE LYS A 92 9.265 13.541 -13.777 1.00 0.00 C ATOM 1392 NZ LYS A 92 8.426 14.483 -12.986 1.00 0.00 N ATOM 0 H LYS A 92 11.178 9.963 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 92 8.570 9.234 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.645 9.479 -13.601 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.912 9.641 -13.803 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.681 11.461 -11.737 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.841 11.643 -13.038 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.672 11.636 -14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.857 12.074 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.307 13.640 -13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.214 13.808 -14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.023 15.248 -12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.688 14.888 -13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.980 13.972 -12.197 1.00 0.00 H new ATOM 1406 N ARG A 93 8.546 6.733 -11.569 1.00 0.00 N ATOM 1407 CA ARG A 93 8.360 5.313 -11.853 1.00 0.00 C ATOM 1408 C ARG A 93 6.900 4.990 -12.159 1.00 0.00 C ATOM 1409 O ARG A 93 6.015 5.827 -11.983 1.00 0.00 O ATOM 1410 CB ARG A 93 8.847 4.470 -10.671 1.00 0.00 C ATOM 1411 CG ARG A 93 9.842 3.389 -11.064 1.00 0.00 C ATOM 1412 CD ARG A 93 11.272 3.812 -10.769 1.00 0.00 C ATOM 1413 NE ARG A 93 11.972 4.253 -11.973 1.00 0.00 N ATOM 1414 CZ ARG A 93 13.264 4.570 -12.006 1.00 0.00 C ATOM 1415 NH1 ARG A 93 14.000 4.499 -10.902 1.00 0.00 N ATOM 1416 NH2 ARG A 93 13.823 4.961 -13.143 1.00 0.00 N ATOM 0 H ARG A 93 7.968 7.091 -10.808 1.00 0.00 H new ATOM 0 HA ARG A 93 8.950 5.070 -12.737 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.309 5.126 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.988 4.004 -10.189 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.615 2.470 -10.523 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.739 3.167 -12.126 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.267 4.619 -10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.812 2.978 -10.321 1.00 0.00 H new ATOM 0 HE ARG A 93 11.439 4.322 -12.840 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.575 4.200 -10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.990 4.743 -10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.263 5.019 -13.993 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.813 5.204 -13.167 1.00 0.00 H new ATOM 1430 N TYR A 94 6.660 3.765 -12.615 1.00 0.00 N ATOM 1431 CA TYR A 94 5.314 3.310 -12.946 1.00 0.00 C ATOM 1432 C TYR A 94 4.759 2.403 -11.850 1.00 0.00 C ATOM 1433 O TYR A 94 5.439 1.487 -11.391 1.00 0.00 O ATOM 1434 CB TYR A 94 5.324 2.568 -14.282 1.00 0.00 C ATOM 1435 CG TYR A 94 5.247 3.488 -15.475 1.00 0.00 C ATOM 1436 CD1 TYR A 94 6.369 4.171 -15.918 1.00 0.00 C ATOM 1437 CD2 TYR A 94 4.052 3.676 -16.155 1.00 0.00 C ATOM 1438 CE1 TYR A 94 6.305 5.017 -17.006 1.00 0.00 C ATOM 1439 CE2 TYR A 94 3.977 4.519 -17.244 1.00 0.00 C ATOM 1440 CZ TYR A 94 5.106 5.189 -17.667 1.00 0.00 C ATOM 1441 OH TYR A 94 5.037 6.032 -18.753 1.00 0.00 O ATOM 0 H TYR A 94 7.386 3.065 -12.765 1.00 0.00 H new ATOM 0 HA TYR A 94 4.669 4.185 -13.026 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.233 1.970 -14.351 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.483 1.875 -14.311 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.309 4.039 -15.403 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.166 3.153 -15.826 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.188 5.542 -17.338 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.039 4.654 -17.763 1.00 0.00 H new ATOM 0 HH TYR A 94 4.122 6.039 -19.104 1.00 0.00 H new ATOM 1451 N GLN A 95 3.523 2.666 -11.432 1.00 0.00 N ATOM 1452 CA GLN A 95 2.885 1.871 -10.386 1.00 0.00 C ATOM 1453 C GLN A 95 1.530 1.332 -10.850 1.00 0.00 C ATOM 1454 O GLN A 95 0.583 2.098 -11.027 1.00 0.00 O ATOM 1455 CB GLN A 95 2.708 2.712 -9.119 1.00 0.00 C ATOM 1456 CG GLN A 95 3.351 2.094 -7.887 1.00 0.00 C ATOM 1457 CD GLN A 95 4.375 3.008 -7.241 1.00 0.00 C ATOM 1458 OE1 GLN A 95 4.985 3.844 -7.908 1.00 0.00 O ATOM 1459 NE2 GLN A 95 4.566 2.853 -5.937 1.00 0.00 N ATOM 0 H GLN A 95 2.945 3.421 -11.800 1.00 0.00 H new ATOM 0 HA GLN A 95 3.532 1.021 -10.166 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.136 3.700 -9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.644 2.853 -8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.576 1.852 -7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.831 1.156 -8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.038 2.147 -5.425 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.241 3.440 -5.447 1.00 0.00 H new ATOM 1468 N SER A 96 1.442 0.015 -11.048 1.00 0.00 N ATOM 1469 CA SER A 96 0.195 -0.600 -11.493 1.00 0.00 C ATOM 1470 C SER A 96 -0.753 -0.852 -10.321 1.00 0.00 C ATOM 1471 O SER A 96 -0.321 -1.015 -9.181 1.00 0.00 O ATOM 1472 CB SER A 96 0.485 -1.916 -12.217 1.00 0.00 C ATOM 1473 OG SER A 96 1.070 -2.865 -11.340 1.00 0.00 O ATOM 0 H SER A 96 2.212 -0.639 -10.908 1.00 0.00 H new ATOM 0 HA SER A 96 -0.291 0.093 -12.180 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.440 -2.319 -12.629 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.154 -1.732 -13.057 1.00 0.00 H new ATOM 0 HG SER A 96 0.818 -3.769 -11.621 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.050 -0.888 -10.618 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.074 -1.128 -9.602 1.00 0.00 C ATOM 1481 C HIS A 97 -2.957 -0.141 -8.440 1.00 0.00 C ATOM 1482 O HIS A 97 -2.727 -0.537 -7.296 1.00 0.00 O ATOM 1483 CB HIS A 97 -2.973 -2.565 -9.085 1.00 0.00 C ATOM 1484 CG HIS A 97 -3.971 -3.495 -9.703 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -5.305 -3.507 -9.355 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -3.824 -4.447 -10.656 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.936 -4.426 -10.064 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.060 -5.010 -10.861 1.00 0.00 N ATOM 0 H HIS A 97 -2.419 -0.753 -11.559 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.048 -0.979 -10.068 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.969 -2.942 -9.278 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.111 -2.564 -8.004 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.907 -4.713 -11.160 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.989 -4.660 -10.002 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.268 -5.758 -11.522 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.126 1.146 -8.733 1.00 0.00 N ATOM 1498 CA VAL A 98 -3.048 2.174 -7.701 1.00 0.00 C ATOM 1499 C VAL A 98 -4.327 3.006 -7.662 1.00 0.00 C ATOM 1500 O VAL A 98 -4.947 3.248 -8.693 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.822 3.096 -7.909 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -1.970 3.953 -9.154 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.591 3.977 -6.693 1.00 0.00 C ATOM 0 H VAL A 98 -3.317 1.499 -9.671 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.932 1.663 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.954 2.450 -8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.090 4.587 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.068 3.310 -10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.858 4.578 -9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.724 4.615 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.470 4.598 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.413 3.351 -5.819 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.713 3.445 -6.466 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.914 4.255 -6.294 1.00 0.00 C ATOM 1515 C LEU A 99 -5.535 5.706 -6.041 1.00 0.00 C ATOM 1516 O LEU A 99 -4.504 5.981 -5.432 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.761 3.724 -5.139 1.00 0.00 C ATOM 1518 CG LEU A 99 -6.859 2.201 -5.060 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -5.684 1.632 -4.276 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.181 1.784 -4.428 1.00 0.00 C ATOM 0 H LEU A 99 -4.209 3.252 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.503 4.197 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.346 4.096 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.767 4.134 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.822 1.798 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.769 0.546 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.751 1.902 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.689 2.040 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.234 0.696 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.249 2.196 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.007 2.161 -5.031 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.357 6.634 -6.518 1.00 0.00 N ATOM 1533 CA LEU A 100 -6.063 8.051 -6.335 1.00 0.00 C ATOM 1534 C LEU A 100 -7.274 8.840 -5.846 1.00 0.00 C ATOM 1535 O LEU A 100 -8.409 8.583 -6.248 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.530 8.651 -7.636 1.00 0.00 C ATOM 1537 CG LEU A 100 -4.010 8.814 -7.685 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.570 9.322 -9.047 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.541 9.760 -6.591 1.00 0.00 C ATOM 0 H LEU A 100 -7.219 6.436 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.300 8.124 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.842 8.018 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.992 9.627 -7.787 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.556 7.837 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.486 9.431 -9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.873 8.611 -9.816 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.035 10.288 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.457 9.865 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.006 10.736 -6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.823 9.359 -5.618 1.00 0.00 H new ATOM 1551 N ALA A 101 -7.007 9.815 -4.978 1.00 0.00 N ATOM 1552 CA ALA A 101 -8.047 10.673 -4.421 1.00 0.00 C ATOM 1553 C ALA A 101 -7.483 12.047 -4.080 1.00 0.00 C ATOM 1554 O ALA A 101 -6.361 12.161 -3.590 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.653 10.046 -3.178 1.00 0.00 C ATOM 0 H ALA A 101 -6.068 10.030 -4.644 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.827 10.786 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.426 10.703 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.092 9.082 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.876 9.903 -2.427 1.00 0.00 H new ATOM 1561 N THR A 102 -8.264 13.088 -4.337 1.00 0.00 N ATOM 1562 CA THR A 102 -7.828 14.448 -4.049 1.00 0.00 C ATOM 1563 C THR A 102 -8.340 14.910 -2.689 1.00 0.00 C ATOM 1564 O THR A 102 -9.547 14.991 -2.461 1.00 0.00 O ATOM 1565 CB THR A 102 -8.296 15.405 -5.148 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.157 16.752 -4.733 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.739 15.194 -5.554 1.00 0.00 C ATOM 0 H THR A 102 -9.197 13.018 -4.742 1.00 0.00 H new ATOM 0 HA THR A 102 -6.738 14.454 -4.021 1.00 0.00 H new ATOM 0 HB THR A 102 -7.661 15.189 -6.007 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.267 16.884 -4.345 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.005 15.905 -6.336 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.867 14.178 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.386 15.346 -4.690 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.409 15.208 -1.786 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.778 15.655 -0.453 1.00 0.00 C ATOM 1577 C GLY A 103 -8.346 17.060 -0.451 1.00 0.00 C ATOM 1578 O GLY A 103 -9.435 17.298 -0.976 1.00 0.00 O ATOM 0 H GLY A 103 -6.405 15.148 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.513 14.968 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.902 15.619 0.195 1.00 0.00 H new ATOM 1678 N GLY A 112 1.349 5.551 5.027 1.00 0.00 N ATOM 1679 CA GLY A 112 0.890 4.346 5.692 1.00 0.00 C ATOM 1680 C GLY A 112 0.168 3.402 4.750 1.00 0.00 C ATOM 1681 O GLY A 112 0.567 3.239 3.596 1.00 0.00 O ATOM 0 HA2 GLY A 112 1.743 3.831 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.223 4.618 6.510 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.898 2.778 5.241 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.678 1.846 4.436 1.00 0.00 C ATOM 1687 C ILE A 113 -3.154 2.227 4.425 1.00 0.00 C ATOM 1688 O ILE A 113 -3.678 2.748 5.410 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.527 0.393 4.940 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -2.154 0.231 6.326 1.00 0.00 C ATOM 1691 CG2 ILE A 113 -0.060 -0.006 4.969 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -3.599 -0.218 6.287 1.00 0.00 C ATOM 0 H ILE A 113 -1.241 2.901 6.194 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.287 1.905 3.420 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.054 -0.266 4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.572 -0.493 6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.091 1.181 6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.031 -1.032 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.357 0.067 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.485 0.660 5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.978 -0.312 7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.194 0.517 5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.667 -1.183 5.784 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.821 1.966 3.305 1.00 0.00 N ATOM 1705 CA LEU A 114 -5.237 2.285 3.170 1.00 0.00 C ATOM 1706 C LEU A 114 -6.099 1.140 3.687 1.00 0.00 C ATOM 1707 O LEU A 114 -6.014 0.015 3.196 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.583 2.572 1.706 1.00 0.00 C ATOM 1709 CG LEU A 114 -7.072 2.772 1.418 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.676 3.780 2.384 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -7.278 3.219 -0.021 1.00 0.00 C ATOM 0 H LEU A 114 -3.404 1.535 2.480 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.441 3.175 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.045 3.466 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.218 1.747 1.094 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.581 1.819 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.735 3.907 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.561 3.419 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.165 4.737 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.343 3.357 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.755 4.160 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.885 2.460 -0.698 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.922 1.434 4.687 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.794 0.427 5.276 1.00 0.00 C ATOM 1725 C ARG A 115 -9.264 0.793 5.101 1.00 0.00 C ATOM 1726 O ARG A 115 -9.638 1.966 5.148 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.475 0.255 6.763 1.00 0.00 C ATOM 1728 CG ARG A 115 -7.667 1.525 7.577 1.00 0.00 C ATOM 1729 CD ARG A 115 -6.390 1.927 8.299 1.00 0.00 C ATOM 1730 NE ARG A 115 -6.245 1.239 9.580 1.00 0.00 N ATOM 1731 CZ ARG A 115 -6.991 1.500 10.650 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -7.934 2.432 10.600 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -6.794 0.826 11.774 1.00 0.00 N ATOM 0 H ARG A 115 -7.003 2.361 5.106 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.614 -0.514 4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.110 -0.530 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.444 -0.082 6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.984 2.335 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.465 1.374 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.530 1.702 7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.391 3.004 8.464 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.530 0.516 9.658 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.091 2.953 9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.502 2.627 11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -6.071 0.108 11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.365 1.025 12.595 1.00 0.00 H new ATOM 1747 N CYS A 116 -10.092 -0.228 4.908 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.526 -0.040 4.735 1.00 0.00 C ATOM 1749 C CYS A 116 -12.271 -0.529 5.970 1.00 0.00 C ATOM 1750 O CYS A 116 -11.714 -1.260 6.789 1.00 0.00 O ATOM 1751 CB CYS A 116 -12.018 -0.805 3.502 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.584 -0.180 2.809 1.00 0.00 S ATOM 0 H CYS A 116 -9.790 -1.202 4.867 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.721 1.023 4.595 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.249 -0.761 2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -12.144 -1.855 3.766 1.00 0.00 H new ATOM 0 HG CYS A 116 -14.555 -0.978 3.141 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.533 -0.140 6.095 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.346 -0.564 7.228 1.00 0.00 C ATOM 1759 C GLU A 117 -14.409 -2.090 7.300 1.00 0.00 C ATOM 1760 O GLU A 117 -14.734 -2.661 8.340 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.759 0.014 7.117 1.00 0.00 C ATOM 1762 CG GLU A 117 -16.674 -0.391 8.261 1.00 0.00 C ATOM 1763 CD GLU A 117 -17.244 0.801 9.006 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -16.459 1.699 9.377 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -18.475 0.836 9.216 1.00 0.00 O ATOM 0 H GLU A 117 -14.014 0.465 5.430 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.884 -0.189 8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.696 1.102 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -16.202 -0.311 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -17.493 -0.995 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.120 -1.019 8.959 1.00 0.00 H new ATOM 1772 N HIS A 118 -14.098 -2.739 6.180 1.00 0.00 N ATOM 1773 CA HIS A 118 -14.118 -4.193 6.099 1.00 0.00 C ATOM 1774 C HIS A 118 -12.742 -4.787 6.407 1.00 0.00 C ATOM 1775 O HIS A 118 -12.642 -5.872 6.978 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.577 -4.622 4.705 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.862 -3.983 4.275 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.970 -2.645 3.955 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -17.102 -4.505 4.114 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -17.217 -2.371 3.616 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.923 -3.483 3.704 1.00 0.00 N ATOM 0 H HIS A 118 -13.828 -2.275 5.313 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.817 -4.569 6.846 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.799 -4.375 3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.696 -5.705 4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.391 -5.533 4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.594 -1.404 3.318 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.919 -3.569 3.500 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.684 -4.072 6.025 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.334 -4.555 6.273 1.00 0.00 C ATOM 1791 C GLY A 119 -9.267 -3.644 5.699 1.00 0.00 C ATOM 1792 O GLY A 119 -9.265 -2.440 5.948 1.00 0.00 O ATOM 0 H GLY A 119 -11.737 -3.171 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.181 -4.654 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.225 -5.550 5.843 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.357 -4.231 4.933 1.00 0.00 N ATOM 1797 CA VAL A 120 -7.264 -3.488 4.312 1.00 0.00 C ATOM 1798 C VAL A 120 -7.417 -3.464 2.794 1.00 0.00 C ATOM 1799 O VAL A 120 -7.715 -4.484 2.180 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.888 -4.100 4.652 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.777 -3.105 4.368 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.835 -4.570 6.099 1.00 0.00 C ATOM 0 H VAL A 120 -8.353 -5.229 4.724 1.00 0.00 H new ATOM 0 HA VAL A 120 -7.312 -2.474 4.710 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.742 -4.972 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.815 -3.554 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.792 -2.834 3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.925 -2.211 4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.854 -4.996 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.012 -3.724 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.602 -5.327 6.264 1.00 0.00 H new ATOM 1812 N ILE A 121 -7.208 -2.298 2.189 1.00 0.00 N ATOM 1813 CA ILE A 121 -7.321 -2.169 0.741 1.00 0.00 C ATOM 1814 C ILE A 121 -5.942 -2.193 0.083 1.00 0.00 C ATOM 1815 O ILE A 121 -5.721 -2.927 -0.882 1.00 0.00 O ATOM 1816 CB ILE A 121 -8.084 -0.880 0.338 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -9.515 -1.225 -0.075 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.376 -0.143 -0.796 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -10.549 -0.246 0.436 1.00 0.00 C ATOM 0 H ILE A 121 -6.961 -1.436 2.675 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.895 -3.024 0.385 1.00 0.00 H new ATOM 0 HB ILE A 121 -8.107 -0.220 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.570 -1.263 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.759 -2.222 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.938 0.755 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.372 0.136 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -7.312 -0.793 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -11.540 -0.556 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -10.523 -0.224 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.331 0.749 0.048 1.00 0.00 H new ATOM 1831 N GLY A 122 -5.019 -1.388 0.603 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.683 -1.344 0.038 1.00 0.00 C ATOM 1833 C GLY A 122 -2.702 -0.558 0.883 1.00 0.00 C ATOM 1834 O GLY A 122 -2.970 -0.254 2.046 1.00 0.00 O ATOM 0 H GLY A 122 -5.171 -0.770 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.313 -2.362 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.731 -0.902 -0.957 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.557 -0.228 0.291 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.519 0.528 0.981 1.00 0.00 C ATOM 1840 C LEU A 123 -0.291 1.874 0.299 1.00 0.00 C ATOM 1841 O LEU A 123 -0.718 2.083 -0.833 1.00 0.00 O ATOM 1842 CB LEU A 123 0.787 -0.268 1.015 1.00 0.00 C ATOM 1843 CG LEU A 123 1.204 -0.887 -0.320 1.00 0.00 C ATOM 1844 CD1 LEU A 123 2.717 -0.869 -0.470 1.00 0.00 C ATOM 1845 CD2 LEU A 123 0.672 -2.308 -0.434 1.00 0.00 C ATOM 0 H LEU A 123 -1.325 -0.475 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.851 0.707 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.586 0.389 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.690 -1.065 1.753 1.00 0.00 H new ATOM 0 HG LEU A 123 0.775 -0.291 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.993 -1.314 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.074 0.160 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.170 -1.441 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 123 0.977 -2.735 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.074 -2.913 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.416 -2.295 -0.373 1.00 0.00 H new ATOM 1857 N VAL A 124 0.379 2.785 0.996 1.00 0.00 N ATOM 1858 CA VAL A 124 0.655 4.110 0.451 1.00 0.00 C ATOM 1859 C VAL A 124 1.667 4.042 -0.691 1.00 0.00 C ATOM 1860 O VAL A 124 2.732 3.439 -0.554 1.00 0.00 O ATOM 1861 CB VAL A 124 1.184 5.064 1.540 1.00 0.00 C ATOM 1862 CG1 VAL A 124 2.500 4.554 2.109 1.00 0.00 C ATOM 1863 CG2 VAL A 124 1.343 6.473 0.988 1.00 0.00 C ATOM 0 H VAL A 124 0.740 2.631 1.937 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.289 4.496 0.067 1.00 0.00 H new ATOM 0 HB VAL A 124 0.455 5.097 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.856 5.242 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.349 3.568 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.239 4.486 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.717 7.131 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.048 6.461 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 124 0.377 6.838 0.639 1.00 0.00 H new ATOM 1873 N THR A 125 1.334 4.672 -1.817 1.00 0.00 N ATOM 1874 CA THR A 125 2.220 4.687 -2.975 1.00 0.00 C ATOM 1875 C THR A 125 2.763 6.099 -3.223 1.00 0.00 C ATOM 1876 O THR A 125 3.757 6.492 -2.614 1.00 0.00 O ATOM 1877 CB THR A 125 1.496 4.135 -4.213 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.341 2.731 -4.111 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.215 4.417 -5.518 1.00 0.00 C ATOM 0 H THR A 125 0.458 5.177 -1.950 1.00 0.00 H new ATOM 0 HA THR A 125 3.072 4.038 -2.771 1.00 0.00 H new ATOM 0 HB THR A 125 0.535 4.648 -4.233 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.203 2.322 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.644 3.997 -6.346 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.313 5.494 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.206 3.963 -5.493 1.00 0.00 H new ATOM 1887 N MET A 126 2.122 6.866 -4.111 1.00 0.00 N ATOM 1888 CA MET A 126 2.588 8.224 -4.395 1.00 0.00 C ATOM 1889 C MET A 126 1.426 9.177 -4.652 1.00 0.00 C ATOM 1890 O MET A 126 0.451 8.820 -5.307 1.00 0.00 O ATOM 1891 CB MET A 126 3.529 8.221 -5.598 1.00 0.00 C ATOM 1892 CG MET A 126 4.876 7.573 -5.319 1.00 0.00 C ATOM 1893 SD MET A 126 5.867 8.506 -4.137 1.00 0.00 S ATOM 1894 CE MET A 126 6.261 9.966 -5.098 1.00 0.00 C ATOM 0 H MET A 126 1.296 6.576 -4.635 1.00 0.00 H new ATOM 0 HA MET A 126 3.125 8.576 -3.514 1.00 0.00 H new ATOM 0 HB2 MET A 126 3.048 7.697 -6.423 1.00 0.00 H new ATOM 0 HB3 MET A 126 3.691 9.248 -5.924 1.00 0.00 H new ATOM 0 HG2 MET A 126 4.717 6.565 -4.937 1.00 0.00 H new ATOM 0 HG3 MET A 126 5.428 7.477 -6.254 1.00 0.00 H new ATOM 0 HE1 MET A 126 6.341 10.827 -4.435 1.00 0.00 H new ATOM 0 HE2 MET A 126 7.209 9.816 -5.615 1.00 0.00 H new ATOM 0 HE3 MET A 126 5.473 10.144 -5.830 1.00 0.00 H new ATOM 1904 N GLY A 127 1.542 10.396 -4.136 1.00 0.00 N ATOM 1905 CA GLY A 127 0.497 11.386 -4.325 1.00 0.00 C ATOM 1906 C GLY A 127 0.963 12.573 -5.146 1.00 0.00 C ATOM 1907 O GLY A 127 2.154 12.881 -5.183 1.00 0.00 O ATOM 0 H GLY A 127 2.342 10.717 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -0.356 10.920 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 127 0.151 11.735 -3.352 1.00 0.00 H new ATOM 1911 N GLY A 128 0.022 13.242 -5.806 1.00 0.00 N ATOM 1912 CA GLY A 128 0.362 14.394 -6.620 1.00 0.00 C ATOM 1913 C GLY A 128 0.389 15.681 -5.820 1.00 0.00 C ATOM 1914 O GLY A 128 0.687 15.670 -4.626 1.00 0.00 O ATOM 0 H GLY A 128 -0.970 13.006 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.337 14.235 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.361 14.489 -7.430 1.00 0.00 H new ATOM 1918 N GLU A 129 0.077 16.794 -6.477 1.00 0.00 N ATOM 1919 CA GLU A 129 0.067 18.093 -5.815 1.00 0.00 C ATOM 1920 C GLU A 129 -1.122 18.213 -4.863 1.00 0.00 C ATOM 1921 O GLU A 129 -1.124 19.050 -3.961 1.00 0.00 O ATOM 1922 CB GLU A 129 0.020 19.217 -6.852 1.00 0.00 C ATOM 1923 CG GLU A 129 1.023 19.048 -7.981 1.00 0.00 C ATOM 1924 CD GLU A 129 0.457 19.450 -9.330 1.00 0.00 C ATOM 1925 OE1 GLU A 129 -0.366 18.688 -9.879 1.00 0.00 O ATOM 1926 OE2 GLU A 129 0.837 20.527 -9.835 1.00 0.00 O ATOM 0 H GLU A 129 -0.172 16.822 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 129 0.984 18.182 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.984 19.268 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.205 20.168 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 129 1.908 19.648 -7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.346 18.008 -8.022 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.129 17.369 -5.068 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.306 17.395 -4.217 1.00 0.00 C ATOM 1935 C GLY A 130 -4.067 16.080 -4.225 1.00 0.00 C ATOM 1936 O GLY A 130 -5.210 16.016 -3.767 1.00 0.00 O ATOM 0 H GLY A 130 -2.151 16.667 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.005 17.629 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.969 18.195 -4.546 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.436 15.028 -4.743 1.00 0.00 N ATOM 1941 CA VAL A 131 -4.063 13.713 -4.804 1.00 0.00 C ATOM 1942 C VAL A 131 -3.231 12.681 -4.050 1.00 0.00 C ATOM 1943 O VAL A 131 -2.031 12.865 -3.851 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.261 13.239 -6.262 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.477 12.335 -6.370 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.390 14.425 -7.210 1.00 0.00 C ATOM 0 H VAL A 131 -2.491 15.062 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.042 13.807 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.379 12.668 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.599 12.012 -7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.340 11.463 -5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.366 12.881 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.528 14.063 -8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.249 15.031 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.485 15.031 -7.160 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.877 11.599 -3.624 1.00 0.00 N ATOM 1957 CA VAL A 132 -3.195 10.547 -2.884 1.00 0.00 C ATOM 1958 C VAL A 132 -3.188 9.233 -3.662 1.00 0.00 C ATOM 1959 O VAL A 132 -4.240 8.667 -3.946 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.859 10.319 -1.506 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -4.015 11.637 -0.764 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -5.211 9.634 -1.655 1.00 0.00 C ATOM 0 H VAL A 132 -4.871 11.430 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.166 10.876 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.209 9.665 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -4.484 11.457 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.034 12.088 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.639 12.312 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.655 9.486 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.870 10.257 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -5.078 8.668 -2.141 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.996 8.744 -3.992 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.892 7.494 -4.723 1.00 0.00 C ATOM 1974 C GLY A 133 -1.534 6.333 -3.818 1.00 0.00 C ATOM 1975 O GLY A 133 -0.452 6.302 -3.234 1.00 0.00 O ATOM 0 H GLY A 133 -1.105 9.188 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.839 7.286 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -1.136 7.592 -5.502 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.451 5.380 -3.694 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.232 4.215 -2.846 1.00 0.00 C ATOM 1981 C PHE A 134 -2.236 2.929 -3.667 1.00 0.00 C ATOM 1982 O PHE A 134 -3.043 2.768 -4.579 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.310 4.146 -1.763 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.453 5.415 -0.967 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.335 6.135 -0.576 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.706 5.884 -0.604 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.464 7.297 0.159 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.840 7.045 0.133 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.718 7.753 0.515 1.00 0.00 C ATOM 0 H PHE A 134 -3.353 5.392 -4.170 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.254 4.316 -2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.267 3.911 -2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.077 3.326 -1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.351 5.783 -0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.588 5.335 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.584 7.849 0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.822 7.399 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.821 8.661 1.091 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.335 2.015 -3.336 1.00 0.00 N ATOM 2000 CA ALA A 135 -1.243 0.743 -4.043 1.00 0.00 C ATOM 2001 C ALA A 135 -2.156 -0.298 -3.401 1.00 0.00 C ATOM 2002 O ALA A 135 -1.955 -0.689 -2.252 1.00 0.00 O ATOM 2003 CB ALA A 135 0.196 0.256 -4.063 1.00 0.00 C ATOM 0 H ALA A 135 -0.657 2.129 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.572 0.893 -5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.251 -0.694 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.822 0.991 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.549 0.122 -3.040 1.00 0.00 H new ATOM 2009 N ASP A 136 -3.168 -0.729 -4.148 1.00 0.00 N ATOM 2010 CA ASP A 136 -4.126 -1.711 -3.649 1.00 0.00 C ATOM 2011 C ASP A 136 -3.529 -3.114 -3.609 1.00 0.00 C ATOM 2012 O ASP A 136 -2.805 -3.520 -4.518 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.384 -1.716 -4.519 1.00 0.00 C ATOM 2014 CG ASP A 136 -5.066 -1.806 -5.999 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -4.736 -2.915 -6.469 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -5.147 -0.767 -6.687 1.00 0.00 O ATOM 0 H ASP A 136 -3.346 -0.414 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.385 -1.423 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -6.015 -2.558 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.957 -0.809 -4.328 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.862 -3.859 -2.557 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.385 -5.229 -2.402 1.00 0.00 C ATOM 2023 C VAL A 137 -4.356 -6.212 -3.061 1.00 0.00 C ATOM 2024 O VAL A 137 -4.243 -7.425 -2.892 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.216 -5.598 -0.911 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.657 -7.006 -0.756 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.322 -4.589 -0.205 1.00 0.00 C ATOM 0 H VAL A 137 -4.462 -3.535 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.413 -5.295 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.201 -5.571 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.548 -7.240 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.338 -7.721 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.684 -7.067 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.216 -4.868 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.340 -4.579 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.768 -3.597 -0.274 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.313 -5.676 -3.817 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.304 -6.496 -4.500 1.00 0.00 C ATOM 2039 C ARG A 138 -5.686 -7.277 -5.662 1.00 0.00 C ATOM 2040 O ARG A 138 -6.347 -8.117 -6.270 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.445 -5.614 -5.013 1.00 0.00 C ATOM 2042 CG ARG A 138 -8.093 -4.764 -3.931 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.306 -5.459 -3.333 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.371 -5.641 -4.319 1.00 0.00 N ATOM 2045 CZ ARG A 138 -11.070 -6.765 -4.467 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.842 -7.813 -3.685 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -12.009 -6.839 -5.401 1.00 0.00 N ATOM 0 H ARG A 138 -5.420 -4.673 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.693 -7.218 -3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -7.063 -4.960 -5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -8.206 -6.248 -5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.367 -4.556 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -8.392 -3.804 -4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.009 -6.430 -2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -9.683 -4.873 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.593 -4.857 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -10.125 -7.763 -2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -11.384 -8.668 -3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -12.194 -6.037 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -12.546 -7.698 -5.517 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.418 -6.999 -5.967 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.732 -7.685 -7.057 1.00 0.00 C ATOM 2063 C ASP A 139 -2.937 -8.884 -6.542 1.00 0.00 C ATOM 2064 O ASP A 139 -2.134 -9.466 -7.272 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.799 -6.718 -7.786 1.00 0.00 C ATOM 2066 CG ASP A 139 -2.522 -7.149 -9.213 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -3.491 -7.312 -9.984 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -1.334 -7.323 -9.561 1.00 0.00 O ATOM 0 H ASP A 139 -3.850 -6.308 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 139 -4.488 -8.049 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -3.242 -5.722 -7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.857 -6.646 -7.242 1.00 0.00 H new ATOM 2073 N LEU A 140 -3.165 -9.250 -5.284 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.470 -10.376 -4.674 1.00 0.00 C ATOM 2075 C LEU A 140 -2.961 -10.591 -3.248 1.00 0.00 C ATOM 2076 O LEU A 140 -2.205 -10.465 -2.288 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.945 -10.161 -4.701 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.398 -8.912 -3.977 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.443 -7.814 -3.860 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.132 -9.279 -2.601 1.00 0.00 C ATOM 0 H LEU A 140 -3.828 -8.781 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.692 -11.272 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.472 -11.040 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.628 -10.114 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 140 0.420 -8.524 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -1.013 -6.956 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.768 -7.513 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.299 -8.185 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.513 -8.385 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.672 -9.708 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 140 0.936 -10.007 -2.703 1.00 0.00 H new ATOM 2092 N LEU A 141 -4.246 -10.907 -3.122 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.857 -11.127 -1.818 1.00 0.00 C ATOM 2094 C LEU A 141 -4.502 -12.496 -1.243 1.00 0.00 C ATOM 2095 O LEU A 141 -4.713 -12.743 -0.058 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.375 -10.980 -1.909 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.975 -9.930 -0.971 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.333 -9.998 0.407 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.826 -8.537 -1.570 1.00 0.00 C ATOM 0 H LEU A 141 -4.885 -11.016 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.458 -10.369 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.640 -10.725 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.833 -11.945 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 141 -8.037 -10.144 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.778 -9.241 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.499 -10.986 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.262 -9.816 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.257 -7.801 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.769 -8.317 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.345 -8.495 -2.528 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.979 -13.382 -2.083 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.611 -14.726 -1.644 1.00 0.00 C ATOM 2113 C TRP A 142 -2.627 -14.682 -0.473 1.00 0.00 C ATOM 2114 O TRP A 142 -1.426 -14.881 -0.647 1.00 0.00 O ATOM 2115 CB TRP A 142 -3.015 -15.533 -2.803 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.864 -14.861 -3.486 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.914 -13.779 -4.321 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.486 -15.236 -3.401 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.650 -13.454 -4.748 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.244 -14.334 -4.197 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.204 -16.245 -2.725 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.625 -14.413 -4.334 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.577 -16.323 -2.860 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.275 -15.410 -3.659 1.00 0.00 C ATOM 0 H TRP A 142 -3.800 -13.196 -3.070 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.522 -15.219 -1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.685 -16.501 -2.426 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.797 -15.726 -3.537 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.816 -13.256 -4.603 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.415 -12.683 -5.373 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.327 -16.953 -2.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.166 -13.712 -4.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.119 -17.100 -2.341 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.348 -15.494 -3.744 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.158 -14.429 0.721 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.351 -14.367 1.937 1.00 0.00 C ATOM 2137 C LEU A 143 -3.123 -14.962 3.111 1.00 0.00 C ATOM 2138 O LEU A 143 -2.591 -15.767 3.875 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.954 -12.921 2.262 1.00 0.00 C ATOM 2140 CG LEU A 143 -1.145 -12.190 1.184 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -2.072 -11.451 0.238 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.159 -11.222 1.824 1.00 0.00 C ATOM 0 H LEU A 143 -4.153 -14.262 0.873 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.443 -14.946 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.862 -12.350 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.374 -12.923 3.185 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.583 -12.929 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.483 -10.937 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.743 -12.162 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.657 -10.722 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.407 -10.711 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.703 -10.488 2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.526 -11.773 2.468 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.384 -14.560 3.243 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.239 -15.051 4.317 1.00 0.00 C ATOM 2156 C GLU A 144 -6.706 -15.038 3.889 1.00 0.00 C ATOM 2157 O GLU A 144 -7.014 -14.943 2.701 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.044 -14.205 5.581 1.00 0.00 C ATOM 2159 CG GLU A 144 -5.681 -12.826 5.505 1.00 0.00 C ATOM 2160 CD GLU A 144 -5.590 -12.070 6.817 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -4.566 -12.216 7.516 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -6.544 -11.334 7.144 1.00 0.00 O ATOM 0 H GLU A 144 -4.836 -13.894 2.617 1.00 0.00 H new ATOM 0 HA GLU A 144 -4.956 -16.080 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -5.462 -14.741 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -3.976 -14.091 5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -5.193 -12.247 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -6.728 -12.928 5.220 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.608 -15.134 4.862 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.040 -15.135 4.580 1.00 0.00 C ATOM 2171 C ASP A 145 -9.488 -13.790 4.014 1.00 0.00 C ATOM 2172 O ASP A 145 -9.008 -12.737 4.434 1.00 0.00 O ATOM 2173 CB ASP A 145 -9.829 -15.454 5.852 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.014 -16.945 6.057 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -10.698 -17.578 5.226 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -9.474 -17.479 7.049 1.00 0.00 O ATOM 0 H ASP A 145 -7.373 -15.212 5.851 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.237 -15.904 3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.311 -15.033 6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -10.806 -14.973 5.801 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.413 -13.837 3.060 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.932 -12.625 2.435 1.00 0.00 C ATOM 2183 C ASP A 146 -12.096 -12.054 3.238 1.00 0.00 C ATOM 2184 O ASP A 146 -12.787 -12.784 3.949 1.00 0.00 O ATOM 2185 CB ASP A 146 -11.381 -12.919 1.002 1.00 0.00 C ATOM 2186 CG ASP A 146 -10.235 -12.851 0.011 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -9.653 -11.758 -0.150 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -9.922 -13.892 -0.605 1.00 0.00 O ATOM 0 H ASP A 146 -10.819 -14.702 2.703 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.132 -11.885 2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.834 -13.910 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -12.151 -12.205 0.712 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.309 -10.747 3.120 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.393 -10.085 3.837 1.00 0.00 C ATOM 2195 C ALA A 147 -14.631 -9.947 2.958 1.00 0.00 C ATOM 2196 O ALA A 147 -14.586 -9.317 1.902 1.00 0.00 O ATOM 2197 CB ALA A 147 -12.940 -8.719 4.332 1.00 0.00 C ATOM 0 H ALA A 147 -11.747 -10.127 2.537 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.657 -10.702 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -13.758 -8.236 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.090 -8.839 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -12.647 -8.103 3.482 1.00 0.00 H new