USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 31 SER OG : rot 160:sc= 0.00244 USER MOD Set 1.2: A 70 ASN : amide:sc= -3.11 K(o=-3.1,f=-5.5!) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0.851 USER MOD Set 2.2: A 20 LYS NZ :NH3+ 149:sc= 0.894 (180deg=0.623) USER MOD Single : A 9 MET CE :methyl -178:sc= -1.18 (180deg=-1.19) USER MOD Single : A 11 ASN : amide:sc= -3.85! C(o=-3.8!,f=-11!) USER MOD Single : A 21 THR OG1 : rot 37:sc= 0.293 USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.134 (180deg=-0.608) USER MOD Single : A 27 SER OG : rot -60:sc= 1.22 USER MOD Single : A 29 ASN : amide:sc= -0.0038 X(o=-0.0038,f=-0.0016) USER MOD Single : A 33 SER OG : rot 162:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.71) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 87:sc= 0.358 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.0053) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00612 USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= 0.956 (180deg=0.711) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -140:sc=-0.00269 USER MOD Single : A 86 MET CE :methyl 168:sc= -1.21 (180deg=-1.45) USER MOD Single : A 87 HIS : no HD1:sc= -0.977 K(o=-0.98,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.271 -13.695 8.289 1.00 62.00 N ATOM 38 CA VAL A 5 -12.057 -12.960 7.345 1.00 11.41 C ATOM 39 C VAL A 5 -13.541 -13.294 7.546 1.00 71.04 C ATOM 40 O VAL A 5 -13.943 -14.441 7.361 1.00 64.50 O ATOM 41 CB VAL A 5 -11.703 -13.349 5.891 1.00 53.51 C ATOM 42 CG1 VAL A 5 -12.318 -12.379 4.922 1.00 32.15 C ATOM 43 CG2 VAL A 5 -10.217 -13.472 5.665 1.00 3.21 C ATOM 0 HA VAL A 5 -11.853 -11.901 7.506 1.00 11.41 H new ATOM 0 HB VAL A 5 -12.124 -14.339 5.714 1.00 53.51 H new ATOM 0 HG11 VAL A 5 -12.058 -12.668 3.904 1.00 32.15 H new ATOM 0 HG12 VAL A 5 -13.402 -12.388 5.037 1.00 32.15 H new ATOM 0 HG13 VAL A 5 -11.940 -11.376 5.122 1.00 32.15 H new ATOM 0 HG21 VAL A 5 -10.028 -13.747 4.627 1.00 3.21 H new ATOM 0 HG22 VAL A 5 -9.736 -12.518 5.881 1.00 3.21 H new ATOM 0 HG23 VAL A 5 -9.811 -14.240 6.323 1.00 3.21 H new ATOM 53 N PRO A 6 -14.362 -12.327 7.945 1.00 13.42 N ATOM 54 CA PRO A 6 -15.804 -12.522 8.033 1.00 64.43 C ATOM 55 C PRO A 6 -16.400 -12.593 6.642 1.00 60.23 C ATOM 56 O PRO A 6 -15.896 -11.937 5.713 1.00 53.44 O ATOM 57 CB PRO A 6 -16.319 -11.252 8.711 1.00 72.13 C ATOM 58 CG PRO A 6 -15.118 -10.519 9.185 1.00 61.25 C ATOM 59 CD PRO A 6 -13.960 -10.994 8.363 1.00 45.34 C ATOM 0 HA PRO A 6 -16.062 -13.437 8.567 1.00 64.43 H new ATOM 0 HB2 PRO A 6 -16.895 -10.645 8.013 1.00 72.13 H new ATOM 0 HB3 PRO A 6 -16.980 -11.496 9.543 1.00 72.13 H new ATOM 0 HG2 PRO A 6 -15.254 -9.443 9.073 1.00 61.25 H new ATOM 0 HG3 PRO A 6 -14.943 -10.710 10.244 1.00 61.25 H new ATOM 0 HD2 PRO A 6 -13.781 -10.342 7.508 1.00 45.34 H new ATOM 0 HD3 PRO A 6 -13.038 -11.017 8.944 1.00 45.34 H new ATOM 67 N ALA A 7 -17.463 -13.339 6.480 1.00 52.12 N ATOM 68 CA ALA A 7 -18.104 -13.443 5.195 1.00 2.53 C ATOM 69 C ALA A 7 -18.971 -12.227 4.945 1.00 35.43 C ATOM 70 O ALA A 7 -20.192 -12.254 5.093 1.00 13.10 O ATOM 71 CB ALA A 7 -18.886 -14.722 5.051 1.00 22.24 C ATOM 0 H ALA A 7 -17.903 -13.883 7.222 1.00 52.12 H new ATOM 0 HA ALA A 7 -17.325 -13.474 4.434 1.00 2.53 H new ATOM 0 HB1 ALA A 7 -19.351 -14.755 4.066 1.00 22.24 H new ATOM 0 HB2 ALA A 7 -18.215 -15.573 5.164 1.00 22.24 H new ATOM 0 HB3 ALA A 7 -19.659 -14.764 5.819 1.00 22.24 H new ATOM 77 N ASP A 8 -18.295 -11.152 4.679 1.00 50.12 N ATOM 78 CA ASP A 8 -18.881 -9.857 4.375 1.00 41.44 C ATOM 79 C ASP A 8 -17.763 -8.990 3.885 1.00 13.12 C ATOM 80 O ASP A 8 -17.901 -8.218 2.941 1.00 52.14 O ATOM 81 CB ASP A 8 -19.467 -9.220 5.646 1.00 24.22 C ATOM 82 CG ASP A 8 -20.175 -7.901 5.390 1.00 60.33 C ATOM 83 OD1 ASP A 8 -19.507 -6.856 5.262 1.00 61.53 O ATOM 84 OD2 ASP A 8 -21.415 -7.892 5.344 1.00 43.44 O ATOM 0 H ASP A 8 -17.275 -11.139 4.664 1.00 50.12 H new ATOM 0 HA ASP A 8 -19.679 -9.963 3.640 1.00 41.44 H new ATOM 0 HB2 ASP A 8 -20.169 -9.918 6.102 1.00 24.22 H new ATOM 0 HB3 ASP A 8 -18.664 -9.059 6.366 1.00 24.22 H new ATOM 89 N MET A 9 -16.633 -9.184 4.521 1.00 75.30 N ATOM 90 CA MET A 9 -15.422 -8.441 4.243 1.00 25.51 C ATOM 91 C MET A 9 -14.558 -9.256 3.309 1.00 71.22 C ATOM 92 O MET A 9 -14.518 -10.485 3.409 1.00 22.15 O ATOM 93 CB MET A 9 -14.658 -8.207 5.548 1.00 32.40 C ATOM 94 CG MET A 9 -15.391 -7.381 6.592 1.00 31.21 C ATOM 95 SD MET A 9 -15.547 -5.632 6.169 1.00 50.50 S ATOM 96 CE MET A 9 -13.830 -5.102 6.296 1.00 23.22 C ATOM 0 H MET A 9 -16.525 -9.876 5.262 1.00 75.30 H new ATOM 0 HA MET A 9 -15.672 -7.482 3.788 1.00 25.51 H new ATOM 0 HB2 MET A 9 -14.411 -9.175 5.983 1.00 32.40 H new ATOM 0 HB3 MET A 9 -13.715 -7.712 5.314 1.00 32.40 H new ATOM 0 HG2 MET A 9 -16.387 -7.799 6.737 1.00 31.21 H new ATOM 0 HG3 MET A 9 -14.866 -7.469 7.543 1.00 31.21 H new ATOM 0 HE1 MET A 9 -13.764 -4.032 6.098 1.00 23.22 H new ATOM 0 HE2 MET A 9 -13.459 -5.309 7.300 1.00 23.22 H new ATOM 0 HE3 MET A 9 -13.227 -5.644 5.567 1.00 23.22 H new ATOM 106 N ILE A 10 -13.887 -8.604 2.416 1.00 31.41 N ATOM 107 CA ILE A 10 -13.027 -9.282 1.486 1.00 20.44 C ATOM 108 C ILE A 10 -11.568 -9.228 1.939 1.00 13.02 C ATOM 109 O ILE A 10 -11.114 -8.228 2.515 1.00 43.25 O ATOM 110 CB ILE A 10 -13.223 -8.787 -0.002 1.00 50.00 C ATOM 111 CG1 ILE A 10 -13.036 -7.287 -0.182 1.00 53.42 C ATOM 112 CG2 ILE A 10 -14.564 -9.180 -0.547 1.00 12.21 C ATOM 113 CD1 ILE A 10 -11.617 -6.829 -0.272 1.00 2.44 C ATOM 0 H ILE A 10 -13.915 -7.590 2.306 1.00 31.41 H new ATOM 0 HA ILE A 10 -13.323 -10.331 1.483 1.00 20.44 H new ATOM 0 HB ILE A 10 -12.434 -9.287 -0.563 1.00 50.00 H new ATOM 0 HG12 ILE A 10 -13.559 -6.978 -1.087 1.00 53.42 H new ATOM 0 HG13 ILE A 10 -13.514 -6.775 0.653 1.00 53.42 H new ATOM 0 HG21 ILE A 10 -14.660 -8.821 -1.572 1.00 12.21 H new ATOM 0 HG22 ILE A 10 -14.659 -10.266 -0.532 1.00 12.21 H new ATOM 0 HG23 ILE A 10 -15.350 -8.739 0.067 1.00 12.21 H new ATOM 0 HD11 ILE A 10 -11.591 -5.747 -0.399 1.00 2.44 H new ATOM 0 HD12 ILE A 10 -11.089 -7.100 0.642 1.00 2.44 H new ATOM 0 HD13 ILE A 10 -11.134 -7.306 -1.125 1.00 2.44 H new ATOM 125 N ASN A 11 -10.867 -10.307 1.750 1.00 22.34 N ATOM 126 CA ASN A 11 -9.462 -10.349 2.082 1.00 2.32 C ATOM 127 C ASN A 11 -8.664 -9.872 0.912 1.00 1.03 C ATOM 128 O ASN A 11 -8.810 -10.388 -0.208 1.00 21.01 O ATOM 129 CB ASN A 11 -9.015 -11.752 2.452 1.00 20.04 C ATOM 130 CG ASN A 11 -7.509 -11.837 2.633 1.00 51.02 C ATOM 131 OD1 ASN A 11 -6.791 -12.023 1.685 1.00 12.31 O ATOM 132 ND2 ASN A 11 -7.030 -11.737 3.835 1.00 22.55 N ATOM 0 H ASN A 11 -11.241 -11.175 1.367 1.00 22.34 H new ATOM 0 HA ASN A 11 -9.300 -9.703 2.945 1.00 2.32 H new ATOM 0 HB2 ASN A 11 -9.509 -12.059 3.373 1.00 20.04 H new ATOM 0 HB3 ASN A 11 -9.327 -12.449 1.675 1.00 20.04 H new ATOM 0 HD21 ASN A 11 -6.025 -11.816 3.992 1.00 22.55 H new ATOM 0 HD22 ASN A 11 -7.658 -11.579 4.623 1.00 22.55 H new ATOM 139 N LEU A 12 -7.840 -8.908 1.146 1.00 75.20 N ATOM 140 CA LEU A 12 -7.028 -8.384 0.120 1.00 71.43 C ATOM 141 C LEU A 12 -5.592 -8.267 0.559 1.00 53.43 C ATOM 142 O LEU A 12 -5.290 -7.745 1.640 1.00 52.01 O ATOM 143 CB LEU A 12 -7.580 -7.036 -0.324 1.00 75.01 C ATOM 144 CG LEU A 12 -6.705 -6.199 -1.242 1.00 42.34 C ATOM 145 CD1 LEU A 12 -6.348 -6.917 -2.522 1.00 74.23 C ATOM 146 CD2 LEU A 12 -7.360 -4.880 -1.515 1.00 44.30 C ATOM 0 H LEU A 12 -7.716 -8.466 2.057 1.00 75.20 H new ATOM 0 HA LEU A 12 -7.045 -9.071 -0.726 1.00 71.43 H new ATOM 0 HB2 LEU A 12 -8.531 -7.209 -0.828 1.00 75.01 H new ATOM 0 HB3 LEU A 12 -7.795 -6.448 0.568 1.00 75.01 H new ATOM 0 HG LEU A 12 -5.762 -6.022 -0.725 1.00 42.34 H new ATOM 0 HD11 LEU A 12 -5.722 -6.272 -3.139 1.00 74.23 H new ATOM 0 HD12 LEU A 12 -5.805 -7.832 -2.286 1.00 74.23 H new ATOM 0 HD13 LEU A 12 -7.259 -7.166 -3.066 1.00 74.23 H new ATOM 0 HD21 LEU A 12 -6.725 -4.288 -2.174 1.00 44.30 H new ATOM 0 HD22 LEU A 12 -8.325 -5.045 -1.994 1.00 44.30 H new ATOM 0 HD23 LEU A 12 -7.507 -4.346 -0.576 1.00 44.30 H new ATOM 158 N ARG A 13 -4.720 -8.742 -0.284 1.00 34.23 N ATOM 159 CA ARG A 13 -3.325 -8.627 -0.089 1.00 75.23 C ATOM 160 C ARG A 13 -2.774 -7.601 -1.051 1.00 51.34 C ATOM 161 O ARG A 13 -2.886 -7.744 -2.273 1.00 24.33 O ATOM 162 CB ARG A 13 -2.691 -9.988 -0.297 1.00 31.44 C ATOM 163 CG ARG A 13 -1.191 -10.029 -0.237 1.00 45.13 C ATOM 164 CD ARG A 13 -0.751 -11.462 -0.264 1.00 62.54 C ATOM 165 NE ARG A 13 0.703 -11.610 -0.352 1.00 64.34 N ATOM 166 CZ ARG A 13 1.464 -12.206 0.561 1.00 31.01 C ATOM 167 NH1 ARG A 13 0.935 -12.630 1.704 1.00 12.14 N ATOM 168 NH2 ARG A 13 2.758 -12.369 0.333 1.00 4.54 N ATOM 0 H ARG A 13 -4.978 -9.229 -1.142 1.00 34.23 H new ATOM 0 HA ARG A 13 -3.098 -8.294 0.924 1.00 75.23 H new ATOM 0 HB2 ARG A 13 -3.084 -10.670 0.457 1.00 31.44 H new ATOM 0 HB3 ARG A 13 -3.007 -10.370 -1.268 1.00 31.44 H new ATOM 0 HG2 ARG A 13 -0.764 -9.486 -1.080 1.00 45.13 H new ATOM 0 HG3 ARG A 13 -0.835 -9.541 0.670 1.00 45.13 H new ATOM 0 HD2 ARG A 13 -1.108 -11.964 0.635 1.00 62.54 H new ATOM 0 HD3 ARG A 13 -1.214 -11.963 -1.114 1.00 62.54 H new ATOM 0 HE ARG A 13 1.167 -11.227 -1.176 1.00 64.34 H new ATOM 0 HH11 ARG A 13 -0.060 -12.499 1.885 1.00 12.14 H new ATOM 0 HH12 ARG A 13 1.524 -13.086 2.400 1.00 12.14 H new ATOM 0 HH21 ARG A 13 3.168 -12.038 -0.540 1.00 4.54 H new ATOM 0 HH22 ARG A 13 3.345 -12.826 1.031 1.00 4.54 H new ATOM 182 N LEU A 14 -2.176 -6.599 -0.498 1.00 70.00 N ATOM 183 CA LEU A 14 -1.614 -5.495 -1.244 1.00 72.54 C ATOM 184 C LEU A 14 -0.105 -5.654 -1.292 1.00 61.22 C ATOM 185 O LEU A 14 0.545 -5.832 -0.251 1.00 22.25 O ATOM 186 CB LEU A 14 -1.960 -4.109 -0.570 1.00 21.15 C ATOM 187 CG LEU A 14 -3.444 -3.671 -0.452 1.00 61.54 C ATOM 188 CD1 LEU A 14 -4.112 -3.522 -1.796 1.00 74.44 C ATOM 189 CD2 LEU A 14 -4.251 -4.579 0.442 1.00 60.30 C ATOM 0 H LEU A 14 -2.055 -6.512 0.511 1.00 70.00 H new ATOM 0 HA LEU A 14 -2.040 -5.505 -2.247 1.00 72.54 H new ATOM 0 HB2 LEU A 14 -1.541 -4.120 0.436 1.00 21.15 H new ATOM 0 HB3 LEU A 14 -1.433 -3.334 -1.126 1.00 21.15 H new ATOM 0 HG LEU A 14 -3.417 -2.687 0.017 1.00 61.54 H new ATOM 0 HD11 LEU A 14 -5.148 -3.214 -1.655 1.00 74.44 H new ATOM 0 HD12 LEU A 14 -3.586 -2.768 -2.382 1.00 74.44 H new ATOM 0 HD13 LEU A 14 -4.085 -4.476 -2.323 1.00 74.44 H new ATOM 0 HD21 LEU A 14 -5.281 -4.224 0.487 1.00 60.30 H new ATOM 0 HD22 LEU A 14 -4.234 -5.593 0.042 1.00 60.30 H new ATOM 0 HD23 LEU A 14 -3.823 -4.577 1.444 1.00 60.30 H new ATOM 201 N ILE A 15 0.463 -5.629 -2.466 1.00 23.42 N ATOM 202 CA ILE A 15 1.888 -5.687 -2.550 1.00 43.45 C ATOM 203 C ILE A 15 2.396 -4.291 -2.752 1.00 2.44 C ATOM 204 O ILE A 15 2.039 -3.624 -3.733 1.00 72.23 O ATOM 205 CB ILE A 15 2.396 -6.611 -3.677 1.00 51.33 C ATOM 206 CG1 ILE A 15 1.755 -8.005 -3.526 1.00 35.32 C ATOM 207 CG2 ILE A 15 3.934 -6.702 -3.623 1.00 73.00 C ATOM 208 CD1 ILE A 15 2.225 -9.021 -4.536 1.00 34.52 C ATOM 0 H ILE A 15 -0.029 -5.570 -3.357 1.00 23.42 H new ATOM 0 HA ILE A 15 2.267 -6.116 -1.623 1.00 43.45 H new ATOM 0 HB ILE A 15 2.112 -6.202 -4.646 1.00 51.33 H new ATOM 0 HG12 ILE A 15 1.966 -8.382 -2.525 1.00 35.32 H new ATOM 0 HG13 ILE A 15 0.673 -7.904 -3.607 1.00 35.32 H new ATOM 0 HG21 ILE A 15 4.288 -7.355 -4.420 1.00 73.00 H new ATOM 0 HG22 ILE A 15 4.362 -5.708 -3.751 1.00 73.00 H new ATOM 0 HG23 ILE A 15 4.241 -7.107 -2.659 1.00 73.00 H new ATOM 0 HD11 ILE A 15 1.723 -9.972 -4.356 1.00 34.52 H new ATOM 0 HD12 ILE A 15 1.989 -8.671 -5.541 1.00 34.52 H new ATOM 0 HD13 ILE A 15 3.303 -9.156 -4.442 1.00 34.52 H new ATOM 220 N LEU A 16 3.196 -3.842 -1.818 1.00 72.11 N ATOM 221 CA LEU A 16 3.711 -2.502 -1.825 1.00 13.12 C ATOM 222 C LEU A 16 4.749 -2.347 -2.910 1.00 15.15 C ATOM 223 O LEU A 16 5.420 -3.310 -3.276 1.00 51.23 O ATOM 224 CB LEU A 16 4.350 -2.176 -0.468 1.00 14.04 C ATOM 225 CG LEU A 16 3.468 -2.383 0.766 1.00 64.13 C ATOM 226 CD1 LEU A 16 4.204 -1.991 2.038 1.00 13.34 C ATOM 227 CD2 LEU A 16 2.167 -1.622 0.637 1.00 2.15 C ATOM 0 H LEU A 16 3.509 -4.403 -1.026 1.00 72.11 H new ATOM 0 HA LEU A 16 2.885 -1.816 -2.014 1.00 13.12 H new ATOM 0 HB2 LEU A 16 5.245 -2.789 -0.355 1.00 14.04 H new ATOM 0 HB3 LEU A 16 4.676 -1.136 -0.485 1.00 14.04 H new ATOM 0 HG LEU A 16 3.231 -3.445 0.831 1.00 64.13 H new ATOM 0 HD11 LEU A 16 3.553 -2.148 2.898 1.00 13.34 H new ATOM 0 HD12 LEU A 16 5.100 -2.603 2.144 1.00 13.34 H new ATOM 0 HD13 LEU A 16 4.487 -0.940 1.985 1.00 13.34 H new ATOM 0 HD21 LEU A 16 1.559 -1.786 1.527 1.00 2.15 H new ATOM 0 HD22 LEU A 16 2.377 -0.558 0.533 1.00 2.15 H new ATOM 0 HD23 LEU A 16 1.626 -1.973 -0.242 1.00 2.15 H new ATOM 239 N VAL A 17 4.917 -1.122 -3.386 1.00 71.42 N ATOM 240 CA VAL A 17 5.914 -0.798 -4.423 1.00 1.43 C ATOM 241 C VAL A 17 7.338 -1.064 -3.875 1.00 63.11 C ATOM 242 O VAL A 17 8.306 -1.186 -4.613 1.00 70.21 O ATOM 243 CB VAL A 17 5.781 0.698 -4.866 1.00 43.14 C ATOM 244 CG1 VAL A 17 6.732 1.043 -6.010 1.00 24.35 C ATOM 245 CG2 VAL A 17 4.344 1.018 -5.258 1.00 35.11 C ATOM 0 H VAL A 17 4.372 -0.319 -3.072 1.00 71.42 H new ATOM 0 HA VAL A 17 5.736 -1.431 -5.292 1.00 1.43 H new ATOM 0 HB VAL A 17 6.060 1.313 -4.010 1.00 43.14 H new ATOM 0 HG11 VAL A 17 6.606 2.090 -6.285 1.00 24.35 H new ATOM 0 HG12 VAL A 17 7.761 0.873 -5.692 1.00 24.35 H new ATOM 0 HG13 VAL A 17 6.509 0.413 -6.871 1.00 24.35 H new ATOM 0 HG21 VAL A 17 4.274 2.062 -5.562 1.00 35.11 H new ATOM 0 HG22 VAL A 17 4.042 0.377 -6.086 1.00 35.11 H new ATOM 0 HG23 VAL A 17 3.687 0.844 -4.406 1.00 35.11 H new ATOM 255 N SER A 18 7.421 -1.189 -2.563 1.00 3.11 N ATOM 256 CA SER A 18 8.662 -1.444 -1.873 1.00 13.33 C ATOM 257 C SER A 18 9.024 -2.944 -1.950 1.00 34.44 C ATOM 258 O SER A 18 10.113 -3.350 -1.567 1.00 42.12 O ATOM 259 CB SER A 18 8.503 -1.028 -0.409 1.00 50.14 C ATOM 260 OG SER A 18 9.729 -1.074 0.282 1.00 13.15 O ATOM 0 H SER A 18 6.615 -1.114 -1.943 1.00 3.11 H new ATOM 0 HA SER A 18 9.462 -0.872 -2.343 1.00 13.33 H new ATOM 0 HB2 SER A 18 8.095 -0.018 -0.360 1.00 50.14 H new ATOM 0 HB3 SER A 18 7.785 -1.686 0.080 1.00 50.14 H new ATOM 0 HG SER A 18 9.590 -0.801 1.213 1.00 13.15 H new ATOM 266 N GLY A 19 8.092 -3.759 -2.418 1.00 63.40 N ATOM 267 CA GLY A 19 8.341 -5.182 -2.519 1.00 32.21 C ATOM 268 C GLY A 19 7.842 -5.941 -1.311 1.00 22.21 C ATOM 269 O GLY A 19 7.875 -7.172 -1.281 1.00 35.30 O ATOM 0 H GLY A 19 7.168 -3.461 -2.730 1.00 63.40 H new ATOM 0 HA2 GLY A 19 7.856 -5.570 -3.415 1.00 32.21 H new ATOM 0 HA3 GLY A 19 9.411 -5.354 -2.636 1.00 32.21 H new ATOM 273 N LYS A 20 7.389 -5.217 -0.307 1.00 44.32 N ATOM 274 CA LYS A 20 6.818 -5.850 0.859 1.00 10.34 C ATOM 275 C LYS A 20 5.346 -6.106 0.665 1.00 12.21 C ATOM 276 O LYS A 20 4.623 -5.262 0.151 1.00 52.03 O ATOM 277 CB LYS A 20 7.106 -5.106 2.186 1.00 3.30 C ATOM 278 CG LYS A 20 8.449 -5.478 2.863 1.00 24.54 C ATOM 279 CD LYS A 20 9.686 -5.148 2.036 1.00 0.30 C ATOM 280 CE LYS A 20 9.882 -3.658 1.895 1.00 45.21 C ATOM 281 NZ LYS A 20 11.079 -3.330 1.101 1.00 63.03 N ATOM 0 H LYS A 20 7.406 -4.198 -0.277 1.00 44.32 H new ATOM 0 HA LYS A 20 7.325 -6.810 0.960 1.00 10.34 H new ATOM 0 HB2 LYS A 20 7.098 -4.033 1.994 1.00 3.30 H new ATOM 0 HB3 LYS A 20 6.295 -5.311 2.884 1.00 3.30 H new ATOM 0 HG2 LYS A 20 8.516 -4.957 3.818 1.00 24.54 H new ATOM 0 HG3 LYS A 20 8.448 -6.546 3.082 1.00 24.54 H new ATOM 0 HD2 LYS A 20 10.566 -5.588 2.506 1.00 0.30 H new ATOM 0 HD3 LYS A 20 9.594 -5.598 1.048 1.00 0.30 H new ATOM 0 HE2 LYS A 20 9.003 -3.220 1.423 1.00 45.21 H new ATOM 0 HE3 LYS A 20 9.969 -3.209 2.884 1.00 45.21 H new ATOM 0 HZ1 LYS A 20 10.924 -2.437 0.592 1.00 63.03 H new ATOM 0 HZ2 LYS A 20 11.898 -3.230 1.734 1.00 63.03 H new ATOM 0 HZ3 LYS A 20 11.261 -4.092 0.417 1.00 63.03 H new ATOM 295 N THR A 21 4.927 -7.266 1.035 1.00 64.22 N ATOM 296 CA THR A 21 3.574 -7.687 0.858 1.00 61.43 C ATOM 297 C THR A 21 2.808 -7.562 2.163 1.00 1.02 C ATOM 298 O THR A 21 3.273 -8.045 3.205 1.00 13.04 O ATOM 299 CB THR A 21 3.562 -9.154 0.410 1.00 23.51 C ATOM 300 OG1 THR A 21 4.264 -9.954 1.388 1.00 14.52 O ATOM 301 CG2 THR A 21 4.247 -9.314 -0.935 1.00 13.24 C ATOM 0 H THR A 21 5.524 -7.965 1.478 1.00 64.22 H new ATOM 0 HA THR A 21 3.100 -7.057 0.105 1.00 61.43 H new ATOM 0 HB THR A 21 2.526 -9.480 0.319 1.00 23.51 H new ATOM 0 HG1 THR A 21 4.082 -9.607 2.286 1.00 14.52 H new ATOM 0 HG21 THR A 21 4.226 -10.363 -1.232 1.00 13.24 H new ATOM 0 HG22 THR A 21 3.726 -8.715 -1.682 1.00 13.24 H new ATOM 0 HG23 THR A 21 5.282 -8.979 -0.859 1.00 13.24 H new ATOM 309 N LYS A 22 1.667 -6.940 2.131 1.00 41.12 N ATOM 310 CA LYS A 22 0.872 -6.824 3.325 1.00 23.42 C ATOM 311 C LYS A 22 -0.598 -6.996 3.021 1.00 24.11 C ATOM 312 O LYS A 22 -1.106 -6.490 2.027 1.00 24.01 O ATOM 313 CB LYS A 22 1.186 -5.529 4.082 1.00 51.31 C ATOM 314 CG LYS A 22 0.336 -5.314 5.319 1.00 1.40 C ATOM 315 CD LYS A 22 0.887 -4.208 6.203 1.00 14.00 C ATOM 316 CE LYS A 22 2.159 -4.646 6.911 1.00 14.02 C ATOM 317 NZ LYS A 22 1.911 -5.823 7.787 1.00 72.04 N ATOM 0 H LYS A 22 1.265 -6.507 1.300 1.00 41.12 H new ATOM 0 HA LYS A 22 1.142 -7.638 3.997 1.00 23.42 H new ATOM 0 HB2 LYS A 22 2.236 -5.536 4.373 1.00 51.31 H new ATOM 0 HB3 LYS A 22 1.048 -4.684 3.408 1.00 51.31 H new ATOM 0 HG2 LYS A 22 -0.683 -5.066 5.020 1.00 1.40 H new ATOM 0 HG3 LYS A 22 0.284 -6.242 5.889 1.00 1.40 H new ATOM 0 HD2 LYS A 22 1.091 -3.324 5.598 1.00 14.00 H new ATOM 0 HD3 LYS A 22 0.138 -3.923 6.941 1.00 14.00 H new ATOM 0 HE2 LYS A 22 2.922 -4.893 6.173 1.00 14.02 H new ATOM 0 HE3 LYS A 22 2.548 -3.821 7.508 1.00 14.02 H new ATOM 0 HZ1 LYS A 22 2.650 -5.874 8.517 1.00 72.04 H new ATOM 0 HZ2 LYS A 22 0.981 -5.727 8.242 1.00 72.04 H new ATOM 0 HZ3 LYS A 22 1.929 -6.691 7.215 1.00 72.04 H new ATOM 331 N GLU A 23 -1.263 -7.703 3.873 1.00 21.34 N ATOM 332 CA GLU A 23 -2.613 -8.077 3.662 1.00 43.42 C ATOM 333 C GLU A 23 -3.463 -7.553 4.815 1.00 71.01 C ATOM 334 O GLU A 23 -3.030 -7.563 5.964 1.00 20.33 O ATOM 335 CB GLU A 23 -2.642 -9.604 3.611 1.00 30.11 C ATOM 336 CG GLU A 23 -3.886 -10.234 3.055 1.00 2.33 C ATOM 337 CD GLU A 23 -3.778 -11.737 3.091 1.00 70.33 C ATOM 338 OE1 GLU A 23 -3.040 -12.311 2.279 1.00 52.54 O ATOM 339 OE2 GLU A 23 -4.399 -12.363 3.988 1.00 50.22 O ATOM 0 H GLU A 23 -0.871 -8.041 4.752 1.00 21.34 H new ATOM 0 HA GLU A 23 -3.013 -7.661 2.737 1.00 43.42 H new ATOM 0 HB2 GLU A 23 -1.794 -9.941 3.015 1.00 30.11 H new ATOM 0 HB3 GLU A 23 -2.492 -9.982 4.622 1.00 30.11 H new ATOM 0 HG2 GLU A 23 -4.753 -9.912 3.632 1.00 2.33 H new ATOM 0 HG3 GLU A 23 -4.043 -9.899 2.030 1.00 2.33 H new ATOM 346 N PHE A 24 -4.641 -7.087 4.498 1.00 75.21 N ATOM 347 CA PHE A 24 -5.594 -6.576 5.475 1.00 24.44 C ATOM 348 C PHE A 24 -6.981 -6.935 5.069 1.00 55.31 C ATOM 349 O PHE A 24 -7.244 -7.266 3.904 1.00 72.54 O ATOM 350 CB PHE A 24 -5.565 -5.055 5.656 1.00 63.42 C ATOM 351 CG PHE A 24 -4.426 -4.450 6.397 1.00 32.12 C ATOM 352 CD1 PHE A 24 -4.482 -4.325 7.773 1.00 72.23 C ATOM 353 CD2 PHE A 24 -3.338 -3.952 5.731 1.00 54.34 C ATOM 354 CE1 PHE A 24 -3.467 -3.718 8.467 1.00 34.44 C ATOM 355 CE2 PHE A 24 -2.313 -3.348 6.418 1.00 33.53 C ATOM 356 CZ PHE A 24 -2.375 -3.226 7.787 1.00 45.33 C ATOM 0 H PHE A 24 -4.982 -7.047 3.537 1.00 75.21 H new ATOM 0 HA PHE A 24 -5.298 -7.035 6.418 1.00 24.44 H new ATOM 0 HB2 PHE A 24 -5.593 -4.603 4.665 1.00 63.42 H new ATOM 0 HB3 PHE A 24 -6.484 -4.764 6.165 1.00 63.42 H new ATOM 0 HD1 PHE A 24 -5.337 -4.711 8.308 1.00 72.23 H new ATOM 0 HD2 PHE A 24 -3.285 -4.035 4.655 1.00 54.34 H new ATOM 0 HE1 PHE A 24 -3.524 -3.626 9.542 1.00 34.44 H new ATOM 0 HE2 PHE A 24 -1.456 -2.968 5.882 1.00 33.53 H new ATOM 0 HZ PHE A 24 -1.571 -2.747 8.326 1.00 45.33 H new ATOM 366 N LEU A 25 -7.856 -6.897 6.012 1.00 43.54 N ATOM 367 CA LEU A 25 -9.230 -7.111 5.766 1.00 13.35 C ATOM 368 C LEU A 25 -9.814 -5.792 5.272 1.00 33.25 C ATOM 369 O LEU A 25 -9.664 -4.756 5.934 1.00 32.50 O ATOM 370 CB LEU A 25 -9.910 -7.503 7.074 1.00 51.32 C ATOM 371 CG LEU A 25 -11.335 -7.972 6.973 1.00 55.03 C ATOM 372 CD1 LEU A 25 -11.405 -9.243 6.151 1.00 14.14 C ATOM 373 CD2 LEU A 25 -11.910 -8.186 8.360 1.00 50.54 C ATOM 0 H LEU A 25 -7.629 -6.713 6.989 1.00 43.54 H new ATOM 0 HA LEU A 25 -9.380 -7.901 5.030 1.00 13.35 H new ATOM 0 HB2 LEU A 25 -9.323 -8.294 7.541 1.00 51.32 H new ATOM 0 HB3 LEU A 25 -9.880 -6.645 7.745 1.00 51.32 H new ATOM 0 HG LEU A 25 -11.931 -7.210 6.472 1.00 55.03 H new ATOM 0 HD11 LEU A 25 -12.441 -9.576 6.083 1.00 14.14 H new ATOM 0 HD12 LEU A 25 -11.019 -9.051 5.150 1.00 14.14 H new ATOM 0 HD13 LEU A 25 -10.805 -10.018 6.628 1.00 14.14 H new ATOM 0 HD21 LEU A 25 -12.942 -8.526 8.277 1.00 50.54 H new ATOM 0 HD22 LEU A 25 -11.322 -8.938 8.886 1.00 50.54 H new ATOM 0 HD23 LEU A 25 -11.880 -7.248 8.915 1.00 50.54 H new ATOM 385 N PHE A 26 -10.453 -5.814 4.139 1.00 61.14 N ATOM 386 CA PHE A 26 -11.068 -4.622 3.597 1.00 61.41 C ATOM 387 C PHE A 26 -12.472 -4.925 3.163 1.00 42.22 C ATOM 388 O PHE A 26 -12.904 -6.079 3.191 1.00 53.31 O ATOM 389 CB PHE A 26 -10.252 -4.005 2.431 1.00 43.23 C ATOM 390 CG PHE A 26 -8.919 -3.409 2.836 1.00 45.21 C ATOM 391 CD1 PHE A 26 -8.863 -2.161 3.443 1.00 61.25 C ATOM 392 CD2 PHE A 26 -7.731 -4.083 2.609 1.00 34.11 C ATOM 393 CE1 PHE A 26 -7.660 -1.611 3.817 1.00 4.25 C ATOM 394 CE2 PHE A 26 -6.534 -3.533 2.980 1.00 43.32 C ATOM 395 CZ PHE A 26 -6.493 -2.297 3.588 1.00 2.25 C ATOM 0 H PHE A 26 -10.566 -6.648 3.563 1.00 61.14 H new ATOM 0 HA PHE A 26 -11.086 -3.874 4.390 1.00 61.41 H new ATOM 0 HB2 PHE A 26 -10.077 -4.776 1.681 1.00 43.23 H new ATOM 0 HB3 PHE A 26 -10.852 -3.229 1.956 1.00 43.23 H new ATOM 0 HD1 PHE A 26 -9.777 -1.615 3.624 1.00 61.25 H new ATOM 0 HD2 PHE A 26 -7.749 -5.053 2.134 1.00 34.11 H new ATOM 0 HE1 PHE A 26 -7.633 -0.641 4.290 1.00 4.25 H new ATOM 0 HE2 PHE A 26 -5.616 -4.071 2.795 1.00 43.32 H new ATOM 0 HZ PHE A 26 -5.546 -1.869 3.883 1.00 2.25 H new ATOM 405 N SER A 27 -13.194 -3.928 2.792 1.00 31.42 N ATOM 406 CA SER A 27 -14.523 -4.135 2.345 1.00 55.25 C ATOM 407 C SER A 27 -14.506 -4.109 0.842 1.00 10.32 C ATOM 408 O SER A 27 -13.669 -3.422 0.252 1.00 53.42 O ATOM 409 CB SER A 27 -15.462 -3.049 2.904 1.00 15.33 C ATOM 410 OG SER A 27 -15.081 -1.745 2.479 1.00 60.34 O ATOM 0 H SER A 27 -12.884 -2.956 2.790 1.00 31.42 H new ATOM 0 HA SER A 27 -14.898 -5.095 2.700 1.00 55.25 H new ATOM 0 HB2 SER A 27 -16.483 -3.252 2.581 1.00 15.33 H new ATOM 0 HB3 SER A 27 -15.457 -3.091 3.993 1.00 15.33 H new ATOM 0 HG SER A 27 -14.175 -1.549 2.797 1.00 60.34 H new ATOM 416 N PRO A 28 -15.391 -4.852 0.173 1.00 51.33 N ATOM 417 CA PRO A 28 -15.464 -4.832 -1.283 1.00 44.54 C ATOM 418 C PRO A 28 -15.819 -3.429 -1.828 1.00 72.13 C ATOM 419 O PRO A 28 -15.686 -3.162 -3.030 1.00 63.31 O ATOM 420 CB PRO A 28 -16.547 -5.871 -1.608 1.00 53.11 C ATOM 421 CG PRO A 28 -17.333 -6.010 -0.352 1.00 65.22 C ATOM 422 CD PRO A 28 -16.356 -5.808 0.759 1.00 3.25 C ATOM 0 HA PRO A 28 -14.509 -5.066 -1.752 1.00 44.54 H new ATOM 0 HB2 PRO A 28 -17.177 -5.540 -2.434 1.00 53.11 H new ATOM 0 HB3 PRO A 28 -16.106 -6.822 -1.905 1.00 53.11 H new ATOM 0 HG2 PRO A 28 -18.134 -5.273 -0.308 1.00 65.22 H new ATOM 0 HG3 PRO A 28 -17.800 -6.993 -0.289 1.00 65.22 H new ATOM 0 HD2 PRO A 28 -16.835 -5.404 1.651 1.00 3.25 H new ATOM 0 HD3 PRO A 28 -15.875 -6.742 1.050 1.00 3.25 H new ATOM 430 N ASN A 29 -16.241 -2.542 -0.920 1.00 63.12 N ATOM 431 CA ASN A 29 -16.567 -1.159 -1.243 1.00 42.44 C ATOM 432 C ASN A 29 -15.296 -0.299 -1.348 1.00 51.03 C ATOM 433 O ASN A 29 -15.300 0.727 -2.015 1.00 23.04 O ATOM 434 CB ASN A 29 -17.521 -0.574 -0.176 1.00 23.31 C ATOM 435 CG ASN A 29 -17.900 0.893 -0.422 1.00 3.21 C ATOM 436 OD1 ASN A 29 -18.864 1.182 -1.130 1.00 34.41 O ATOM 437 ND2 ASN A 29 -17.181 1.815 0.185 1.00 62.03 N ATOM 0 H ASN A 29 -16.365 -2.771 0.066 1.00 63.12 H new ATOM 0 HA ASN A 29 -17.065 -1.146 -2.213 1.00 42.44 H new ATOM 0 HB2 ASN A 29 -18.430 -1.174 -0.147 1.00 23.31 H new ATOM 0 HB3 ASN A 29 -17.051 -0.659 0.804 1.00 23.31 H new ATOM 0 HD21 ASN A 29 -17.418 2.801 0.075 1.00 62.03 H new ATOM 0 HD22 ASN A 29 -16.388 1.543 0.765 1.00 62.03 H new ATOM 444 N ASP A 30 -14.207 -0.732 -0.700 1.00 35.13 N ATOM 445 CA ASP A 30 -12.934 0.038 -0.709 1.00 24.52 C ATOM 446 C ASP A 30 -12.304 0.077 -2.112 1.00 35.31 C ATOM 447 O ASP A 30 -12.565 -0.798 -2.948 1.00 62.12 O ATOM 448 CB ASP A 30 -11.894 -0.477 0.332 1.00 63.10 C ATOM 449 CG ASP A 30 -12.291 -0.285 1.798 1.00 25.12 C ATOM 450 OD1 ASP A 30 -12.315 0.879 2.284 1.00 52.12 O ATOM 451 OD2 ASP A 30 -12.550 -1.294 2.506 1.00 62.33 O ATOM 0 H ASP A 30 -14.170 -1.600 -0.166 1.00 35.13 H new ATOM 0 HA ASP A 30 -13.206 1.052 -0.415 1.00 24.52 H new ATOM 0 HB2 ASP A 30 -11.721 -1.539 0.155 1.00 63.10 H new ATOM 0 HB3 ASP A 30 -10.947 0.033 0.159 1.00 63.10 H new ATOM 456 N SER A 31 -11.512 1.100 -2.384 1.00 21.13 N ATOM 457 CA SER A 31 -10.862 1.232 -3.667 1.00 13.20 C ATOM 458 C SER A 31 -9.409 0.728 -3.592 1.00 54.41 C ATOM 459 O SER A 31 -8.628 1.214 -2.796 1.00 62.23 O ATOM 460 CB SER A 31 -10.889 2.683 -4.100 1.00 44.40 C ATOM 461 OG SER A 31 -12.219 3.187 -4.163 1.00 11.21 O ATOM 0 H SER A 31 -11.306 1.852 -1.727 1.00 21.13 H new ATOM 0 HA SER A 31 -11.397 0.626 -4.399 1.00 13.20 H new ATOM 0 HB2 SER A 31 -10.305 3.282 -3.402 1.00 44.40 H new ATOM 0 HB3 SER A 31 -10.416 2.780 -5.077 1.00 44.40 H new ATOM 0 HG SER A 31 -12.200 4.166 -4.126 1.00 11.21 H new ATOM 467 N ALA A 32 -9.077 -0.222 -4.454 1.00 43.32 N ATOM 468 CA ALA A 32 -7.754 -0.901 -4.506 1.00 41.14 C ATOM 469 C ALA A 32 -6.540 0.054 -4.438 1.00 54.14 C ATOM 470 O ALA A 32 -5.709 -0.057 -3.535 1.00 61.15 O ATOM 471 CB ALA A 32 -7.691 -1.682 -5.790 1.00 24.02 C ATOM 0 H ALA A 32 -9.725 -0.564 -5.163 1.00 43.32 H new ATOM 0 HA ALA A 32 -7.683 -1.534 -3.622 1.00 41.14 H new ATOM 0 HB1 ALA A 32 -6.731 -2.193 -5.858 1.00 24.02 H new ATOM 0 HB2 ALA A 32 -8.495 -2.417 -5.808 1.00 24.02 H new ATOM 0 HB3 ALA A 32 -7.801 -1.002 -6.635 1.00 24.02 H new ATOM 477 N SER A 33 -6.440 0.971 -5.389 1.00 72.34 N ATOM 478 CA SER A 33 -5.289 1.870 -5.482 1.00 34.11 C ATOM 479 C SER A 33 -5.239 2.845 -4.293 1.00 63.41 C ATOM 480 O SER A 33 -4.175 3.295 -3.885 1.00 34.44 O ATOM 481 CB SER A 33 -5.358 2.613 -6.803 1.00 14.40 C ATOM 482 OG SER A 33 -5.586 1.689 -7.857 1.00 75.13 O ATOM 0 H SER A 33 -7.144 1.116 -6.113 1.00 72.34 H new ATOM 0 HA SER A 33 -4.370 1.285 -5.443 1.00 34.11 H new ATOM 0 HB2 SER A 33 -6.158 3.353 -6.775 1.00 14.40 H new ATOM 0 HB3 SER A 33 -4.429 3.155 -6.976 1.00 14.40 H new ATOM 0 HG SER A 33 -5.921 2.167 -8.644 1.00 75.13 H new ATOM 488 N ASP A 34 -6.400 3.138 -3.747 1.00 4.11 N ATOM 489 CA ASP A 34 -6.532 3.975 -2.554 1.00 70.14 C ATOM 490 C ASP A 34 -5.953 3.196 -1.372 1.00 65.40 C ATOM 491 O ASP A 34 -5.126 3.701 -0.608 1.00 42.11 O ATOM 492 CB ASP A 34 -8.031 4.267 -2.333 1.00 44.21 C ATOM 493 CG ASP A 34 -8.337 5.160 -1.162 1.00 44.53 C ATOM 494 OD1 ASP A 34 -8.276 6.410 -1.311 1.00 41.51 O ATOM 495 OD2 ASP A 34 -8.691 4.631 -0.083 1.00 2.20 O ATOM 0 H ASP A 34 -7.291 2.804 -4.115 1.00 4.11 H new ATOM 0 HA ASP A 34 -5.999 4.920 -2.661 1.00 70.14 H new ATOM 0 HB2 ASP A 34 -8.434 4.726 -3.236 1.00 44.21 H new ATOM 0 HB3 ASP A 34 -8.554 3.321 -2.196 1.00 44.21 H new ATOM 500 N ILE A 35 -6.357 1.939 -1.275 1.00 41.32 N ATOM 501 CA ILE A 35 -5.885 1.024 -0.247 1.00 62.55 C ATOM 502 C ILE A 35 -4.344 0.902 -0.257 1.00 4.12 C ATOM 503 O ILE A 35 -3.724 0.771 0.796 1.00 24.11 O ATOM 504 CB ILE A 35 -6.489 -0.377 -0.438 1.00 73.23 C ATOM 505 CG1 ILE A 35 -8.003 -0.344 -0.301 1.00 51.44 C ATOM 506 CG2 ILE A 35 -5.907 -1.324 0.562 1.00 11.23 C ATOM 507 CD1 ILE A 35 -8.646 -1.685 -0.535 1.00 1.22 C ATOM 0 H ILE A 35 -7.031 1.520 -1.916 1.00 41.32 H new ATOM 0 HA ILE A 35 -6.205 1.437 0.710 1.00 62.55 H new ATOM 0 HB ILE A 35 -6.246 -0.718 -1.444 1.00 73.23 H new ATOM 0 HG12 ILE A 35 -8.264 0.008 0.697 1.00 51.44 H new ATOM 0 HG13 ILE A 35 -8.411 0.376 -1.010 1.00 51.44 H new ATOM 0 HG21 ILE A 35 -6.340 -2.314 0.420 1.00 11.23 H new ATOM 0 HG22 ILE A 35 -4.827 -1.377 0.427 1.00 11.23 H new ATOM 0 HG23 ILE A 35 -6.129 -0.972 1.569 1.00 11.23 H new ATOM 0 HD11 ILE A 35 -9.726 -1.595 -0.423 1.00 1.22 H new ATOM 0 HD12 ILE A 35 -8.413 -2.029 -1.543 1.00 1.22 H new ATOM 0 HD13 ILE A 35 -8.265 -2.403 0.191 1.00 1.22 H new ATOM 519 N ALA A 36 -3.746 0.937 -1.444 1.00 23.30 N ATOM 520 CA ALA A 36 -2.293 0.895 -1.608 1.00 42.11 C ATOM 521 C ALA A 36 -1.574 1.934 -0.728 1.00 72.32 C ATOM 522 O ALA A 36 -0.518 1.655 -0.177 1.00 55.42 O ATOM 523 CB ALA A 36 -1.924 1.109 -3.066 1.00 40.23 C ATOM 0 H ALA A 36 -4.257 0.996 -2.325 1.00 23.30 H new ATOM 0 HA ALA A 36 -1.962 -0.092 -1.285 1.00 42.11 H new ATOM 0 HB1 ALA A 36 -0.840 1.076 -3.176 1.00 40.23 H new ATOM 0 HB2 ALA A 36 -2.375 0.325 -3.674 1.00 40.23 H new ATOM 0 HB3 ALA A 36 -2.292 2.080 -3.396 1.00 40.23 H new ATOM 529 N LYS A 37 -2.171 3.110 -0.569 1.00 25.04 N ATOM 530 CA LYS A 37 -1.580 4.169 0.237 1.00 25.33 C ATOM 531 C LYS A 37 -1.719 3.746 1.714 1.00 30.50 C ATOM 532 O LYS A 37 -0.771 3.849 2.515 1.00 63.11 O ATOM 533 CB LYS A 37 -2.366 5.472 -0.046 1.00 50.14 C ATOM 534 CG LYS A 37 -1.763 6.825 0.425 1.00 4.01 C ATOM 535 CD LYS A 37 -1.534 6.914 1.934 1.00 44.13 C ATOM 536 CE LYS A 37 -1.054 8.295 2.403 1.00 54.45 C ATOM 537 NZ LYS A 37 -2.096 9.350 2.302 1.00 55.43 N ATOM 0 H LYS A 37 -3.068 3.353 -0.990 1.00 25.04 H new ATOM 0 HA LYS A 37 -0.528 4.336 0.005 1.00 25.33 H new ATOM 0 HB2 LYS A 37 -2.522 5.537 -1.123 1.00 50.14 H new ATOM 0 HB3 LYS A 37 -3.350 5.371 0.413 1.00 50.14 H new ATOM 0 HG2 LYS A 37 -0.814 6.985 -0.086 1.00 4.01 H new ATOM 0 HG3 LYS A 37 -2.429 7.633 0.121 1.00 4.01 H new ATOM 0 HD2 LYS A 37 -2.462 6.667 2.449 1.00 44.13 H new ATOM 0 HD3 LYS A 37 -0.798 6.165 2.226 1.00 44.13 H new ATOM 0 HE2 LYS A 37 -0.720 8.223 3.438 1.00 54.45 H new ATOM 0 HE3 LYS A 37 -0.189 8.591 1.809 1.00 54.45 H new ATOM 0 HZ1 LYS A 37 -1.707 10.255 2.634 1.00 55.43 H new ATOM 0 HZ2 LYS A 37 -2.399 9.445 1.312 1.00 55.43 H new ATOM 0 HZ3 LYS A 37 -2.913 9.088 2.890 1.00 55.43 H new ATOM 551 N HIS A 38 -2.909 3.224 2.020 1.00 40.25 N ATOM 552 CA HIS A 38 -3.316 2.759 3.360 1.00 42.24 C ATOM 553 C HIS A 38 -2.342 1.712 3.899 1.00 13.14 C ATOM 554 O HIS A 38 -1.810 1.831 5.008 1.00 72.41 O ATOM 555 CB HIS A 38 -4.731 2.142 3.257 1.00 5.12 C ATOM 556 CG HIS A 38 -5.312 1.598 4.530 1.00 24.41 C ATOM 557 ND1 HIS A 38 -4.923 0.397 5.099 1.00 63.55 N ATOM 558 CD2 HIS A 38 -6.264 2.084 5.325 1.00 12.44 C ATOM 559 CE1 HIS A 38 -5.627 0.189 6.187 1.00 23.23 C ATOM 560 NE2 HIS A 38 -6.441 1.194 6.345 1.00 23.43 N ATOM 0 H HIS A 38 -3.644 3.107 1.323 1.00 40.25 H new ATOM 0 HA HIS A 38 -3.314 3.606 4.046 1.00 42.24 H new ATOM 0 HB2 HIS A 38 -5.409 2.902 2.869 1.00 5.12 H new ATOM 0 HB3 HIS A 38 -4.701 1.337 2.523 1.00 5.12 H new ATOM 0 HD2 HIS A 38 -6.798 3.013 5.188 1.00 12.44 H new ATOM 0 HE1 HIS A 38 -5.546 -0.668 6.839 1.00 23.23 H new ATOM 0 HE2 HIS A 38 -7.106 1.299 7.111 1.00 23.43 H new ATOM 569 N VAL A 39 -2.138 0.690 3.112 1.00 25.23 N ATOM 570 CA VAL A 39 -1.294 -0.425 3.472 1.00 64.21 C ATOM 571 C VAL A 39 0.179 -0.052 3.493 1.00 13.30 C ATOM 572 O VAL A 39 0.955 -0.600 4.272 1.00 44.04 O ATOM 573 CB VAL A 39 -1.552 -1.629 2.563 1.00 4.32 C ATOM 574 CG1 VAL A 39 -2.986 -2.098 2.762 1.00 5.33 C ATOM 575 CG2 VAL A 39 -1.337 -1.250 1.125 1.00 2.34 C ATOM 0 H VAL A 39 -2.559 0.604 2.187 1.00 25.23 H new ATOM 0 HA VAL A 39 -1.560 -0.709 4.490 1.00 64.21 H new ATOM 0 HB VAL A 39 -0.860 -2.431 2.818 1.00 4.32 H new ATOM 0 HG11 VAL A 39 -3.181 -2.956 2.119 1.00 5.33 H new ATOM 0 HG12 VAL A 39 -3.134 -2.384 3.803 1.00 5.33 H new ATOM 0 HG13 VAL A 39 -3.672 -1.290 2.507 1.00 5.33 H new ATOM 0 HG21 VAL A 39 -1.524 -2.115 0.489 1.00 2.34 H new ATOM 0 HG22 VAL A 39 -2.022 -0.446 0.854 1.00 2.34 H new ATOM 0 HG23 VAL A 39 -0.309 -0.913 0.987 1.00 2.34 H new ATOM 585 N TYR A 40 0.555 0.878 2.635 1.00 1.54 N ATOM 586 CA TYR A 40 1.936 1.313 2.540 1.00 31.40 C ATOM 587 C TYR A 40 2.372 2.142 3.750 1.00 41.42 C ATOM 588 O TYR A 40 3.423 1.861 4.353 1.00 15.22 O ATOM 589 CB TYR A 40 2.162 2.102 1.237 1.00 43.11 C ATOM 590 CG TYR A 40 3.585 2.578 1.007 1.00 22.11 C ATOM 591 CD1 TYR A 40 4.579 1.693 0.613 1.00 54.22 C ATOM 592 CD2 TYR A 40 3.927 3.914 1.164 1.00 60.40 C ATOM 593 CE1 TYR A 40 5.872 2.125 0.386 1.00 54.25 C ATOM 594 CE2 TYR A 40 5.218 4.350 0.939 1.00 74.41 C ATOM 595 CZ TYR A 40 6.184 3.456 0.553 1.00 51.32 C ATOM 596 OH TYR A 40 7.467 3.896 0.317 1.00 34.00 O ATOM 0 H TYR A 40 -0.080 1.349 1.991 1.00 1.54 H new ATOM 0 HA TYR A 40 2.555 0.416 2.528 1.00 31.40 H new ATOM 0 HB2 TYR A 40 1.865 1.475 0.396 1.00 43.11 H new ATOM 0 HB3 TYR A 40 1.502 2.969 1.237 1.00 43.11 H new ATOM 0 HD1 TYR A 40 4.338 0.649 0.482 1.00 54.22 H new ATOM 0 HD2 TYR A 40 3.172 4.624 1.467 1.00 60.40 H new ATOM 0 HE1 TYR A 40 6.633 1.423 0.079 1.00 54.25 H new ATOM 0 HE2 TYR A 40 5.467 5.393 1.067 1.00 74.41 H new ATOM 0 HH TYR A 40 7.517 4.861 0.480 1.00 34.00 H new ATOM 870 N LEU A 58 -2.547 6.263 -9.933 1.00 12.54 N ATOM 871 CA LEU A 58 -3.258 5.199 -9.263 1.00 70.21 C ATOM 872 C LEU A 58 -3.457 4.080 -10.246 1.00 5.10 C ATOM 873 O LEU A 58 -4.158 4.252 -11.247 1.00 4.03 O ATOM 874 CB LEU A 58 -4.629 5.687 -8.761 1.00 15.42 C ATOM 875 CG LEU A 58 -4.634 6.783 -7.693 1.00 0.52 C ATOM 876 CD1 LEU A 58 -6.062 7.193 -7.375 1.00 12.35 C ATOM 877 CD2 LEU A 58 -3.935 6.302 -6.426 1.00 41.41 C ATOM 0 HA LEU A 58 -2.681 4.863 -8.402 1.00 70.21 H new ATOM 0 HB2 LEU A 58 -5.193 6.050 -9.620 1.00 15.42 H new ATOM 0 HB3 LEU A 58 -5.169 4.827 -8.365 1.00 15.42 H new ATOM 0 HG LEU A 58 -4.092 7.646 -8.081 1.00 0.52 H new ATOM 0 HD11 LEU A 58 -6.056 7.973 -6.614 1.00 12.35 H new ATOM 0 HD12 LEU A 58 -6.542 7.571 -8.278 1.00 12.35 H new ATOM 0 HD13 LEU A 58 -6.615 6.330 -7.005 1.00 12.35 H new ATOM 0 HD21 LEU A 58 -3.949 7.096 -5.679 1.00 41.41 H new ATOM 0 HD22 LEU A 58 -4.453 5.426 -6.035 1.00 41.41 H new ATOM 0 HD23 LEU A 58 -2.903 6.040 -6.657 1.00 41.41 H new ATOM 889 N ARG A 59 -2.814 2.967 -10.009 1.00 44.03 N ATOM 890 CA ARG A 59 -2.899 1.827 -10.897 1.00 11.22 C ATOM 891 C ARG A 59 -2.886 0.552 -10.080 1.00 24.12 C ATOM 892 O ARG A 59 -2.175 0.451 -9.074 1.00 31.11 O ATOM 893 CB ARG A 59 -1.712 1.825 -11.853 1.00 50.31 C ATOM 894 CG ARG A 59 -1.623 3.038 -12.755 1.00 55.00 C ATOM 895 CD ARG A 59 -0.344 3.053 -13.565 1.00 34.43 C ATOM 896 NE ARG A 59 -0.182 4.325 -14.278 1.00 61.04 N ATOM 897 CZ ARG A 59 0.834 4.647 -15.085 1.00 33.33 C ATOM 898 NH1 ARG A 59 1.792 3.766 -15.344 1.00 75.43 N ATOM 899 NH2 ARG A 59 0.885 5.857 -15.632 1.00 34.42 N ATOM 0 H ARG A 59 -2.215 2.821 -9.196 1.00 44.03 H new ATOM 0 HA ARG A 59 -3.823 1.888 -11.471 1.00 11.22 H new ATOM 0 HB2 ARG A 59 -0.794 1.755 -11.270 1.00 50.31 H new ATOM 0 HB3 ARG A 59 -1.765 0.931 -12.474 1.00 50.31 H new ATOM 0 HG2 ARG A 59 -2.479 3.051 -13.430 1.00 55.00 H new ATOM 0 HG3 ARG A 59 -1.680 3.943 -12.151 1.00 55.00 H new ATOM 0 HD2 ARG A 59 0.509 2.892 -12.906 1.00 34.43 H new ATOM 0 HD3 ARG A 59 -0.354 2.231 -14.281 1.00 34.43 H new ATOM 0 HE ARG A 59 -0.910 5.027 -14.146 1.00 61.04 H new ATOM 0 HH11 ARG A 59 1.756 2.836 -14.926 1.00 75.43 H new ATOM 0 HH12 ARG A 59 2.564 4.019 -15.961 1.00 75.43 H new ATOM 0 HH21 ARG A 59 0.150 6.537 -15.436 1.00 34.42 H new ATOM 0 HH22 ARG A 59 1.659 6.106 -16.248 1.00 34.42 H new ATOM 913 N LEU A 60 -3.644 -0.413 -10.507 1.00 41.23 N ATOM 914 CA LEU A 60 -3.748 -1.651 -9.791 1.00 4.43 C ATOM 915 C LEU A 60 -3.545 -2.827 -10.721 1.00 40.51 C ATOM 916 O LEU A 60 -4.100 -2.871 -11.814 1.00 44.51 O ATOM 917 CB LEU A 60 -5.097 -1.700 -9.028 1.00 22.45 C ATOM 918 CG LEU A 60 -6.386 -1.551 -9.860 1.00 22.22 C ATOM 919 CD1 LEU A 60 -6.819 -2.851 -10.514 1.00 34.44 C ATOM 920 CD2 LEU A 60 -7.494 -0.965 -9.049 1.00 64.00 C ATOM 0 H LEU A 60 -4.206 -0.366 -11.357 1.00 41.23 H new ATOM 0 HA LEU A 60 -2.954 -1.716 -9.047 1.00 4.43 H new ATOM 0 HB2 LEU A 60 -5.148 -2.649 -8.494 1.00 22.45 H new ATOM 0 HB3 LEU A 60 -5.088 -0.911 -8.276 1.00 22.45 H new ATOM 0 HG LEU A 60 -6.150 -0.858 -10.667 1.00 22.22 H new ATOM 0 HD11 LEU A 60 -7.732 -2.684 -11.086 1.00 34.44 H new ATOM 0 HD12 LEU A 60 -6.032 -3.203 -11.181 1.00 34.44 H new ATOM 0 HD13 LEU A 60 -7.005 -3.601 -9.745 1.00 34.44 H new ATOM 0 HD21 LEU A 60 -8.388 -0.874 -9.666 1.00 64.00 H new ATOM 0 HD22 LEU A 60 -7.705 -1.614 -8.199 1.00 64.00 H new ATOM 0 HD23 LEU A 60 -7.199 0.021 -8.689 1.00 64.00 H new ATOM 932 N ILE A 61 -2.729 -3.746 -10.307 1.00 52.13 N ATOM 933 CA ILE A 61 -2.452 -4.928 -11.070 1.00 11.31 C ATOM 934 C ILE A 61 -3.099 -6.118 -10.409 1.00 13.53 C ATOM 935 O ILE A 61 -2.796 -6.463 -9.254 1.00 33.25 O ATOM 936 CB ILE A 61 -0.932 -5.157 -11.218 1.00 40.12 C ATOM 937 CG1 ILE A 61 -0.326 -4.038 -12.033 1.00 63.14 C ATOM 938 CG2 ILE A 61 -0.630 -6.500 -11.864 1.00 40.24 C ATOM 939 CD1 ILE A 61 1.185 -4.088 -12.141 1.00 22.41 C ATOM 0 H ILE A 61 -2.229 -3.698 -9.419 1.00 52.13 H new ATOM 0 HA ILE A 61 -2.866 -4.798 -12.070 1.00 11.31 H new ATOM 0 HB ILE A 61 -0.491 -5.163 -10.221 1.00 40.12 H new ATOM 0 HG12 ILE A 61 -0.751 -4.065 -13.037 1.00 63.14 H new ATOM 0 HG13 ILE A 61 -0.615 -3.085 -11.590 1.00 63.14 H new ATOM 0 HG21 ILE A 61 0.449 -6.627 -11.952 1.00 40.24 H new ATOM 0 HG22 ILE A 61 -1.040 -7.300 -11.248 1.00 40.24 H new ATOM 0 HG23 ILE A 61 -1.082 -6.537 -12.855 1.00 40.24 H new ATOM 0 HD11 ILE A 61 1.535 -3.249 -12.742 1.00 22.41 H new ATOM 0 HD12 ILE A 61 1.623 -4.028 -11.145 1.00 22.41 H new ATOM 0 HD13 ILE A 61 1.485 -5.023 -12.614 1.00 22.41 H new ATOM 951 N TYR A 62 -3.956 -6.759 -11.124 1.00 12.24 N ATOM 952 CA TYR A 62 -4.665 -7.865 -10.602 1.00 55.02 C ATOM 953 C TYR A 62 -4.036 -9.130 -11.122 1.00 12.10 C ATOM 954 O TYR A 62 -4.388 -9.625 -12.190 1.00 11.14 O ATOM 955 CB TYR A 62 -6.150 -7.766 -10.971 1.00 23.20 C ATOM 956 CG TYR A 62 -7.062 -8.788 -10.320 1.00 44.40 C ATOM 957 CD1 TYR A 62 -7.247 -8.787 -8.953 1.00 64.15 C ATOM 958 CD2 TYR A 62 -7.751 -9.731 -11.072 1.00 12.32 C ATOM 959 CE1 TYR A 62 -8.082 -9.691 -8.344 1.00 25.45 C ATOM 960 CE2 TYR A 62 -8.600 -10.638 -10.469 1.00 52.54 C ATOM 961 CZ TYR A 62 -8.758 -10.617 -9.103 1.00 44.14 C ATOM 962 OH TYR A 62 -9.619 -11.510 -8.490 1.00 44.22 O ATOM 0 H TYR A 62 -4.183 -6.527 -12.091 1.00 12.24 H new ATOM 0 HA TYR A 62 -4.609 -7.873 -9.513 1.00 55.02 H new ATOM 0 HB2 TYR A 62 -6.505 -6.770 -10.707 1.00 23.20 H new ATOM 0 HB3 TYR A 62 -6.243 -7.861 -12.053 1.00 23.20 H new ATOM 0 HD1 TYR A 62 -6.724 -8.060 -8.349 1.00 64.15 H new ATOM 0 HD2 TYR A 62 -7.621 -9.755 -12.144 1.00 12.32 H new ATOM 0 HE1 TYR A 62 -8.207 -9.675 -7.271 1.00 25.45 H new ATOM 0 HE2 TYR A 62 -9.137 -11.360 -11.067 1.00 52.54 H new ATOM 0 HH TYR A 62 -10.507 -11.104 -8.407 1.00 44.22 H new ATOM 972 N GLN A 63 -2.998 -9.560 -10.401 1.00 41.41 N ATOM 973 CA GLN A 63 -2.259 -10.792 -10.671 1.00 3.55 C ATOM 974 C GLN A 63 -1.603 -10.842 -12.063 1.00 73.44 C ATOM 975 O GLN A 63 -1.218 -11.912 -12.535 1.00 14.45 O ATOM 976 CB GLN A 63 -3.152 -11.987 -10.417 1.00 25.20 C ATOM 977 CG GLN A 63 -3.553 -12.105 -8.959 1.00 63.43 C ATOM 978 CD GLN A 63 -4.573 -13.191 -8.712 1.00 34.03 C ATOM 979 OE1 GLN A 63 -4.224 -14.342 -8.455 1.00 3.12 O ATOM 980 NE2 GLN A 63 -5.830 -12.843 -8.779 1.00 13.13 N ATOM 0 H GLN A 63 -2.641 -9.048 -9.594 1.00 41.41 H new ATOM 0 HA GLN A 63 -1.418 -10.818 -9.978 1.00 3.55 H new ATOM 0 HB2 GLN A 63 -4.048 -11.906 -11.033 1.00 25.20 H new ATOM 0 HB3 GLN A 63 -2.635 -12.896 -10.724 1.00 25.20 H new ATOM 0 HG2 GLN A 63 -2.665 -12.305 -8.359 1.00 63.43 H new ATOM 0 HG3 GLN A 63 -3.958 -11.151 -8.621 1.00 63.43 H new ATOM 0 HE21 GLN A 63 -6.081 -11.878 -8.995 1.00 13.13 H new ATOM 0 HE22 GLN A 63 -6.560 -13.536 -8.616 1.00 13.13 H new ATOM 989 N GLY A 64 -1.444 -9.691 -12.694 1.00 55.21 N ATOM 990 CA GLY A 64 -0.796 -9.649 -13.984 1.00 15.35 C ATOM 991 C GLY A 64 -1.122 -8.398 -14.768 1.00 33.20 C ATOM 992 O GLY A 64 -0.224 -7.683 -15.204 1.00 73.44 O ATOM 0 H GLY A 64 -1.752 -8.787 -12.336 1.00 55.21 H new ATOM 0 HA2 GLY A 64 0.283 -9.713 -13.845 1.00 15.35 H new ATOM 0 HA3 GLY A 64 -1.095 -10.523 -14.563 1.00 15.35 H new ATOM 996 N ARG A 65 -2.394 -8.109 -14.930 1.00 41.24 N ATOM 997 CA ARG A 65 -2.785 -6.949 -15.726 1.00 20.33 C ATOM 998 C ARG A 65 -3.441 -5.884 -14.866 1.00 44.30 C ATOM 999 O ARG A 65 -3.972 -6.185 -13.784 1.00 10.13 O ATOM 1000 CB ARG A 65 -3.716 -7.338 -16.914 1.00 63.31 C ATOM 1001 CG ARG A 65 -5.172 -7.740 -16.580 1.00 63.20 C ATOM 1002 CD ARG A 65 -5.286 -8.956 -15.681 1.00 5.31 C ATOM 1003 NE ARG A 65 -6.687 -9.358 -15.498 1.00 63.12 N ATOM 1004 CZ ARG A 65 -7.117 -10.346 -14.693 1.00 33.44 C ATOM 1005 NH1 ARG A 65 -6.254 -11.052 -13.977 1.00 54.31 N ATOM 1006 NH2 ARG A 65 -8.418 -10.620 -14.613 1.00 25.00 N ATOM 0 H ARG A 65 -3.167 -8.644 -14.534 1.00 41.24 H new ATOM 0 HA ARG A 65 -1.868 -6.537 -16.147 1.00 20.33 H new ATOM 0 HB2 ARG A 65 -3.750 -6.495 -17.604 1.00 63.31 H new ATOM 0 HB3 ARG A 65 -3.252 -8.168 -17.447 1.00 63.31 H new ATOM 0 HG2 ARG A 65 -5.669 -6.898 -16.099 1.00 63.20 H new ATOM 0 HG3 ARG A 65 -5.706 -7.937 -17.510 1.00 63.20 H new ATOM 0 HD2 ARG A 65 -4.722 -9.783 -16.112 1.00 5.31 H new ATOM 0 HD3 ARG A 65 -4.839 -8.737 -14.711 1.00 5.31 H new ATOM 0 HE ARG A 65 -7.393 -8.845 -16.026 1.00 63.12 H new ATOM 0 HH11 ARG A 65 -5.256 -10.848 -14.034 1.00 54.31 H new ATOM 0 HH12 ARG A 65 -6.587 -11.800 -13.369 1.00 54.31 H new ATOM 0 HH21 ARG A 65 -9.087 -10.081 -15.162 1.00 25.00 H new ATOM 0 HH22 ARG A 65 -8.745 -11.369 -14.003 1.00 25.00 H new ATOM 1020 N PHE A 66 -3.396 -4.650 -15.332 1.00 44.41 N ATOM 1021 CA PHE A 66 -4.050 -3.554 -14.649 1.00 23.42 C ATOM 1022 C PHE A 66 -5.533 -3.626 -14.978 1.00 60.14 C ATOM 1023 O PHE A 66 -5.904 -3.633 -16.155 1.00 51.52 O ATOM 1024 CB PHE A 66 -3.510 -2.174 -15.118 1.00 41.33 C ATOM 1025 CG PHE A 66 -2.029 -1.920 -14.935 1.00 33.12 C ATOM 1026 CD1 PHE A 66 -1.536 -1.354 -13.767 1.00 73.24 C ATOM 1027 CD2 PHE A 66 -1.135 -2.208 -15.950 1.00 41.22 C ATOM 1028 CE1 PHE A 66 -0.194 -1.094 -13.624 1.00 72.03 C ATOM 1029 CE2 PHE A 66 0.211 -1.941 -15.808 1.00 64.54 C ATOM 1030 CZ PHE A 66 0.680 -1.383 -14.645 1.00 1.32 C ATOM 0 H PHE A 66 -2.909 -4.382 -16.187 1.00 44.41 H new ATOM 0 HA PHE A 66 -3.860 -3.644 -13.579 1.00 23.42 H new ATOM 0 HB2 PHE A 66 -3.746 -2.059 -16.176 1.00 41.33 H new ATOM 0 HB3 PHE A 66 -4.056 -1.397 -14.584 1.00 41.33 H new ATOM 0 HD1 PHE A 66 -2.215 -1.115 -12.962 1.00 73.24 H new ATOM 0 HD2 PHE A 66 -1.496 -2.649 -16.868 1.00 41.22 H new ATOM 0 HE1 PHE A 66 0.175 -0.661 -12.706 1.00 72.03 H new ATOM 0 HE2 PHE A 66 0.895 -2.171 -16.611 1.00 64.54 H new ATOM 0 HZ PHE A 66 1.733 -1.171 -14.532 1.00 1.32 H new ATOM 1040 N LEU A 67 -6.380 -3.723 -13.970 1.00 54.35 N ATOM 1041 CA LEU A 67 -7.821 -3.769 -14.253 1.00 52.31 C ATOM 1042 C LEU A 67 -8.408 -2.397 -14.529 1.00 44.22 C ATOM 1043 O LEU A 67 -9.144 -2.215 -15.502 1.00 15.42 O ATOM 1044 CB LEU A 67 -8.654 -4.553 -13.222 1.00 51.33 C ATOM 1045 CG LEU A 67 -8.433 -6.076 -13.182 1.00 61.14 C ATOM 1046 CD1 LEU A 67 -9.406 -6.740 -12.217 1.00 20.33 C ATOM 1047 CD2 LEU A 67 -8.575 -6.683 -14.565 1.00 43.33 C ATOM 0 H LEU A 67 -6.121 -3.770 -12.985 1.00 54.35 H new ATOM 0 HA LEU A 67 -7.893 -4.347 -15.175 1.00 52.31 H new ATOM 0 HB2 LEU A 67 -8.440 -4.150 -12.232 1.00 51.33 H new ATOM 0 HB3 LEU A 67 -9.709 -4.366 -13.421 1.00 51.33 H new ATOM 0 HG LEU A 67 -7.417 -6.254 -12.830 1.00 61.14 H new ATOM 0 HD11 LEU A 67 -9.230 -7.816 -12.206 1.00 20.33 H new ATOM 0 HD12 LEU A 67 -9.256 -6.338 -11.215 1.00 20.33 H new ATOM 0 HD13 LEU A 67 -10.429 -6.543 -12.538 1.00 20.33 H new ATOM 0 HD21 LEU A 67 -8.414 -7.760 -14.508 1.00 43.33 H new ATOM 0 HD22 LEU A 67 -9.576 -6.486 -14.948 1.00 43.33 H new ATOM 0 HD23 LEU A 67 -7.837 -6.241 -15.234 1.00 43.33 H new ATOM 1059 N HIS A 68 -8.077 -1.436 -13.703 1.00 22.04 N ATOM 1060 CA HIS A 68 -8.563 -0.089 -13.868 1.00 44.02 C ATOM 1061 C HIS A 68 -7.693 0.785 -12.970 1.00 50.11 C ATOM 1062 O HIS A 68 -6.892 0.243 -12.216 1.00 31.13 O ATOM 1063 CB HIS A 68 -10.056 -0.032 -13.454 1.00 23.53 C ATOM 1064 CG HIS A 68 -10.816 1.172 -13.927 1.00 20.13 C ATOM 1065 ND1 HIS A 68 -11.632 1.934 -13.116 1.00 73.32 N ATOM 1066 CD2 HIS A 68 -10.931 1.702 -15.164 1.00 25.04 C ATOM 1067 CE1 HIS A 68 -12.202 2.870 -13.837 1.00 71.34 C ATOM 1068 NE2 HIS A 68 -11.794 2.750 -15.077 1.00 73.23 N ATOM 0 H HIS A 68 -7.464 -1.565 -12.898 1.00 22.04 H new ATOM 0 HA HIS A 68 -8.504 0.257 -14.900 1.00 44.02 H new ATOM 0 HB2 HIS A 68 -10.553 -0.925 -13.833 1.00 23.53 H new ATOM 0 HB3 HIS A 68 -10.114 -0.072 -12.366 1.00 23.53 H new ATOM 0 HD2 HIS A 68 -10.430 1.358 -16.057 1.00 25.04 H new ATOM 0 HE1 HIS A 68 -12.892 3.615 -13.470 1.00 71.34 H new ATOM 0 HE2 HIS A 68 -12.078 3.347 -15.853 1.00 73.23 H new ATOM 1077 N GLY A 69 -7.825 2.090 -13.039 1.00 21.52 N ATOM 1078 CA GLY A 69 -6.993 2.958 -12.214 1.00 31.44 C ATOM 1079 C GLY A 69 -7.333 2.915 -10.724 1.00 74.53 C ATOM 1080 O GLY A 69 -6.478 3.148 -9.889 1.00 2.31 O ATOM 0 H GLY A 69 -8.487 2.575 -13.645 1.00 21.52 H new ATOM 0 HA2 GLY A 69 -5.949 2.675 -12.346 1.00 31.44 H new ATOM 0 HA3 GLY A 69 -7.093 3.984 -12.569 1.00 31.44 H new ATOM 1084 N ASN A 70 -8.568 2.572 -10.399 1.00 34.04 N ATOM 1085 CA ASN A 70 -9.055 2.580 -9.033 1.00 71.21 C ATOM 1086 C ASN A 70 -10.464 2.024 -9.007 1.00 74.23 C ATOM 1087 O ASN A 70 -11.446 2.750 -8.947 1.00 72.52 O ATOM 1088 CB ASN A 70 -8.980 3.996 -8.400 1.00 22.21 C ATOM 1089 CG ASN A 70 -9.443 4.043 -6.955 1.00 31.20 C ATOM 1090 OD1 ASN A 70 -8.663 3.807 -6.033 1.00 22.54 O ATOM 1091 ND2 ASN A 70 -10.696 4.386 -6.745 1.00 33.21 N ATOM 0 H ASN A 70 -9.265 2.278 -11.083 1.00 34.04 H new ATOM 0 HA ASN A 70 -8.412 1.945 -8.424 1.00 71.21 H new ATOM 0 HB2 ASN A 70 -7.952 4.355 -8.455 1.00 22.21 H new ATOM 0 HB3 ASN A 70 -9.589 4.681 -8.990 1.00 22.21 H new ATOM 0 HD21 ASN A 70 -11.051 4.464 -5.792 1.00 33.21 H new ATOM 0 HD22 ASN A 70 -11.313 4.574 -7.535 1.00 33.21 H new ATOM 1098 N VAL A 71 -10.534 0.743 -9.203 1.00 63.13 N ATOM 1099 CA VAL A 71 -11.765 -0.003 -9.185 1.00 11.20 C ATOM 1100 C VAL A 71 -11.870 -0.753 -7.850 1.00 2.20 C ATOM 1101 O VAL A 71 -10.840 -1.063 -7.229 1.00 70.31 O ATOM 1102 CB VAL A 71 -11.855 -0.924 -10.450 1.00 55.25 C ATOM 1103 CG1 VAL A 71 -10.709 -1.885 -10.558 1.00 65.24 C ATOM 1104 CG2 VAL A 71 -13.160 -1.638 -10.525 1.00 11.25 C ATOM 0 H VAL A 71 -9.713 0.166 -9.386 1.00 63.13 H new ATOM 0 HA VAL A 71 -12.629 0.658 -9.244 1.00 11.20 H new ATOM 0 HB VAL A 71 -11.787 -0.256 -11.309 1.00 55.25 H new ATOM 0 HG11 VAL A 71 -10.828 -2.495 -11.454 1.00 65.24 H new ATOM 0 HG12 VAL A 71 -9.773 -1.330 -10.619 1.00 65.24 H new ATOM 0 HG13 VAL A 71 -10.691 -2.530 -9.680 1.00 65.24 H new ATOM 0 HG21 VAL A 71 -13.181 -2.265 -11.416 1.00 11.25 H new ATOM 0 HG22 VAL A 71 -13.285 -2.261 -9.640 1.00 11.25 H new ATOM 0 HG23 VAL A 71 -13.970 -0.911 -10.574 1.00 11.25 H new ATOM 1114 N THR A 72 -13.079 -0.996 -7.390 1.00 4.31 N ATOM 1115 CA THR A 72 -13.298 -1.609 -6.104 1.00 12.44 C ATOM 1116 C THR A 72 -13.074 -3.118 -6.166 1.00 41.14 C ATOM 1117 O THR A 72 -13.171 -3.725 -7.233 1.00 54.11 O ATOM 1118 CB THR A 72 -14.727 -1.299 -5.611 1.00 32.23 C ATOM 1119 OG1 THR A 72 -15.676 -1.687 -6.619 1.00 52.31 O ATOM 1120 CG2 THR A 72 -14.882 0.188 -5.318 1.00 12.13 C ATOM 0 H THR A 72 -13.934 -0.773 -7.899 1.00 4.31 H new ATOM 0 HA THR A 72 -12.578 -1.193 -5.400 1.00 12.44 H new ATOM 0 HB THR A 72 -14.909 -1.859 -4.694 1.00 32.23 H new ATOM 0 HG1 THR A 72 -16.584 -1.492 -6.306 1.00 52.31 H new ATOM 0 HG21 THR A 72 -15.896 0.387 -4.972 1.00 12.13 H new ATOM 0 HG22 THR A 72 -14.171 0.483 -4.547 1.00 12.13 H new ATOM 0 HG23 THR A 72 -14.690 0.760 -6.226 1.00 12.13 H new ATOM 1128 N LEU A 73 -12.787 -3.718 -5.016 1.00 4.20 N ATOM 1129 CA LEU A 73 -12.485 -5.146 -4.922 1.00 41.25 C ATOM 1130 C LEU A 73 -13.678 -5.994 -5.324 1.00 22.13 C ATOM 1131 O LEU A 73 -13.519 -7.123 -5.800 1.00 52.44 O ATOM 1132 CB LEU A 73 -12.039 -5.537 -3.513 1.00 4.11 C ATOM 1133 CG LEU A 73 -10.880 -4.747 -2.873 1.00 74.31 C ATOM 1134 CD1 LEU A 73 -9.741 -4.507 -3.827 1.00 44.13 C ATOM 1135 CD2 LEU A 73 -11.337 -3.478 -2.194 1.00 53.05 C ATOM 0 H LEU A 73 -12.757 -3.230 -4.121 1.00 4.20 H new ATOM 0 HA LEU A 73 -11.665 -5.335 -5.615 1.00 41.25 H new ATOM 0 HB2 LEU A 73 -12.903 -5.453 -2.854 1.00 4.11 H new ATOM 0 HB3 LEU A 73 -11.754 -6.589 -3.533 1.00 4.11 H new ATOM 0 HG LEU A 73 -10.488 -5.389 -2.084 1.00 74.31 H new ATOM 0 HD11 LEU A 73 -8.955 -3.947 -3.321 1.00 44.13 H new ATOM 0 HD12 LEU A 73 -9.344 -5.463 -4.167 1.00 44.13 H new ATOM 0 HD13 LEU A 73 -10.099 -3.937 -4.684 1.00 44.13 H new ATOM 0 HD21 LEU A 73 -10.477 -2.966 -1.763 1.00 53.05 H new ATOM 0 HD22 LEU A 73 -11.818 -2.827 -2.924 1.00 53.05 H new ATOM 0 HD23 LEU A 73 -12.047 -3.723 -1.404 1.00 53.05 H new ATOM 1147 N GLY A 74 -14.867 -5.447 -5.140 1.00 20.44 N ATOM 1148 CA GLY A 74 -16.071 -6.137 -5.541 1.00 20.03 C ATOM 1149 C GLY A 74 -16.119 -6.288 -7.041 1.00 63.04 C ATOM 1150 O GLY A 74 -16.523 -7.327 -7.560 1.00 5.22 O ATOM 0 H GLY A 74 -15.020 -4.531 -4.717 1.00 20.44 H new ATOM 0 HA2 GLY A 74 -16.109 -7.119 -5.069 1.00 20.03 H new ATOM 0 HA3 GLY A 74 -16.945 -5.585 -5.197 1.00 20.03 H new ATOM 1154 N ALA A 75 -15.658 -5.264 -7.736 1.00 1.21 N ATOM 1155 CA ALA A 75 -15.598 -5.270 -9.184 1.00 31.14 C ATOM 1156 C ALA A 75 -14.368 -6.065 -9.654 1.00 31.31 C ATOM 1157 O ALA A 75 -14.273 -6.473 -10.813 1.00 33.53 O ATOM 1158 CB ALA A 75 -15.578 -3.840 -9.711 1.00 54.41 C ATOM 0 H ALA A 75 -15.314 -4.403 -7.310 1.00 1.21 H new ATOM 0 HA ALA A 75 -16.486 -5.760 -9.584 1.00 31.14 H new ATOM 0 HB1 ALA A 75 -15.533 -3.854 -10.800 1.00 54.41 H new ATOM 0 HB2 ALA A 75 -16.482 -3.322 -9.392 1.00 54.41 H new ATOM 0 HB3 ALA A 75 -14.704 -3.320 -9.318 1.00 54.41 H new ATOM 1164 N LEU A 76 -13.434 -6.282 -8.731 1.00 54.14 N ATOM 1165 CA LEU A 76 -12.237 -7.081 -8.981 1.00 31.13 C ATOM 1166 C LEU A 76 -12.514 -8.564 -8.729 1.00 41.11 C ATOM 1167 O LEU A 76 -11.607 -9.392 -8.808 1.00 62.23 O ATOM 1168 CB LEU A 76 -11.119 -6.650 -8.056 1.00 4.24 C ATOM 1169 CG LEU A 76 -10.640 -5.219 -8.155 1.00 33.23 C ATOM 1170 CD1 LEU A 76 -9.614 -4.969 -7.121 1.00 64.50 C ATOM 1171 CD2 LEU A 76 -10.024 -4.983 -9.464 1.00 42.00 C ATOM 0 H LEU A 76 -13.487 -5.907 -7.784 1.00 54.14 H new ATOM 0 HA LEU A 76 -11.949 -6.930 -10.021 1.00 31.13 H new ATOM 0 HB2 LEU A 76 -11.445 -6.825 -7.031 1.00 4.24 H new ATOM 0 HB3 LEU A 76 -10.265 -7.303 -8.234 1.00 4.24 H new ATOM 0 HG LEU A 76 -11.496 -4.558 -8.018 1.00 33.23 H new ATOM 0 HD11 LEU A 76 -9.269 -3.938 -7.193 1.00 64.50 H new ATOM 0 HD12 LEU A 76 -10.043 -5.140 -6.134 1.00 64.50 H new ATOM 0 HD13 LEU A 76 -8.772 -5.645 -7.273 1.00 64.50 H new ATOM 0 HD21 LEU A 76 -9.683 -3.950 -9.524 1.00 42.00 H new ATOM 0 HD22 LEU A 76 -9.175 -5.654 -9.593 1.00 42.00 H new ATOM 0 HD23 LEU A 76 -10.756 -5.170 -10.250 1.00 42.00 H new ATOM 1183 N LYS A 77 -13.766 -8.881 -8.398 1.00 12.02 N ATOM 1184 CA LYS A 77 -14.230 -10.262 -8.159 1.00 60.24 C ATOM 1185 C LYS A 77 -13.655 -10.871 -6.875 1.00 42.14 C ATOM 1186 O LYS A 77 -13.641 -12.106 -6.734 1.00 62.01 O ATOM 1187 CB LYS A 77 -13.957 -11.227 -9.364 1.00 71.03 C ATOM 1188 CG LYS A 77 -14.700 -10.923 -10.676 1.00 41.52 C ATOM 1189 CD LYS A 77 -14.215 -9.651 -11.332 1.00 11.44 C ATOM 1190 CE LYS A 77 -14.989 -9.339 -12.594 1.00 61.44 C ATOM 1191 NZ LYS A 77 -14.547 -8.067 -13.190 1.00 51.44 N ATOM 0 H LYS A 77 -14.501 -8.183 -8.285 1.00 12.02 H new ATOM 0 HA LYS A 77 -15.309 -10.165 -8.043 1.00 60.24 H new ATOM 0 HB2 LYS A 77 -12.887 -11.220 -9.570 1.00 71.03 H new ATOM 0 HB3 LYS A 77 -14.215 -12.240 -9.054 1.00 71.03 H new ATOM 0 HG2 LYS A 77 -14.569 -11.757 -11.366 1.00 41.52 H new ATOM 0 HG3 LYS A 77 -15.768 -10.840 -10.475 1.00 41.52 H new ATOM 0 HD2 LYS A 77 -14.312 -8.821 -10.632 1.00 11.44 H new ATOM 0 HD3 LYS A 77 -13.155 -9.746 -11.570 1.00 11.44 H new ATOM 0 HE2 LYS A 77 -14.856 -10.146 -13.314 1.00 61.44 H new ATOM 0 HE3 LYS A 77 -16.054 -9.286 -12.367 1.00 61.44 H new ATOM 0 HZ1 LYS A 77 -15.278 -7.716 -13.842 1.00 51.44 H new ATOM 0 HZ2 LYS A 77 -14.390 -7.367 -12.437 1.00 51.44 H new ATOM 0 HZ3 LYS A 77 -13.661 -8.218 -13.713 1.00 51.44 H new ATOM 1205 N LEU A 78 -13.203 -10.037 -5.933 1.00 1.15 N ATOM 1206 CA LEU A 78 -12.722 -10.573 -4.660 1.00 44.44 C ATOM 1207 C LEU A 78 -13.848 -11.180 -3.856 1.00 0.11 C ATOM 1208 O LEU A 78 -14.882 -10.536 -3.642 1.00 64.01 O ATOM 1209 CB LEU A 78 -11.929 -9.567 -3.794 1.00 65.21 C ATOM 1210 CG LEU A 78 -10.461 -9.337 -4.169 1.00 20.34 C ATOM 1211 CD1 LEU A 78 -10.305 -8.676 -5.503 1.00 53.35 C ATOM 1212 CD2 LEU A 78 -9.734 -8.570 -3.089 1.00 22.30 C ATOM 0 H LEU A 78 -13.161 -9.022 -6.023 1.00 1.15 H new ATOM 0 HA LEU A 78 -12.012 -11.351 -4.941 1.00 44.44 H new ATOM 0 HB2 LEU A 78 -12.444 -8.607 -3.832 1.00 65.21 H new ATOM 0 HB3 LEU A 78 -11.966 -9.907 -2.759 1.00 65.21 H new ATOM 0 HG LEU A 78 -10.002 -10.322 -4.253 1.00 20.34 H new ATOM 0 HD11 LEU A 78 -9.246 -8.537 -5.719 1.00 53.35 H new ATOM 0 HD12 LEU A 78 -10.753 -9.303 -6.274 1.00 53.35 H new ATOM 0 HD13 LEU A 78 -10.803 -7.706 -5.489 1.00 53.35 H new ATOM 0 HD21 LEU A 78 -8.695 -8.423 -3.384 1.00 22.30 H new ATOM 0 HD22 LEU A 78 -10.212 -7.601 -2.947 1.00 22.30 H new ATOM 0 HD23 LEU A 78 -9.770 -9.133 -2.156 1.00 22.30 H new ATOM 1224 N PRO A 79 -13.700 -12.436 -3.434 1.00 64.21 N ATOM 1225 CA PRO A 79 -14.688 -13.100 -2.634 1.00 10.12 C ATOM 1226 C PRO A 79 -14.497 -12.829 -1.152 1.00 63.34 C ATOM 1227 O PRO A 79 -13.375 -12.853 -0.631 1.00 55.34 O ATOM 1228 CB PRO A 79 -14.468 -14.587 -2.930 1.00 0.54 C ATOM 1229 CG PRO A 79 -13.207 -14.673 -3.750 1.00 24.44 C ATOM 1230 CD PRO A 79 -12.567 -13.322 -3.719 1.00 71.11 C ATOM 0 HA PRO A 79 -15.694 -12.754 -2.870 1.00 10.12 H new ATOM 0 HB2 PRO A 79 -14.371 -15.157 -2.006 1.00 0.54 H new ATOM 0 HB3 PRO A 79 -15.315 -15.005 -3.474 1.00 0.54 H new ATOM 0 HG2 PRO A 79 -12.534 -15.427 -3.343 1.00 24.44 H new ATOM 0 HG3 PRO A 79 -13.434 -14.968 -4.775 1.00 24.44 H new ATOM 0 HD2 PRO A 79 -11.798 -13.256 -2.950 1.00 71.11 H new ATOM 0 HD3 PRO A 79 -12.090 -13.078 -4.668 1.00 71.11 H new ATOM 1238 N PHE A 80 -15.582 -12.583 -0.481 1.00 43.25 N ATOM 1239 CA PHE A 80 -15.552 -12.341 0.926 1.00 63.52 C ATOM 1240 C PHE A 80 -15.312 -13.611 1.688 1.00 4.41 C ATOM 1241 O PHE A 80 -15.976 -14.616 1.471 1.00 20.32 O ATOM 1242 CB PHE A 80 -16.779 -11.543 1.414 1.00 74.12 C ATOM 1243 CG PHE A 80 -18.075 -11.906 0.758 1.00 55.33 C ATOM 1244 CD1 PHE A 80 -18.784 -13.033 1.130 1.00 42.35 C ATOM 1245 CD2 PHE A 80 -18.577 -11.099 -0.252 1.00 22.14 C ATOM 1246 CE1 PHE A 80 -19.974 -13.355 0.505 1.00 63.21 C ATOM 1247 CE2 PHE A 80 -19.763 -11.414 -0.883 1.00 64.30 C ATOM 1248 CZ PHE A 80 -20.466 -12.543 -0.502 1.00 11.11 C ATOM 0 H PHE A 80 -16.513 -12.545 -0.896 1.00 43.25 H new ATOM 0 HA PHE A 80 -14.700 -11.694 1.135 1.00 63.52 H new ATOM 0 HB2 PHE A 80 -16.882 -11.686 2.490 1.00 74.12 H new ATOM 0 HB3 PHE A 80 -16.591 -10.482 1.250 1.00 74.12 H new ATOM 0 HD1 PHE A 80 -18.404 -13.668 1.917 1.00 42.35 H new ATOM 0 HD2 PHE A 80 -18.033 -10.214 -0.548 1.00 22.14 H new ATOM 0 HE1 PHE A 80 -20.519 -14.239 0.802 1.00 63.21 H new ATOM 0 HE2 PHE A 80 -20.141 -10.781 -1.672 1.00 64.30 H new ATOM 0 HZ PHE A 80 -21.397 -12.790 -0.990 1.00 11.11 H new ATOM 1258 N GLY A 81 -14.339 -13.562 2.549 1.00 43.41 N ATOM 1259 CA GLY A 81 -13.912 -14.731 3.273 1.00 31.10 C ATOM 1260 C GLY A 81 -12.779 -15.449 2.570 1.00 51.11 C ATOM 1261 O GLY A 81 -12.210 -16.389 3.118 1.00 13.10 O ATOM 0 H GLY A 81 -13.817 -12.714 2.772 1.00 43.41 H new ATOM 0 HA2 GLY A 81 -13.592 -14.441 4.274 1.00 31.10 H new ATOM 0 HA3 GLY A 81 -14.755 -15.412 3.392 1.00 31.10 H new ATOM 1265 N LYS A 82 -12.426 -15.005 1.371 1.00 4.45 N ATOM 1266 CA LYS A 82 -11.355 -15.633 0.630 1.00 41.14 C ATOM 1267 C LYS A 82 -10.196 -14.680 0.405 1.00 74.32 C ATOM 1268 O LYS A 82 -10.396 -13.473 0.286 1.00 64.23 O ATOM 1269 CB LYS A 82 -11.843 -16.186 -0.684 1.00 42.42 C ATOM 1270 CG LYS A 82 -12.931 -17.224 -0.534 1.00 60.13 C ATOM 1271 CD LYS A 82 -13.201 -17.873 -1.852 1.00 51.04 C ATOM 1272 CE LYS A 82 -14.312 -18.908 -1.770 1.00 15.41 C ATOM 1273 NZ LYS A 82 -14.527 -19.581 -3.073 1.00 33.25 N ATOM 0 H LYS A 82 -12.867 -14.216 0.898 1.00 4.45 H new ATOM 0 HA LYS A 82 -10.996 -16.464 1.237 1.00 41.14 H new ATOM 0 HB2 LYS A 82 -12.216 -15.366 -1.298 1.00 42.42 H new ATOM 0 HB3 LYS A 82 -11.002 -16.627 -1.218 1.00 42.42 H new ATOM 0 HG2 LYS A 82 -12.630 -17.975 0.196 1.00 60.13 H new ATOM 0 HG3 LYS A 82 -13.841 -16.758 -0.155 1.00 60.13 H new ATOM 0 HD2 LYS A 82 -13.472 -17.110 -2.581 1.00 51.04 H new ATOM 0 HD3 LYS A 82 -12.290 -18.350 -2.213 1.00 51.04 H new ATOM 0 HE2 LYS A 82 -14.063 -19.651 -1.013 1.00 15.41 H new ATOM 0 HE3 LYS A 82 -15.236 -18.426 -1.452 1.00 15.41 H new ATOM 0 HZ1 LYS A 82 -15.291 -20.280 -2.981 1.00 33.25 H new ATOM 0 HZ2 LYS A 82 -14.789 -18.874 -3.790 1.00 33.25 H new ATOM 0 HZ3 LYS A 82 -13.652 -20.061 -3.364 1.00 33.25 H new ATOM 1287 N THR A 83 -8.999 -15.228 0.336 1.00 71.13 N ATOM 1288 CA THR A 83 -7.788 -14.451 0.176 1.00 74.21 C ATOM 1289 C THR A 83 -7.527 -14.145 -1.304 1.00 34.45 C ATOM 1290 O THR A 83 -7.681 -15.026 -2.161 1.00 22.33 O ATOM 1291 CB THR A 83 -6.584 -15.234 0.741 1.00 74.30 C ATOM 1292 OG1 THR A 83 -6.866 -15.647 2.098 1.00 73.32 O ATOM 1293 CG2 THR A 83 -5.329 -14.373 0.740 1.00 30.12 C ATOM 0 H THR A 83 -8.839 -16.234 0.390 1.00 71.13 H new ATOM 0 HA THR A 83 -7.914 -13.514 0.718 1.00 74.21 H new ATOM 0 HB THR A 83 -6.417 -16.106 0.108 1.00 74.30 H new ATOM 0 HG1 THR A 83 -6.101 -16.145 2.454 1.00 73.32 H new ATOM 0 HG21 THR A 83 -4.494 -14.946 1.143 1.00 30.12 H new ATOM 0 HG22 THR A 83 -5.100 -14.065 -0.280 1.00 30.12 H new ATOM 0 HG23 THR A 83 -5.493 -13.490 1.357 1.00 30.12 H new ATOM 1301 N THR A 84 -7.149 -12.915 -1.603 1.00 71.13 N ATOM 1302 CA THR A 84 -6.842 -12.530 -2.963 1.00 32.51 C ATOM 1303 C THR A 84 -5.607 -11.611 -2.981 1.00 42.33 C ATOM 1304 O THR A 84 -5.521 -10.659 -2.199 1.00 15.51 O ATOM 1305 CB THR A 84 -8.039 -11.804 -3.601 1.00 1.02 C ATOM 1306 OG1 THR A 84 -9.232 -12.602 -3.420 1.00 35.34 O ATOM 1307 CG2 THR A 84 -7.802 -11.594 -5.095 1.00 22.34 C ATOM 0 H THR A 84 -7.048 -12.166 -0.918 1.00 71.13 H new ATOM 0 HA THR A 84 -6.631 -13.431 -3.540 1.00 32.51 H new ATOM 0 HB THR A 84 -8.158 -10.833 -3.120 1.00 1.02 H new ATOM 0 HG1 THR A 84 -9.775 -12.568 -4.235 1.00 35.34 H new ATOM 0 HG21 THR A 84 -8.658 -11.079 -5.530 1.00 22.34 H new ATOM 0 HG22 THR A 84 -6.905 -10.992 -5.240 1.00 22.34 H new ATOM 0 HG23 THR A 84 -7.673 -12.560 -5.582 1.00 22.34 H new ATOM 1315 N VAL A 85 -4.661 -11.904 -3.858 1.00 42.23 N ATOM 1316 CA VAL A 85 -3.434 -11.123 -3.951 1.00 35.22 C ATOM 1317 C VAL A 85 -3.495 -10.120 -5.107 1.00 61.21 C ATOM 1318 O VAL A 85 -4.004 -10.424 -6.194 1.00 21.05 O ATOM 1319 CB VAL A 85 -2.168 -12.036 -4.088 1.00 50.12 C ATOM 1320 CG1 VAL A 85 -2.227 -12.883 -5.351 1.00 65.31 C ATOM 1321 CG2 VAL A 85 -0.884 -11.220 -4.048 1.00 65.04 C ATOM 0 H VAL A 85 -4.718 -12.679 -4.519 1.00 42.23 H new ATOM 0 HA VAL A 85 -3.346 -10.567 -3.018 1.00 35.22 H new ATOM 0 HB VAL A 85 -2.164 -12.709 -3.231 1.00 50.12 H new ATOM 0 HG11 VAL A 85 -1.334 -13.504 -5.415 1.00 65.31 H new ATOM 0 HG12 VAL A 85 -3.111 -13.520 -5.321 1.00 65.31 H new ATOM 0 HG13 VAL A 85 -2.279 -12.232 -6.224 1.00 65.31 H new ATOM 0 HG21 VAL A 85 -0.027 -11.886 -4.146 1.00 65.04 H new ATOM 0 HG22 VAL A 85 -0.882 -10.504 -4.869 1.00 65.04 H new ATOM 0 HG23 VAL A 85 -0.822 -10.685 -3.100 1.00 65.04 H new ATOM 1331 N MET A 86 -3.001 -8.923 -4.862 1.00 12.31 N ATOM 1332 CA MET A 86 -2.940 -7.895 -5.869 1.00 10.12 C ATOM 1333 C MET A 86 -1.630 -7.174 -5.797 1.00 11.23 C ATOM 1334 O MET A 86 -1.010 -7.103 -4.744 1.00 60.21 O ATOM 1335 CB MET A 86 -4.083 -6.891 -5.746 1.00 73.53 C ATOM 1336 CG MET A 86 -5.448 -7.471 -5.999 1.00 53.51 C ATOM 1337 SD MET A 86 -6.744 -6.233 -5.933 1.00 14.21 S ATOM 1338 CE MET A 86 -6.213 -5.101 -7.218 1.00 33.11 C ATOM 0 H MET A 86 -2.631 -8.640 -3.955 1.00 12.31 H new ATOM 0 HA MET A 86 -3.038 -8.391 -6.834 1.00 10.12 H new ATOM 0 HB2 MET A 86 -4.065 -6.459 -4.746 1.00 73.53 H new ATOM 0 HB3 MET A 86 -3.912 -6.076 -6.449 1.00 73.53 H new ATOM 0 HG2 MET A 86 -5.459 -7.952 -6.977 1.00 53.51 H new ATOM 0 HG3 MET A 86 -5.652 -8.246 -5.260 1.00 53.51 H new ATOM 0 HE1 MET A 86 -7.018 -4.401 -7.441 1.00 33.11 H new ATOM 0 HE2 MET A 86 -5.336 -4.550 -6.878 1.00 33.11 H new ATOM 0 HE3 MET A 86 -5.961 -5.663 -8.117 1.00 33.11 H new ATOM 1348 N HIS A 87 -1.208 -6.652 -6.909 1.00 4.40 N ATOM 1349 CA HIS A 87 0.025 -5.910 -6.982 1.00 73.23 C ATOM 1350 C HIS A 87 -0.345 -4.473 -7.232 1.00 45.02 C ATOM 1351 O HIS A 87 -1.123 -4.190 -8.136 1.00 13.31 O ATOM 1352 CB HIS A 87 0.917 -6.407 -8.124 1.00 33.50 C ATOM 1353 CG HIS A 87 1.327 -7.859 -8.065 1.00 73.25 C ATOM 1354 ND1 HIS A 87 2.626 -8.259 -7.894 1.00 73.42 N ATOM 1355 CD2 HIS A 87 0.604 -9.007 -8.221 1.00 62.41 C ATOM 1356 CE1 HIS A 87 2.696 -9.567 -7.942 1.00 14.14 C ATOM 1357 NE2 HIS A 87 1.489 -10.041 -8.138 1.00 51.32 N ATOM 0 H HIS A 87 -1.706 -6.726 -7.796 1.00 4.40 H new ATOM 0 HA HIS A 87 0.584 -6.034 -6.055 1.00 73.23 H new ATOM 0 HB2 HIS A 87 0.395 -6.236 -9.066 1.00 33.50 H new ATOM 0 HB3 HIS A 87 1.820 -5.796 -8.144 1.00 33.50 H new ATOM 0 HD2 HIS A 87 -0.462 -9.081 -8.379 1.00 62.41 H new ATOM 0 HE1 HIS A 87 3.596 -10.155 -7.838 1.00 14.14 H new ATOM 0 HE2 HIS A 87 1.250 -11.029 -8.216 1.00 51.32 H new ATOM 1366 N LEU A 88 0.159 -3.579 -6.447 1.00 62.53 N ATOM 1367 CA LEU A 88 -0.224 -2.191 -6.585 1.00 70.13 C ATOM 1368 C LEU A 88 0.946 -1.369 -6.994 1.00 0.34 C ATOM 1369 O LEU A 88 2.071 -1.599 -6.529 1.00 63.00 O ATOM 1370 CB LEU A 88 -0.847 -1.633 -5.284 1.00 3.35 C ATOM 1371 CG LEU A 88 -2.210 -2.216 -4.830 1.00 64.24 C ATOM 1372 CD1 LEU A 88 -3.279 -2.016 -5.886 1.00 0.25 C ATOM 1373 CD2 LEU A 88 -2.103 -3.682 -4.441 1.00 22.35 C ATOM 0 H LEU A 88 0.833 -3.771 -5.705 1.00 62.53 H new ATOM 0 HA LEU A 88 -0.986 -2.137 -7.362 1.00 70.13 H new ATOM 0 HB2 LEU A 88 -0.131 -1.786 -4.477 1.00 3.35 H new ATOM 0 HB3 LEU A 88 -0.966 -0.556 -5.404 1.00 3.35 H new ATOM 0 HG LEU A 88 -2.507 -1.662 -3.939 1.00 64.24 H new ATOM 0 HD11 LEU A 88 -4.221 -2.437 -5.534 1.00 0.25 H new ATOM 0 HD12 LEU A 88 -3.406 -0.951 -6.078 1.00 0.25 H new ATOM 0 HD13 LEU A 88 -2.979 -2.517 -6.807 1.00 0.25 H new ATOM 0 HD21 LEU A 88 -3.081 -4.048 -4.130 1.00 22.35 H new ATOM 0 HD22 LEU A 88 -1.754 -4.261 -5.296 1.00 22.35 H new ATOM 0 HD23 LEU A 88 -1.397 -3.789 -3.618 1.00 22.35 H new ATOM 1385 N VAL A 89 0.718 -0.428 -7.877 1.00 51.35 N ATOM 1386 CA VAL A 89 1.776 0.413 -8.324 1.00 61.11 C ATOM 1387 C VAL A 89 1.342 1.861 -8.221 1.00 71.50 C ATOM 1388 O VAL A 89 0.176 2.198 -8.445 1.00 63.11 O ATOM 1389 CB VAL A 89 2.248 0.097 -9.795 1.00 5.33 C ATOM 1390 CG1 VAL A 89 2.526 -1.380 -9.994 1.00 73.31 C ATOM 1391 CG2 VAL A 89 1.277 0.592 -10.836 1.00 72.43 C ATOM 0 H VAL A 89 -0.192 -0.233 -8.294 1.00 51.35 H new ATOM 0 HA VAL A 89 2.632 0.220 -7.678 1.00 61.11 H new ATOM 0 HB VAL A 89 3.181 0.644 -9.931 1.00 5.33 H new ATOM 0 HG11 VAL A 89 2.848 -1.554 -11.020 1.00 73.31 H new ATOM 0 HG12 VAL A 89 3.311 -1.698 -9.308 1.00 73.31 H new ATOM 0 HG13 VAL A 89 1.619 -1.951 -9.797 1.00 73.31 H new ATOM 0 HG21 VAL A 89 1.653 0.347 -11.830 1.00 72.43 H new ATOM 0 HG22 VAL A 89 0.309 0.115 -10.686 1.00 72.43 H new ATOM 0 HG23 VAL A 89 1.167 1.673 -10.746 1.00 72.43 H new ATOM 1401 N ALA A 90 2.249 2.681 -7.848 1.00 24.10 N ATOM 1402 CA ALA A 90 2.038 4.086 -7.778 1.00 11.15 C ATOM 1403 C ALA A 90 3.170 4.705 -8.522 1.00 22.32 C ATOM 1404 O ALA A 90 4.281 4.155 -8.506 1.00 40.42 O ATOM 1405 CB ALA A 90 1.976 4.559 -6.341 1.00 31.54 C ATOM 0 H ALA A 90 3.188 2.391 -7.574 1.00 24.10 H new ATOM 0 HA ALA A 90 1.083 4.372 -8.219 1.00 11.15 H new ATOM 0 HB1 ALA A 90 1.814 5.637 -6.319 1.00 31.54 H new ATOM 0 HB2 ALA A 90 1.155 4.058 -5.828 1.00 31.54 H new ATOM 0 HB3 ALA A 90 2.915 4.323 -5.839 1.00 31.54 H new