USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 886 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 26 THR OG1 : rot -83:sc= 0.952 USER MOD Set 1.2: A 76 THR OG1 : rot -47:sc= 1.04 USER MOD Single : A 9 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.17) USER MOD Single : A 11 SER OG : rot 63:sc= -5.16! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.035) USER MOD Single : A 22 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.22 K(o=0.22,f=-2.7!) USER MOD Single : A 45 TYR OH : rot -62:sc= 1.82 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 123:sc= 0.287 USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -1.16 (180deg=-1.31) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0873 X(o=-0.087,f=-0.35) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 0:sc= -2.18 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -2.62! X(o=-2.6!,f=-2.2) USER MOD Single : A 91 MET CE :methyl -167:sc= -6.85! (180deg=-7.67!) USER MOD Single : A 95 THR OG1 : rot 32:sc= -0.011 USER MOD Single : A 99 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.045) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -0.256 X(o=-0.26,f=-0.39) USER MOD Single : A 129 TYR OH : rot 180:sc= -0.0727 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 0.856 -11.995 -2.354 1.00 0.00 N ATOM 67 CA GLY A 8 0.206 -12.391 -1.117 1.00 0.00 C ATOM 68 C GLY A 8 -1.142 -11.687 -0.955 1.00 0.00 C ATOM 69 O GLY A 8 -1.936 -11.635 -1.894 1.00 0.00 O ATOM 0 HA2 GLY A 8 0.059 -13.471 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.850 -12.150 -0.271 1.00 0.00 H new ATOM 73 N GLN A 9 -1.361 -11.163 0.242 1.00 0.00 N ATOM 74 CA GLN A 9 -2.600 -10.464 0.538 1.00 0.00 C ATOM 75 C GLN A 9 -2.340 -9.311 1.509 1.00 0.00 C ATOM 76 O GLN A 9 -1.720 -9.502 2.554 1.00 0.00 O ATOM 77 CB GLN A 9 -3.651 -11.425 1.098 1.00 0.00 C ATOM 78 CG GLN A 9 -4.003 -12.508 0.076 1.00 0.00 C ATOM 79 CD GLN A 9 -4.798 -13.640 0.729 1.00 0.00 C ATOM 80 OE1 GLN A 9 -5.823 -13.432 1.357 1.00 0.00 O ATOM 81 NE2 GLN A 9 -4.270 -14.847 0.546 1.00 0.00 N ATOM 0 H GLN A 9 -0.701 -11.209 1.018 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.992 -10.050 -0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.276 -11.889 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.549 -10.870 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.585 -12.072 -0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.090 -12.907 -0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.409 -14.951 0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.726 -15.669 0.942 1.00 0.00 H new ATOM 90 N LEU A 10 -2.826 -8.138 1.129 1.00 0.00 N ATOM 91 CA LEU A 10 -2.654 -6.954 1.953 1.00 0.00 C ATOM 92 C LEU A 10 -4.028 -6.402 2.338 1.00 0.00 C ATOM 93 O LEU A 10 -4.930 -6.334 1.504 1.00 0.00 O ATOM 94 CB LEU A 10 -1.758 -5.935 1.246 1.00 0.00 C ATOM 95 CG LEU A 10 -0.810 -5.138 2.144 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.282 -3.898 1.421 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.482 -4.784 3.473 1.00 0.00 C ATOM 0 H LEU A 10 -3.339 -7.983 0.261 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.140 -7.207 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.163 -6.461 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.395 -5.232 0.709 1.00 0.00 H new ATOM 0 HG LEU A 10 0.050 -5.766 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.389 -3.350 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.259 -4.202 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.118 -3.257 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.787 -4.218 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.371 -4.183 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.767 -5.699 3.992 1.00 0.00 H new ATOM 109 N SER A 11 -4.144 -6.020 3.601 1.00 0.00 N ATOM 110 CA SER A 11 -5.393 -5.476 4.107 1.00 0.00 C ATOM 111 C SER A 11 -5.308 -3.950 4.176 1.00 0.00 C ATOM 112 O SER A 11 -4.616 -3.402 5.033 1.00 0.00 O ATOM 113 CB SER A 11 -5.727 -6.052 5.484 1.00 0.00 C ATOM 114 OG SER A 11 -5.933 -7.462 5.437 1.00 0.00 O ATOM 0 H SER A 11 -3.393 -6.076 4.289 1.00 0.00 H new ATOM 0 HA SER A 11 -6.192 -5.759 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.917 -5.827 6.177 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.623 -5.567 5.872 1.00 0.00 H new ATOM 0 HG SER A 11 -5.103 -7.905 5.162 1.00 0.00 H new ATOM 120 N ILE A 12 -6.023 -3.308 3.264 1.00 0.00 N ATOM 121 CA ILE A 12 -6.037 -1.856 3.211 1.00 0.00 C ATOM 122 C ILE A 12 -7.473 -1.357 3.386 1.00 0.00 C ATOM 123 O ILE A 12 -8.364 -1.745 2.632 1.00 0.00 O ATOM 124 CB ILE A 12 -5.366 -1.359 1.929 1.00 0.00 C ATOM 125 CG1 ILE A 12 -3.882 -1.731 1.908 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.583 0.144 1.742 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.443 -2.156 0.505 1.00 0.00 C ATOM 0 H ILE A 12 -6.597 -3.766 2.556 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.452 -1.440 4.031 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.836 -1.859 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.285 -0.880 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.697 -2.542 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.096 0.470 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.651 0.352 1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.157 0.681 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.384 -2.415 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.025 -3.022 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.607 -1.334 -0.192 1.00 0.00 H new ATOM 139 N LYS A 13 -7.653 -0.506 4.384 1.00 0.00 N ATOM 140 CA LYS A 13 -8.965 0.050 4.667 1.00 0.00 C ATOM 141 C LYS A 13 -9.048 1.468 4.099 1.00 0.00 C ATOM 142 O LYS A 13 -8.341 2.365 4.555 1.00 0.00 O ATOM 143 CB LYS A 13 -9.270 -0.031 6.165 1.00 0.00 C ATOM 144 CG LYS A 13 -10.628 -0.692 6.413 1.00 0.00 C ATOM 145 CD LYS A 13 -11.075 -0.496 7.863 1.00 0.00 C ATOM 146 CE LYS A 13 -9.951 -0.854 8.837 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.440 -0.807 10.233 1.00 0.00 N ATOM 0 H LYS A 13 -6.911 -0.187 5.008 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.741 -0.537 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.488 -0.599 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.265 0.970 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.372 -0.268 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.565 -1.757 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.378 0.540 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.948 -1.117 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.571 -1.850 8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.120 -0.160 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.664 -1.053 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.781 0.151 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.218 -1.487 10.351 1.00 0.00 H new ATOM 161 N LEU A 14 -9.917 1.625 3.112 1.00 0.00 N ATOM 162 CA LEU A 14 -10.102 2.919 2.476 1.00 0.00 C ATOM 163 C LEU A 14 -11.421 3.532 2.950 1.00 0.00 C ATOM 164 O LEU A 14 -12.335 2.813 3.350 1.00 0.00 O ATOM 165 CB LEU A 14 -9.995 2.789 0.955 1.00 0.00 C ATOM 166 CG LEU A 14 -8.754 2.064 0.430 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.933 1.665 -1.037 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.495 2.905 0.646 1.00 0.00 C ATOM 0 H LEU A 14 -10.501 0.878 2.737 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.308 3.605 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.879 2.264 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.018 3.789 0.522 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.628 1.144 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.037 1.151 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.792 1.001 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.097 2.558 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.628 2.366 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.595 3.853 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.363 3.096 1.711 1.00 0.00 H new ATOM 180 N TRP A 15 -11.478 4.854 2.889 1.00 0.00 N ATOM 181 CA TRP A 15 -12.670 5.572 3.307 1.00 0.00 C ATOM 182 C TRP A 15 -12.652 6.948 2.639 1.00 0.00 C ATOM 183 O TRP A 15 -11.587 7.522 2.420 1.00 0.00 O ATOM 184 CB TRP A 15 -12.757 5.649 4.832 1.00 0.00 C ATOM 185 CG TRP A 15 -13.759 6.685 5.347 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.559 7.993 5.558 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.136 6.443 5.709 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.701 8.610 6.027 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.690 7.638 6.122 1.00 0.00 C ATOM 190 CE3 TRP A 15 -15.887 5.255 5.687 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -17.019 7.760 6.545 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.213 5.394 6.113 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.787 6.589 6.532 1.00 0.00 C ATOM 0 H TRP A 15 -10.718 5.447 2.556 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.569 5.043 2.991 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.032 4.668 5.220 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.770 5.884 5.231 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.622 8.501 5.383 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.801 9.598 6.261 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.474 4.310 5.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.430 8.706 6.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.834 4.511 6.116 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.820 6.614 6.846 1.00 0.00 H new ATOM 204 N PHE A 16 -13.845 7.438 2.333 1.00 0.00 N ATOM 205 CA PHE A 16 -13.980 8.736 1.694 1.00 0.00 C ATOM 206 C PHE A 16 -14.652 9.741 2.631 1.00 0.00 C ATOM 207 O PHE A 16 -15.816 9.575 2.993 1.00 0.00 O ATOM 208 CB PHE A 16 -14.862 8.537 0.460 1.00 0.00 C ATOM 209 CG PHE A 16 -15.041 9.800 -0.386 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.953 10.499 -0.804 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.290 10.223 -0.719 1.00 0.00 C ATOM 212 CE1 PHE A 16 -14.120 11.670 -1.590 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.457 11.394 -1.504 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.368 12.093 -1.923 1.00 0.00 C ATOM 0 H PHE A 16 -14.727 6.959 2.516 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.997 9.126 1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.428 7.754 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.842 8.184 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.961 10.164 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -17.155 9.668 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.255 12.224 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.449 11.730 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.495 12.984 -2.520 1.00 0.00 H new ATOM 224 N ASP A 17 -13.891 10.762 2.997 1.00 0.00 N ATOM 225 CA ASP A 17 -14.399 11.794 3.884 1.00 0.00 C ATOM 226 C ASP A 17 -15.002 12.926 3.051 1.00 0.00 C ATOM 227 O ASP A 17 -14.363 13.957 2.844 1.00 0.00 O ATOM 228 CB ASP A 17 -13.278 12.383 4.743 1.00 0.00 C ATOM 229 CG ASP A 17 -13.238 11.881 6.187 1.00 0.00 C ATOM 230 OD1 ASP A 17 -14.247 11.273 6.605 1.00 0.00 O ATOM 231 OD2 ASP A 17 -12.198 12.116 6.841 1.00 0.00 O ATOM 0 H ASP A 17 -12.926 10.896 2.695 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.150 11.342 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.322 12.159 4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.381 13.468 4.754 1.00 0.00 H new ATOM 236 N LYS A 18 -16.224 12.697 2.594 1.00 0.00 N ATOM 237 CA LYS A 18 -16.919 13.685 1.788 1.00 0.00 C ATOM 238 C LYS A 18 -17.059 14.982 2.587 1.00 0.00 C ATOM 239 O LYS A 18 -17.316 16.042 2.017 1.00 0.00 O ATOM 240 CB LYS A 18 -18.252 13.126 1.286 1.00 0.00 C ATOM 241 CG LYS A 18 -19.204 12.848 2.451 1.00 0.00 C ATOM 242 CD LYS A 18 -19.537 11.357 2.543 1.00 0.00 C ATOM 243 CE LYS A 18 -20.539 11.088 3.668 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.778 9.635 3.812 1.00 0.00 N ATOM 0 H LYS A 18 -16.751 11.841 2.767 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.342 13.921 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.712 13.835 0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.077 12.207 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.750 13.181 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.121 13.422 2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.949 11.013 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.625 10.787 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.160 11.495 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.479 11.598 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.460 9.470 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.160 9.256 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.882 9.156 4.036 1.00 0.00 H new ATOM 258 N VAL A 19 -16.885 14.856 3.894 1.00 0.00 N ATOM 259 CA VAL A 19 -16.988 16.005 4.777 1.00 0.00 C ATOM 260 C VAL A 19 -16.027 17.096 4.302 1.00 0.00 C ATOM 261 O VAL A 19 -16.458 18.170 3.885 1.00 0.00 O ATOM 262 CB VAL A 19 -16.738 15.577 6.225 1.00 0.00 C ATOM 263 CG1 VAL A 19 -16.809 16.777 7.171 1.00 0.00 C ATOM 264 CG2 VAL A 19 -17.721 14.484 6.650 1.00 0.00 C ATOM 0 H VAL A 19 -16.673 13.975 4.363 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.995 16.422 4.745 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.731 15.164 6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.628 16.445 8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.053 17.509 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.797 17.233 7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.522 14.197 7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -18.741 14.860 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.601 13.615 6.003 1.00 0.00 H new ATOM 274 N GLY A 20 -14.742 16.784 4.382 1.00 0.00 N ATOM 275 CA GLY A 20 -13.715 17.725 3.966 1.00 0.00 C ATOM 276 C GLY A 20 -13.126 17.328 2.611 1.00 0.00 C ATOM 277 O GLY A 20 -12.172 17.946 2.140 1.00 0.00 O ATOM 0 H GLY A 20 -14.388 15.892 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.139 18.727 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.924 17.760 4.715 1.00 0.00 H new ATOM 281 N HIS A 21 -13.718 16.299 2.022 1.00 0.00 N ATOM 282 CA HIS A 21 -13.263 15.813 0.730 1.00 0.00 C ATOM 283 C HIS A 21 -11.837 15.273 0.858 1.00 0.00 C ATOM 284 O HIS A 21 -10.932 15.728 0.160 1.00 0.00 O ATOM 285 CB HIS A 21 -13.391 16.902 -0.336 1.00 0.00 C ATOM 286 CG HIS A 21 -14.781 17.041 -0.908 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.260 18.228 -1.435 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.789 16.130 -1.032 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.502 18.029 -1.853 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.828 16.729 -1.602 1.00 0.00 N ATOM 0 H HIS A 21 -14.509 15.789 2.416 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.898 14.990 0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.090 17.856 0.096 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.695 16.686 -1.147 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.749 15.097 -0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.143 18.767 -2.312 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.723 16.289 -1.817 1.00 0.00 H new ATOM 298 N GLN A 22 -11.681 14.311 1.755 1.00 0.00 N ATOM 299 CA GLN A 22 -10.381 13.704 1.984 1.00 0.00 C ATOM 300 C GLN A 22 -10.475 12.182 1.855 1.00 0.00 C ATOM 301 O GLN A 22 -11.414 11.570 2.360 1.00 0.00 O ATOM 302 CB GLN A 22 -9.821 14.105 3.350 1.00 0.00 C ATOM 303 CG GLN A 22 -10.523 15.355 3.885 1.00 0.00 C ATOM 304 CD GLN A 22 -10.089 15.656 5.321 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.550 16.707 5.627 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.352 14.677 6.182 1.00 0.00 N ATOM 0 H GLN A 22 -12.434 13.937 2.332 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.692 14.071 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.948 13.283 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.750 14.292 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.293 16.207 3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.603 15.213 3.850 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.806 13.822 5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.100 14.781 7.165 1.00 0.00 H new ATOM 315 N LEU A 23 -9.488 11.616 1.176 1.00 0.00 N ATOM 316 CA LEU A 23 -9.448 10.177 0.974 1.00 0.00 C ATOM 317 C LEU A 23 -8.707 9.524 2.142 1.00 0.00 C ATOM 318 O LEU A 23 -7.535 9.813 2.378 1.00 0.00 O ATOM 319 CB LEU A 23 -8.853 9.845 -0.395 1.00 0.00 C ATOM 320 CG LEU A 23 -8.756 8.358 -0.742 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.123 7.798 -1.141 1.00 0.00 C ATOM 322 CD2 LEU A 23 -7.700 8.113 -1.821 1.00 0.00 C ATOM 0 H LEU A 23 -8.710 12.127 0.759 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.457 9.765 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.454 10.338 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.853 10.276 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.435 7.820 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.026 6.740 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.821 7.919 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.497 8.336 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.652 7.048 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.966 8.665 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.728 8.451 -1.462 1.00 0.00 H new ATOM 334 N ILE A 24 -9.420 8.654 2.842 1.00 0.00 N ATOM 335 CA ILE A 24 -8.845 7.957 3.979 1.00 0.00 C ATOM 336 C ILE A 24 -8.323 6.592 3.525 1.00 0.00 C ATOM 337 O ILE A 24 -8.945 5.932 2.693 1.00 0.00 O ATOM 338 CB ILE A 24 -9.854 7.879 5.127 1.00 0.00 C ATOM 339 CG1 ILE A 24 -9.934 9.209 5.878 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.532 6.711 6.061 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.270 10.358 4.925 1.00 0.00 C ATOM 0 H ILE A 24 -10.392 8.416 2.643 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.992 8.510 4.372 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.840 7.690 4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.693 9.145 6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.984 9.409 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.264 6.678 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.567 5.777 5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.535 6.845 6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.321 11.292 5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.497 10.435 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.232 10.167 4.450 1.00 0.00 H new ATOM 353 N VAL A 25 -7.188 6.209 4.091 1.00 0.00 N ATOM 354 CA VAL A 25 -6.576 4.935 3.754 1.00 0.00 C ATOM 355 C VAL A 25 -5.723 4.458 4.931 1.00 0.00 C ATOM 356 O VAL A 25 -4.640 4.988 5.172 1.00 0.00 O ATOM 357 CB VAL A 25 -5.782 5.063 2.453 1.00 0.00 C ATOM 358 CG1 VAL A 25 -5.280 6.495 2.256 1.00 0.00 C ATOM 359 CG2 VAL A 25 -4.623 4.065 2.417 1.00 0.00 C ATOM 0 H VAL A 25 -6.676 6.759 4.781 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.341 4.178 3.578 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.452 4.827 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.719 6.559 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.130 7.176 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.633 6.772 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.075 4.177 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.953 4.255 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.014 3.050 2.489 1.00 0.00 H new ATOM 369 N THR A 26 -6.243 3.460 5.631 1.00 0.00 N ATOM 370 CA THR A 26 -5.542 2.905 6.777 1.00 0.00 C ATOM 371 C THR A 26 -4.874 1.581 6.403 1.00 0.00 C ATOM 372 O THR A 26 -5.549 0.627 6.019 1.00 0.00 O ATOM 373 CB THR A 26 -6.542 2.778 7.927 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.302 3.933 8.726 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.219 1.607 8.857 1.00 0.00 C ATOM 0 H THR A 26 -7.141 3.022 5.427 1.00 0.00 H new ATOM 0 HA THR A 26 -4.734 3.560 7.102 1.00 0.00 H new ATOM 0 HB THR A 26 -7.546 2.653 7.522 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.549 3.763 9.329 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.959 1.562 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.239 0.676 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.228 1.748 9.288 1.00 0.00 H new ATOM 383 N ILE A 27 -3.555 1.564 6.527 1.00 0.00 N ATOM 384 CA ILE A 27 -2.788 0.373 6.207 1.00 0.00 C ATOM 385 C ILE A 27 -2.837 -0.594 7.392 1.00 0.00 C ATOM 386 O ILE A 27 -2.055 -0.469 8.333 1.00 0.00 O ATOM 387 CB ILE A 27 -1.368 0.748 5.778 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.390 1.710 4.589 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.533 -0.501 5.490 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.071 1.068 3.378 1.00 0.00 C ATOM 0 H ILE A 27 -2.998 2.357 6.845 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.227 -0.144 5.354 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.889 1.271 6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.917 2.624 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.371 1.996 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.471 -0.205 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.475 -1.115 6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.000 -1.074 4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.074 1.772 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.528 0.168 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.097 0.806 3.634 1.00 0.00 H new ATOM 402 N LEU A 28 -3.764 -1.537 7.307 1.00 0.00 N ATOM 403 CA LEU A 28 -3.926 -2.524 8.360 1.00 0.00 C ATOM 404 C LEU A 28 -2.638 -3.340 8.490 1.00 0.00 C ATOM 405 O LEU A 28 -1.686 -2.906 9.137 1.00 0.00 O ATOM 406 CB LEU A 28 -5.171 -3.377 8.109 1.00 0.00 C ATOM 407 CG LEU A 28 -6.507 -2.631 8.118 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.536 -3.339 7.233 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.017 -2.437 9.547 1.00 0.00 C ATOM 0 H LEU A 28 -4.411 -1.638 6.525 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.092 -2.034 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.060 -3.872 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.209 -4.160 8.866 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.347 -1.639 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.477 -2.789 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.167 -3.382 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.699 -4.351 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.968 -1.904 9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.157 -3.410 10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.290 -1.859 10.117 1.00 0.00 H new ATOM 421 N GLY A 29 -2.650 -4.509 7.865 1.00 0.00 N ATOM 422 CA GLY A 29 -1.495 -5.389 7.903 1.00 0.00 C ATOM 423 C GLY A 29 -1.518 -6.375 6.733 1.00 0.00 C ATOM 424 O GLY A 29 -2.548 -6.548 6.083 1.00 0.00 O ATOM 0 H GLY A 29 -3.441 -4.866 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.581 -4.797 7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.482 -5.937 8.845 1.00 0.00 H new ATOM 428 N ALA A 30 -0.371 -6.995 6.500 1.00 0.00 N ATOM 429 CA ALA A 30 -0.247 -7.959 5.420 1.00 0.00 C ATOM 430 C ALA A 30 -0.234 -9.373 6.003 1.00 0.00 C ATOM 431 O ALA A 30 0.008 -9.555 7.195 1.00 0.00 O ATOM 432 CB ALA A 30 1.012 -7.653 4.605 1.00 0.00 C ATOM 0 H ALA A 30 0.481 -6.849 7.041 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.099 -7.889 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.105 -8.376 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.941 -6.648 4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.888 -7.717 5.251 1.00 0.00 H new ATOM 438 N LYS A 31 -0.499 -10.339 5.135 1.00 0.00 N ATOM 439 CA LYS A 31 -0.521 -11.732 5.549 1.00 0.00 C ATOM 440 C LYS A 31 -0.207 -12.622 4.346 1.00 0.00 C ATOM 441 O LYS A 31 -0.281 -12.175 3.202 1.00 0.00 O ATOM 442 CB LYS A 31 -1.849 -12.066 6.232 1.00 0.00 C ATOM 443 CG LYS A 31 -2.996 -12.085 5.220 1.00 0.00 C ATOM 444 CD LYS A 31 -3.278 -13.509 4.736 1.00 0.00 C ATOM 445 CE LYS A 31 -4.301 -14.202 5.638 1.00 0.00 C ATOM 446 NZ LYS A 31 -3.879 -15.590 5.931 1.00 0.00 N ATOM 0 H LYS A 31 -0.700 -10.184 4.147 1.00 0.00 H new ATOM 0 HA LYS A 31 0.251 -11.921 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.776 -13.037 6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.057 -11.331 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.894 -11.667 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.746 -11.451 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.650 -13.482 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.351 -14.083 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.410 -13.645 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.277 -14.207 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.585 -16.045 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.798 -16.123 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.958 -15.578 6.413 1.00 0.00 H new ATOM 460 N ASP A 32 0.138 -13.866 4.644 1.00 0.00 N ATOM 461 CA ASP A 32 0.464 -14.823 3.601 1.00 0.00 C ATOM 462 C ASP A 32 1.643 -14.296 2.781 1.00 0.00 C ATOM 463 O ASP A 32 1.615 -14.332 1.552 1.00 0.00 O ATOM 464 CB ASP A 32 -0.718 -15.027 2.652 1.00 0.00 C ATOM 465 CG ASP A 32 -1.823 -15.944 3.182 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.484 -16.828 3.998 1.00 0.00 O ATOM 467 OD2 ASP A 32 -2.981 -15.740 2.759 1.00 0.00 O ATOM 0 H ASP A 32 0.199 -14.233 5.594 1.00 0.00 H new ATOM 0 HA ASP A 32 0.711 -15.771 4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.153 -14.054 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.345 -15.438 1.714 1.00 0.00 H new ATOM 472 N LEU A 33 2.652 -13.817 3.495 1.00 0.00 N ATOM 473 CA LEU A 33 3.838 -13.283 2.849 1.00 0.00 C ATOM 474 C LEU A 33 4.878 -14.395 2.702 1.00 0.00 C ATOM 475 O LEU A 33 4.984 -15.269 3.561 1.00 0.00 O ATOM 476 CB LEU A 33 4.353 -12.056 3.603 1.00 0.00 C ATOM 477 CG LEU A 33 3.363 -10.900 3.758 1.00 0.00 C ATOM 478 CD1 LEU A 33 4.087 -9.603 4.126 1.00 0.00 C ATOM 479 CD2 LEU A 33 2.504 -10.741 2.502 1.00 0.00 C ATOM 0 H LEU A 33 2.672 -13.788 4.514 1.00 0.00 H new ATOM 0 HA LEU A 33 3.599 -12.934 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.671 -12.372 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.239 -11.683 3.088 1.00 0.00 H new ATOM 0 HG LEU A 33 2.689 -11.136 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.360 -8.797 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.617 -9.737 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.800 -9.349 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.809 -9.912 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.146 -10.538 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.944 -11.659 2.326 1.00 0.00 H new ATOM 612 N ARG A 42 11.389 -11.764 7.611 1.00 0.00 N ATOM 613 CA ARG A 42 11.871 -10.632 6.839 1.00 0.00 C ATOM 614 C ARG A 42 11.305 -9.326 7.400 1.00 0.00 C ATOM 615 O ARG A 42 10.599 -9.334 8.407 1.00 0.00 O ATOM 616 CB ARG A 42 11.475 -10.760 5.366 1.00 0.00 C ATOM 617 CG ARG A 42 9.964 -10.599 5.189 1.00 0.00 C ATOM 618 CD ARG A 42 9.515 -11.113 3.819 1.00 0.00 C ATOM 619 NE ARG A 42 8.722 -12.352 3.979 1.00 0.00 N ATOM 620 CZ ARG A 42 7.514 -12.401 4.558 1.00 0.00 C ATOM 621 NH1 ARG A 42 6.954 -11.282 5.036 1.00 0.00 N ATOM 622 NH2 ARG A 42 6.867 -13.570 4.659 1.00 0.00 N ATOM 0 HA ARG A 42 12.959 -10.621 6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.996 -10.004 4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.788 -11.732 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.442 -11.144 5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.692 -9.549 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.919 -10.353 3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.385 -11.306 3.191 1.00 0.00 H new ATOM 0 HE ARG A 42 9.119 -13.223 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.447 -10.392 4.959 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.035 -11.320 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.294 -14.422 4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.948 -13.608 5.100 1.00 0.00 H new ATOM 636 N ASN A 43 11.635 -8.236 6.723 1.00 0.00 N ATOM 637 CA ASN A 43 11.168 -6.925 7.142 1.00 0.00 C ATOM 638 C ASN A 43 10.265 -6.339 6.055 1.00 0.00 C ATOM 639 O ASN A 43 10.729 -5.598 5.189 1.00 0.00 O ATOM 640 CB ASN A 43 12.340 -5.964 7.352 1.00 0.00 C ATOM 641 CG ASN A 43 13.574 -6.708 7.867 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.511 -7.499 8.793 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.695 -6.410 7.217 1.00 0.00 N ATOM 0 H ASN A 43 12.220 -8.234 5.887 1.00 0.00 H new ATOM 0 HA ASN A 43 10.627 -7.044 8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.578 -5.464 6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.056 -5.188 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.573 -6.854 7.485 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.676 -5.738 6.450 1.00 0.00 H new ATOM 650 N PRO A 44 8.957 -6.702 6.137 1.00 0.00 N ATOM 651 CA PRO A 44 7.985 -6.221 5.170 1.00 0.00 C ATOM 652 C PRO A 44 7.630 -4.756 5.432 1.00 0.00 C ATOM 653 O PRO A 44 7.854 -4.246 6.529 1.00 0.00 O ATOM 654 CB PRO A 44 6.794 -7.154 5.312 1.00 0.00 C ATOM 655 CG PRO A 44 6.953 -7.831 6.664 1.00 0.00 C ATOM 656 CD PRO A 44 8.371 -7.577 7.148 1.00 0.00 C ATOM 0 HA PRO A 44 8.366 -6.235 4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.856 -6.601 5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.775 -7.889 4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.230 -7.435 7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.764 -8.901 6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.375 -7.105 8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.931 -8.508 7.239 1.00 0.00 H new ATOM 664 N TYR A 45 7.082 -4.120 4.407 1.00 0.00 N ATOM 665 CA TYR A 45 6.694 -2.724 4.513 1.00 0.00 C ATOM 666 C TYR A 45 5.851 -2.296 3.310 1.00 0.00 C ATOM 667 O TYR A 45 6.105 -2.723 2.185 1.00 0.00 O ATOM 668 CB TYR A 45 7.998 -1.923 4.516 1.00 0.00 C ATOM 669 CG TYR A 45 8.582 -1.678 3.123 1.00 0.00 C ATOM 670 CD1 TYR A 45 8.073 -0.669 2.330 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.616 -2.466 2.660 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.622 -0.439 1.019 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.165 -2.235 1.349 1.00 0.00 C ATOM 674 CZ TYR A 45 9.641 -1.233 0.593 1.00 0.00 C ATOM 675 OH TYR A 45 10.160 -1.015 -0.645 1.00 0.00 O ATOM 0 H TYR A 45 6.897 -4.546 3.499 1.00 0.00 H new ATOM 0 HA TYR A 45 6.099 -2.559 5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.821 -0.962 4.998 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.736 -2.452 5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.264 -0.053 2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.013 -3.256 3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.233 0.347 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.975 -2.844 0.974 1.00 0.00 H new ATOM 0 HH TYR A 45 9.466 -1.163 -1.321 1.00 0.00 H new ATOM 685 N VAL A 46 4.863 -1.458 3.589 1.00 0.00 N ATOM 686 CA VAL A 46 3.980 -0.968 2.544 1.00 0.00 C ATOM 687 C VAL A 46 4.432 0.428 2.113 1.00 0.00 C ATOM 688 O VAL A 46 5.050 1.152 2.893 1.00 0.00 O ATOM 689 CB VAL A 46 2.528 -1.004 3.026 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.559 -0.760 1.868 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.217 -2.326 3.731 1.00 0.00 C ATOM 0 H VAL A 46 4.655 -1.106 4.523 1.00 0.00 H new ATOM 0 HA VAL A 46 4.033 -1.612 1.666 1.00 0.00 H new ATOM 0 HB VAL A 46 2.396 -0.199 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.534 -0.791 2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.757 0.218 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.695 -1.533 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.179 -2.326 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.376 -3.153 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.874 -2.442 4.593 1.00 0.00 H new ATOM 701 N LYS A 47 4.107 0.765 0.874 1.00 0.00 N ATOM 702 CA LYS A 47 4.472 2.062 0.331 1.00 0.00 C ATOM 703 C LYS A 47 3.331 2.582 -0.546 1.00 0.00 C ATOM 704 O LYS A 47 3.125 2.094 -1.657 1.00 0.00 O ATOM 705 CB LYS A 47 5.816 1.980 -0.395 1.00 0.00 C ATOM 706 CG LYS A 47 6.538 3.329 -0.367 1.00 0.00 C ATOM 707 CD LYS A 47 7.927 3.221 -0.998 1.00 0.00 C ATOM 708 CE LYS A 47 7.910 2.281 -2.205 1.00 0.00 C ATOM 709 NZ LYS A 47 9.070 2.546 -3.085 1.00 0.00 N ATOM 0 H LYS A 47 3.595 0.162 0.230 1.00 0.00 H new ATOM 0 HA LYS A 47 4.613 2.785 1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.441 1.219 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.657 1.670 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.948 4.072 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.628 3.676 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.268 4.209 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.639 2.855 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.932 1.245 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.984 2.414 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.043 1.899 -3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.032 3.529 -3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.951 2.396 -2.553 1.00 0.00 H new ATOM 723 N ILE A 48 2.620 3.566 -0.015 1.00 0.00 N ATOM 724 CA ILE A 48 1.506 4.157 -0.736 1.00 0.00 C ATOM 725 C ILE A 48 2.005 5.356 -1.545 1.00 0.00 C ATOM 726 O ILE A 48 2.985 5.998 -1.169 1.00 0.00 O ATOM 727 CB ILE A 48 0.365 4.497 0.226 1.00 0.00 C ATOM 728 CG1 ILE A 48 0.006 3.292 1.098 1.00 0.00 C ATOM 729 CG2 ILE A 48 -0.849 5.038 -0.532 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.015 3.674 2.579 1.00 0.00 C ATOM 0 H ILE A 48 2.794 3.969 0.906 1.00 0.00 H new ATOM 0 HA ILE A 48 1.091 3.443 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 48 0.706 5.288 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.970 2.904 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.729 2.493 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.645 5.272 0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.567 5.942 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.201 4.287 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.273 2.800 3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.969 4.038 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.756 4.457 2.742 1.00 0.00 H new ATOM 742 N TYR A 49 1.309 5.622 -2.640 1.00 0.00 N ATOM 743 CA TYR A 49 1.670 6.732 -3.505 1.00 0.00 C ATOM 744 C TYR A 49 0.458 7.227 -4.296 1.00 0.00 C ATOM 745 O TYR A 49 0.100 6.646 -5.320 1.00 0.00 O ATOM 746 CB TYR A 49 2.712 6.184 -4.483 1.00 0.00 C ATOM 747 CG TYR A 49 4.159 6.476 -4.079 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.576 7.780 -3.903 1.00 0.00 C ATOM 749 CD2 TYR A 49 5.046 5.436 -3.890 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.937 8.055 -3.523 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.408 5.712 -3.510 1.00 0.00 C ATOM 752 CZ TYR A 49 6.786 7.007 -3.345 1.00 0.00 C ATOM 753 OH TYR A 49 8.072 7.267 -2.986 1.00 0.00 O ATOM 0 H TYR A 49 0.497 5.088 -2.948 1.00 0.00 H new ATOM 0 HA TYR A 49 2.047 7.569 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.581 5.106 -4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.528 6.609 -5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.881 8.594 -4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.719 4.416 -4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.276 9.071 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.113 4.908 -3.360 1.00 0.00 H new ATOM 0 HH TYR A 49 8.563 6.424 -2.893 1.00 0.00 H new ATOM 763 N PHE A 50 -0.141 8.296 -3.792 1.00 0.00 N ATOM 764 CA PHE A 50 -1.306 8.877 -4.439 1.00 0.00 C ATOM 765 C PHE A 50 -0.944 9.443 -5.813 1.00 0.00 C ATOM 766 O PHE A 50 -0.421 10.552 -5.914 1.00 0.00 O ATOM 767 CB PHE A 50 -1.793 10.017 -3.542 1.00 0.00 C ATOM 768 CG PHE A 50 -3.160 10.579 -3.939 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.288 9.862 -3.691 1.00 0.00 C ATOM 770 CD2 PHE A 50 -3.246 11.796 -4.539 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.556 10.384 -4.059 1.00 0.00 C ATOM 772 CE2 PHE A 50 -4.514 12.318 -4.907 1.00 0.00 C ATOM 773 CZ PHE A 50 -5.643 11.601 -4.659 1.00 0.00 C ATOM 0 H PHE A 50 0.158 8.775 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.073 8.115 -4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.843 9.661 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.059 10.823 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.220 8.895 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.350 12.366 -4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.452 9.814 -3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.582 13.285 -5.384 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.608 11.998 -4.938 1.00 0.00 H new ATOM 783 N LEU A 51 -1.238 8.656 -6.838 1.00 0.00 N ATOM 784 CA LEU A 51 -0.951 9.066 -8.202 1.00 0.00 C ATOM 785 C LEU A 51 -1.874 10.223 -8.588 1.00 0.00 C ATOM 786 O LEU A 51 -2.909 10.433 -7.958 1.00 0.00 O ATOM 787 CB LEU A 51 -1.037 7.868 -9.150 1.00 0.00 C ATOM 788 CG LEU A 51 0.278 7.136 -9.428 1.00 0.00 C ATOM 789 CD1 LEU A 51 1.083 6.948 -8.140 1.00 0.00 C ATOM 790 CD2 LEU A 51 0.026 5.809 -10.146 1.00 0.00 C ATOM 0 H LEU A 51 -1.672 7.737 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 51 0.072 9.434 -8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.747 7.153 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.447 8.211 -10.100 1.00 0.00 H new ATOM 0 HG LEU A 51 0.879 7.754 -10.096 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.013 6.425 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.310 7.922 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.500 6.362 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.977 5.309 -10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.603 5.172 -9.524 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.476 5.998 -11.095 1.00 0.00 H new ATOM 933 N ARG A 60 2.974 8.557 1.214 1.00 0.00 N ATOM 934 CA ARG A 60 2.621 7.959 2.490 1.00 0.00 C ATOM 935 C ARG A 60 3.183 6.539 2.585 1.00 0.00 C ATOM 936 O ARG A 60 2.930 5.708 1.714 1.00 0.00 O ATOM 937 CB ARG A 60 1.103 7.913 2.676 1.00 0.00 C ATOM 938 CG ARG A 60 0.529 9.321 2.844 1.00 0.00 C ATOM 939 CD ARG A 60 0.905 9.907 4.207 1.00 0.00 C ATOM 940 NE ARG A 60 0.446 11.311 4.297 1.00 0.00 N ATOM 941 CZ ARG A 60 0.940 12.208 5.162 1.00 0.00 C ATOM 942 NH1 ARG A 60 1.909 11.852 6.016 1.00 0.00 N ATOM 943 NH2 ARG A 60 0.463 13.460 5.173 1.00 0.00 N ATOM 0 HA ARG A 60 3.053 8.578 3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.642 7.429 1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.858 7.310 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.904 9.967 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.556 9.290 2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.453 9.316 5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.985 9.859 4.348 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.292 11.615 3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.271 10.898 6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.285 12.535 6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.276 13.730 4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.838 14.143 5.831 1.00 0.00 H new ATOM 957 N ARG A 61 3.935 6.305 3.650 1.00 0.00 N ATOM 958 CA ARG A 61 4.535 5.000 3.871 1.00 0.00 C ATOM 959 C ARG A 61 4.431 4.609 5.346 1.00 0.00 C ATOM 960 O ARG A 61 4.540 5.461 6.227 1.00 0.00 O ATOM 961 CB ARG A 61 6.007 4.992 3.451 1.00 0.00 C ATOM 962 CG ARG A 61 6.614 3.596 3.608 1.00 0.00 C ATOM 963 CD ARG A 61 8.143 3.662 3.622 1.00 0.00 C ATOM 964 NE ARG A 61 8.610 4.313 4.867 1.00 0.00 N ATOM 965 CZ ARG A 61 9.835 4.828 5.031 1.00 0.00 C ATOM 966 NH1 ARG A 61 10.725 4.773 4.031 1.00 0.00 N ATOM 967 NH2 ARG A 61 10.172 5.400 6.196 1.00 0.00 N ATOM 0 H ARG A 61 4.143 6.997 4.370 1.00 0.00 H new ATOM 0 HA ARG A 61 3.991 4.278 3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.095 5.316 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.566 5.706 4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.257 3.142 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.281 2.957 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.559 2.657 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.499 4.218 2.755 1.00 0.00 H new ATOM 0 HE ARG A 61 7.958 4.373 5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.469 4.339 3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.658 5.166 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.495 5.443 6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.105 5.792 6.320 1.00 0.00 H new ATOM 981 N THR A 62 4.220 3.321 5.571 1.00 0.00 N ATOM 982 CA THR A 62 4.099 2.807 6.925 1.00 0.00 C ATOM 983 C THR A 62 5.476 2.435 7.479 1.00 0.00 C ATOM 984 O THR A 62 6.427 2.256 6.719 1.00 0.00 O ATOM 985 CB THR A 62 3.117 1.634 6.900 1.00 0.00 C ATOM 986 OG1 THR A 62 3.716 0.698 6.008 1.00 0.00 O ATOM 987 CG2 THR A 62 1.792 1.995 6.226 1.00 0.00 C ATOM 0 H THR A 62 4.130 2.617 4.838 1.00 0.00 H new ATOM 0 HA THR A 62 3.705 3.565 7.602 1.00 0.00 H new ATOM 0 HB THR A 62 2.927 1.298 7.919 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.841 -0.158 6.468 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.131 1.128 6.235 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.321 2.816 6.766 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.979 2.299 5.196 1.00 0.00 H new ATOM 995 N LYS A 63 5.539 2.329 8.798 1.00 0.00 N ATOM 996 CA LYS A 63 6.783 1.981 9.462 1.00 0.00 C ATOM 997 C LYS A 63 7.277 0.632 8.937 1.00 0.00 C ATOM 998 O LYS A 63 6.478 -0.261 8.659 1.00 0.00 O ATOM 999 CB LYS A 63 6.609 2.023 10.982 1.00 0.00 C ATOM 1000 CG LYS A 63 5.349 1.268 11.410 1.00 0.00 C ATOM 1001 CD LYS A 63 5.557 0.574 12.758 1.00 0.00 C ATOM 1002 CE LYS A 63 5.071 -0.876 12.708 1.00 0.00 C ATOM 1003 NZ LYS A 63 6.220 -1.808 12.720 1.00 0.00 N ATOM 0 H LYS A 63 4.748 2.478 9.425 1.00 0.00 H new ATOM 0 HA LYS A 63 7.555 2.715 9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.482 1.583 11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.548 3.059 11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.511 1.962 11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.089 0.529 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.614 0.598 13.025 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.019 1.115 13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.422 -1.078 13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.475 -1.035 11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.878 -2.778 12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.718 -1.756 11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.872 -1.545 13.487 1.00 0.00 H new ATOM 1017 N THR A 64 8.592 0.525 8.816 1.00 0.00 N ATOM 1018 CA THR A 64 9.202 -0.700 8.329 1.00 0.00 C ATOM 1019 C THR A 64 9.284 -1.738 9.450 1.00 0.00 C ATOM 1020 O THR A 64 10.049 -1.572 10.399 1.00 0.00 O ATOM 1021 CB THR A 64 10.564 -0.344 7.729 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.244 0.344 6.523 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.338 -1.578 7.260 1.00 0.00 C ATOM 0 H THR A 64 9.252 1.267 9.047 1.00 0.00 H new ATOM 0 HA THR A 64 8.597 -1.160 7.548 1.00 0.00 H new ATOM 0 HB THR A 64 11.155 0.196 8.468 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.071 0.613 6.070 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.297 -1.269 6.843 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.508 -2.244 8.106 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.762 -2.101 6.497 1.00 0.00 H new ATOM 1031 N VAL A 65 8.485 -2.785 9.304 1.00 0.00 N ATOM 1032 CA VAL A 65 8.458 -3.849 10.292 1.00 0.00 C ATOM 1033 C VAL A 65 9.664 -4.767 10.081 1.00 0.00 C ATOM 1034 O VAL A 65 10.056 -5.031 8.945 1.00 0.00 O ATOM 1035 CB VAL A 65 7.122 -4.592 10.224 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.735 -5.150 11.595 1.00 0.00 C ATOM 1037 CG2 VAL A 65 6.020 -3.688 9.669 1.00 0.00 C ATOM 0 H VAL A 65 7.851 -2.919 8.516 1.00 0.00 H new ATOM 0 HA VAL A 65 8.535 -3.437 11.298 1.00 0.00 H new ATOM 0 HB VAL A 65 7.241 -5.433 9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.782 -5.673 11.519 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.504 -5.844 11.936 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.643 -4.331 12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.081 -4.240 9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.903 -2.818 10.315 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.289 -3.361 8.665 1.00 0.00 H new ATOM 1047 N LYS A 66 10.218 -5.228 11.193 1.00 0.00 N ATOM 1048 CA LYS A 66 11.371 -6.110 11.143 1.00 0.00 C ATOM 1049 C LYS A 66 11.000 -7.462 11.757 1.00 0.00 C ATOM 1050 O LYS A 66 10.496 -7.521 12.878 1.00 0.00 O ATOM 1051 CB LYS A 66 12.582 -5.447 11.803 1.00 0.00 C ATOM 1052 CG LYS A 66 12.935 -4.132 11.104 1.00 0.00 C ATOM 1053 CD LYS A 66 14.295 -4.227 10.410 1.00 0.00 C ATOM 1054 CE LYS A 66 15.133 -2.975 10.672 1.00 0.00 C ATOM 1055 NZ LYS A 66 16.575 -3.309 10.678 1.00 0.00 N ATOM 0 H LYS A 66 9.890 -5.007 12.133 1.00 0.00 H new ATOM 0 HA LYS A 66 11.663 -6.297 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.369 -5.258 12.855 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.436 -6.123 11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.166 -3.887 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.951 -3.322 11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.829 -5.108 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.152 -4.355 9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.930 -2.227 9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.851 -2.535 11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.130 -2.448 10.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.767 -4.006 11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.843 -3.708 9.756 1.00 0.00 H new ATOM 1069 N LYS A 67 11.264 -8.514 10.997 1.00 0.00 N ATOM 1070 CA LYS A 67 10.964 -9.861 11.452 1.00 0.00 C ATOM 1071 C LYS A 67 9.467 -9.973 11.747 1.00 0.00 C ATOM 1072 O LYS A 67 9.045 -9.837 12.894 1.00 0.00 O ATOM 1073 CB LYS A 67 11.855 -10.236 12.639 1.00 0.00 C ATOM 1074 CG LYS A 67 13.268 -10.590 12.173 1.00 0.00 C ATOM 1075 CD LYS A 67 14.228 -10.689 13.361 1.00 0.00 C ATOM 1076 CE LYS A 67 14.136 -12.064 14.026 1.00 0.00 C ATOM 1077 NZ LYS A 67 13.751 -11.926 15.449 1.00 0.00 N ATOM 0 H LYS A 67 11.683 -8.461 10.068 1.00 0.00 H new ATOM 0 HA LYS A 67 11.191 -10.587 10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.898 -9.405 13.343 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.421 -11.082 13.171 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.251 -11.538 11.635 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.625 -9.833 11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.249 -10.512 13.024 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.993 -9.912 14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.404 -12.679 13.503 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.095 -12.576 13.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.693 -12.868 15.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.464 -11.356 15.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.825 -11.457 15.514 1.00 0.00 H new ATOM 1091 N THR A 68 8.706 -10.222 10.691 1.00 0.00 N ATOM 1092 CA THR A 68 7.265 -10.354 10.822 1.00 0.00 C ATOM 1093 C THR A 68 6.630 -10.646 9.461 1.00 0.00 C ATOM 1094 O THR A 68 6.615 -9.785 8.582 1.00 0.00 O ATOM 1095 CB THR A 68 6.731 -9.081 11.481 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.690 -9.544 12.338 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.016 -8.163 10.488 1.00 0.00 C ATOM 0 H THR A 68 9.060 -10.336 9.741 1.00 0.00 H new ATOM 0 HA THR A 68 7.002 -11.200 11.456 1.00 0.00 H new ATOM 0 HB THR A 68 7.555 -8.540 11.946 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.289 -8.782 12.807 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.657 -7.275 11.007 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.710 -7.867 9.701 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.171 -8.692 10.047 1.00 0.00 H new ATOM 1105 N LEU A 69 6.123 -11.863 9.329 1.00 0.00 N ATOM 1106 CA LEU A 69 5.488 -12.278 8.089 1.00 0.00 C ATOM 1107 C LEU A 69 4.130 -11.587 7.960 1.00 0.00 C ATOM 1108 O LEU A 69 3.580 -11.491 6.863 1.00 0.00 O ATOM 1109 CB LEU A 69 5.411 -13.805 8.013 1.00 0.00 C ATOM 1110 CG LEU A 69 6.720 -14.556 8.263 1.00 0.00 C ATOM 1111 CD1 LEU A 69 6.605 -16.018 7.827 1.00 0.00 C ATOM 1112 CD2 LEU A 69 7.896 -13.847 7.588 1.00 0.00 C ATOM 0 H LEU A 69 6.139 -12.575 10.059 1.00 0.00 H new ATOM 0 HA LEU A 69 6.086 -11.968 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.674 -14.148 8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.039 -14.082 7.026 1.00 0.00 H new ATOM 0 HG LEU A 69 6.916 -14.554 9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.549 -16.529 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.810 -16.505 8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.374 -16.063 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.814 -14.401 7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.722 -13.796 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.990 -12.838 7.988 1.00 0.00 H new ATOM 1124 N GLU A 70 3.627 -11.122 9.094 1.00 0.00 N ATOM 1125 CA GLU A 70 2.344 -10.441 9.121 1.00 0.00 C ATOM 1126 C GLU A 70 2.463 -9.112 9.869 1.00 0.00 C ATOM 1127 O GLU A 70 2.271 -9.060 11.083 1.00 0.00 O ATOM 1128 CB GLU A 70 1.266 -11.329 9.748 1.00 0.00 C ATOM 1129 CG GLU A 70 0.559 -12.168 8.682 1.00 0.00 C ATOM 1130 CD GLU A 70 -0.063 -13.424 9.296 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -1.140 -13.279 9.914 1.00 0.00 O ATOM 1132 OE2 GLU A 70 0.552 -14.500 9.134 1.00 0.00 O ATOM 0 H GLU A 70 4.085 -11.204 10.002 1.00 0.00 H new ATOM 0 HA GLU A 70 2.044 -10.231 8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.718 -11.985 10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.537 -10.709 10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.216 -11.572 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.271 -12.452 7.907 1.00 0.00 H new ATOM 1139 N PRO A 71 2.788 -8.043 9.094 1.00 0.00 N ATOM 1140 CA PRO A 71 2.935 -6.718 9.670 1.00 0.00 C ATOM 1141 C PRO A 71 1.571 -6.108 9.999 1.00 0.00 C ATOM 1142 O PRO A 71 0.575 -6.418 9.347 1.00 0.00 O ATOM 1143 CB PRO A 71 3.707 -5.920 8.632 1.00 0.00 C ATOM 1144 CG PRO A 71 3.559 -6.684 7.326 1.00 0.00 C ATOM 1145 CD PRO A 71 3.023 -8.068 7.653 1.00 0.00 C ATOM 0 HA PRO A 71 3.468 -6.730 10.621 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.309 -4.909 8.541 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.756 -5.825 8.913 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.880 -6.161 6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.519 -6.757 6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.104 -8.276 7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.739 -8.844 7.382 1.00 0.00 H new ATOM 1153 N LYS A 72 1.569 -5.253 11.011 1.00 0.00 N ATOM 1154 CA LYS A 72 0.343 -4.597 11.434 1.00 0.00 C ATOM 1155 C LYS A 72 0.621 -3.112 11.675 1.00 0.00 C ATOM 1156 O LYS A 72 1.042 -2.724 12.764 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.257 -5.314 12.645 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.793 -6.693 12.255 1.00 0.00 C ATOM 1159 CD LYS A 72 -1.959 -7.104 13.157 1.00 0.00 C ATOM 1160 CE LYS A 72 -1.456 -7.823 14.410 1.00 0.00 C ATOM 1161 NZ LYS A 72 -2.592 -8.371 15.184 1.00 0.00 N ATOM 0 H LYS A 72 2.397 -4.999 11.550 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.412 -4.657 10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.501 -5.421 13.421 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.063 -4.712 13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.120 -6.679 11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.006 -7.431 12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.530 -6.221 13.445 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.637 -7.756 12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.779 -8.629 14.127 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.886 -7.131 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.233 -8.856 16.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.223 -7.596 15.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.119 -9.047 14.595 1.00 0.00 H new ATOM 1175 N TRP A 73 0.375 -2.321 10.641 1.00 0.00 N ATOM 1176 CA TRP A 73 0.594 -0.887 10.726 1.00 0.00 C ATOM 1177 C TRP A 73 -0.686 -0.245 11.266 1.00 0.00 C ATOM 1178 O TRP A 73 -0.627 0.671 12.084 1.00 0.00 O ATOM 1179 CB TRP A 73 1.024 -0.317 9.373 1.00 0.00 C ATOM 1180 CG TRP A 73 2.057 -1.172 8.637 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.392 -1.130 8.746 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.784 -2.206 7.668 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.997 -2.057 7.922 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.988 -2.732 7.246 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.560 -2.682 7.166 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.085 -3.761 6.301 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.675 -3.710 6.222 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.879 -4.250 5.786 1.00 0.00 C ATOM 0 H TRP A 73 0.026 -2.646 9.739 1.00 0.00 H new ATOM 0 HA TRP A 73 1.412 -0.661 11.410 1.00 0.00 H new ATOM 0 HB2 TRP A 73 0.143 -0.206 8.741 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.435 0.681 9.525 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.927 -0.455 9.397 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.000 -2.217 7.827 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.393 -2.286 7.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.040 -4.156 5.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.236 -4.111 5.803 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.884 -5.043 5.053 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.812 -0.752 10.785 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.104 -0.239 11.210 1.00 0.00 C ATOM 1201 C ASN A 74 -3.022 1.282 11.352 1.00 0.00 C ATOM 1202 O ASN A 74 -3.683 1.866 12.209 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.508 -0.819 12.566 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.762 -1.687 12.439 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -5.884 -1.219 12.538 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -4.510 -2.973 12.216 1.00 0.00 N ATOM 0 H ASN A 74 -1.857 -1.512 10.106 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.843 -0.524 10.461 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.689 -1.414 12.970 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.692 -0.009 13.272 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.281 -3.634 12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.546 -3.299 12.144 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.205 1.882 10.498 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.029 3.324 10.517 1.00 0.00 C ATOM 1215 C GLN A 75 -3.152 4.007 9.735 1.00 0.00 C ATOM 1216 O GLN A 75 -4.011 3.337 9.164 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.658 3.716 9.963 1.00 0.00 C ATOM 1218 CG GLN A 75 0.433 3.541 11.022 1.00 0.00 C ATOM 1219 CD GLN A 75 0.963 4.898 11.492 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.546 5.440 12.502 1.00 0.00 O ATOM 1221 NE2 GLN A 75 1.902 5.414 10.704 1.00 0.00 N ATOM 0 H GLN A 75 -1.658 1.395 9.788 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.077 3.662 11.552 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.425 3.104 9.092 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.681 4.753 9.627 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.034 2.988 11.872 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.251 2.949 10.612 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.205 4.907 9.873 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.319 6.317 10.931 1.00 0.00 H new ATOM 1230 N THR A 76 -3.109 5.331 9.735 1.00 0.00 N ATOM 1231 CA THR A 76 -4.113 6.112 9.032 1.00 0.00 C ATOM 1232 C THR A 76 -3.445 7.108 8.082 1.00 0.00 C ATOM 1233 O THR A 76 -2.348 7.591 8.355 1.00 0.00 O ATOM 1234 CB THR A 76 -5.011 6.778 10.077 1.00 0.00 C ATOM 1235 OG1 THR A 76 -6.011 5.799 10.350 1.00 0.00 O ATOM 1236 CG2 THR A 76 -5.795 7.962 9.507 1.00 0.00 C ATOM 0 H THR A 76 -2.395 5.883 10.210 1.00 0.00 H new ATOM 0 HA THR A 76 -4.737 5.478 8.402 1.00 0.00 H new ATOM 0 HB THR A 76 -4.402 7.116 10.916 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.357 5.440 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.416 8.398 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.099 8.714 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.429 7.619 8.690 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.136 7.385 6.985 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.623 8.314 5.993 1.00 0.00 C ATOM 1246 C PHE A 77 -4.765 9.047 5.286 1.00 0.00 C ATOM 1247 O PHE A 77 -5.667 8.415 4.738 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.849 7.488 4.964 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.644 6.743 5.543 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.684 7.427 6.220 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.534 5.398 5.380 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.434 6.736 6.758 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.416 4.707 5.917 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.545 5.390 6.595 1.00 0.00 C ATOM 0 H PHE A 77 -5.046 6.982 6.762 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.991 9.060 6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.526 6.765 4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.507 8.148 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.771 8.496 6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.297 4.855 4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.196 7.279 7.297 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.329 3.638 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.395 4.864 7.004 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.690 10.369 5.323 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.706 11.194 4.693 1.00 0.00 C ATOM 1266 C ILE A 78 -5.103 11.898 3.475 1.00 0.00 C ATOM 1267 O ILE A 78 -3.934 12.281 3.491 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.326 12.152 5.712 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.363 11.435 6.578 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -6.911 13.385 5.020 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.273 11.894 8.035 1.00 0.00 C ATOM 0 H ILE A 78 -3.941 10.889 5.780 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.527 10.576 4.330 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.536 12.501 6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.363 11.632 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.206 10.358 6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.345 14.050 5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.121 13.910 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.684 13.075 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.021 11.369 8.629 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.279 11.673 8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.454 12.967 8.090 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.928 12.047 2.449 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.490 12.697 1.226 1.00 0.00 C ATOM 1285 C TYR A 79 -6.551 13.675 0.715 1.00 0.00 C ATOM 1286 O TYR A 79 -7.624 13.261 0.280 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.306 11.580 0.196 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.911 10.952 0.203 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.810 11.714 -0.129 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.755 9.623 0.540 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.497 11.123 -0.123 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.442 9.031 0.546 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.378 9.810 0.214 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.138 9.252 0.219 1.00 0.00 O ATOM 0 H TYR A 79 -6.897 11.729 2.440 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.574 13.261 1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.045 10.801 0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.509 11.979 -0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.933 12.754 -0.393 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.617 9.027 0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.627 11.708 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.306 7.992 0.808 1.00 0.00 H new ATOM 0 HH TYR A 79 0.525 9.926 -0.039 1.00 0.00 H new ATOM 1304 N SER A 80 -6.213 14.954 0.786 1.00 0.00 N ATOM 1305 CA SER A 80 -7.122 15.995 0.336 1.00 0.00 C ATOM 1306 C SER A 80 -6.331 17.158 -0.264 1.00 0.00 C ATOM 1307 O SER A 80 -5.135 17.295 -0.014 1.00 0.00 O ATOM 1308 CB SER A 80 -8.004 16.489 1.485 1.00 0.00 C ATOM 1309 OG SER A 80 -7.678 17.821 1.873 1.00 0.00 O ATOM 0 H SER A 80 -5.322 15.293 1.148 1.00 0.00 H new ATOM 0 HA SER A 80 -7.772 15.574 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.051 16.445 1.184 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.891 15.824 2.341 1.00 0.00 H new ATOM 0 HG SER A 80 -8.264 18.100 2.607 1.00 0.00 H new ATOM 1315 N PRO A 81 -7.050 17.988 -1.067 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.463 17.755 -1.311 1.00 0.00 C ATOM 1317 C PRO A 81 -8.666 16.588 -2.279 1.00 0.00 C ATOM 1318 O PRO A 81 -7.909 16.431 -3.236 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.992 19.074 -1.852 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.773 19.848 -2.326 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.538 19.167 -1.759 1.00 0.00 C ATOM 0 HA PRO A 81 -9.003 17.464 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.692 18.908 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.529 19.625 -1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.732 19.866 -3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.825 20.884 -1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.840 18.890 -2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.001 19.825 -1.076 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.692 15.798 -1.997 1.00 0.00 N ATOM 1330 CA VAL A 82 -10.004 14.650 -2.830 1.00 0.00 C ATOM 1331 C VAL A 82 -11.509 14.621 -3.109 1.00 0.00 C ATOM 1332 O VAL A 82 -12.310 14.456 -2.190 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.494 13.368 -2.168 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.170 12.134 -2.769 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -7.972 13.265 -2.274 1.00 0.00 C ATOM 0 H VAL A 82 -10.318 15.931 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.496 14.727 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.754 13.411 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.790 11.237 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.248 12.200 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.955 12.085 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.635 12.345 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.680 13.256 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.514 14.121 -1.778 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.846 14.785 -4.379 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.240 14.780 -4.790 1.00 0.00 C ATOM 1347 C HIS A 83 -13.623 13.385 -5.290 1.00 0.00 C ATOM 1348 O HIS A 83 -12.755 12.592 -5.652 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.505 15.874 -5.825 1.00 0.00 C ATOM 1350 CG HIS A 83 -12.697 17.132 -5.611 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -12.588 18.126 -6.568 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -11.960 17.546 -4.540 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -11.818 19.089 -6.084 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -11.429 18.728 -4.828 1.00 0.00 N ATOM 0 H HIS A 83 -11.178 14.922 -5.138 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.876 15.009 -3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.289 15.480 -6.818 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.565 16.128 -5.807 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -13.026 18.118 -7.489 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.831 17.004 -3.615 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.546 20.001 -6.595 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.923 13.129 -5.295 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.431 11.845 -5.745 1.00 0.00 C ATOM 1364 C ARG A 84 -15.243 11.700 -7.256 1.00 0.00 C ATOM 1365 O ARG A 84 -15.005 10.600 -7.753 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.914 11.689 -5.405 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.341 10.221 -5.468 1.00 0.00 C ATOM 1368 CD ARG A 84 -17.037 9.504 -4.151 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.549 8.117 -4.201 1.00 0.00 N ATOM 1370 CZ ARG A 84 -18.830 7.780 -3.997 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -19.737 8.729 -3.729 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -19.204 6.495 -4.061 1.00 0.00 N ATOM 0 H ARG A 84 -15.640 13.790 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.868 11.067 -5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.105 12.084 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.514 12.276 -6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.408 10.158 -5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.821 9.722 -6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.962 9.497 -3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.496 10.040 -3.321 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.885 7.370 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -19.452 9.707 -3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -20.712 8.473 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.514 5.772 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -20.179 6.239 -3.906 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.359 12.825 -7.946 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.205 12.838 -9.390 1.00 0.00 C ATOM 1388 C ARG A 85 -13.723 12.802 -9.767 1.00 0.00 C ATOM 1389 O ARG A 85 -13.374 12.479 -10.902 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.850 14.083 -10.002 1.00 0.00 C ATOM 1391 CG ARG A 85 -15.348 15.354 -9.315 1.00 0.00 C ATOM 1392 CD ARG A 85 -16.507 16.130 -8.684 1.00 0.00 C ATOM 1393 NE ARG A 85 -16.013 16.947 -7.553 1.00 0.00 N ATOM 1394 CZ ARG A 85 -16.807 17.530 -6.645 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -18.137 17.391 -6.730 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -16.271 18.253 -5.652 1.00 0.00 N ATOM 0 H ARG A 85 -15.558 13.735 -7.531 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.705 11.953 -9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.624 14.128 -11.067 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.934 14.019 -9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.619 15.093 -8.547 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.835 15.985 -10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.974 16.772 -9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.273 15.437 -8.335 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.005 17.074 -7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.545 16.841 -7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.741 17.835 -6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -15.259 18.359 -5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.875 18.697 -4.961 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.889 13.138 -8.793 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.453 13.149 -9.008 1.00 0.00 C ATOM 1412 C GLU A 86 -10.897 11.724 -8.954 1.00 0.00 C ATOM 1413 O GLU A 86 -9.770 11.477 -9.378 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.752 14.050 -7.989 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.903 15.525 -8.367 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.632 16.052 -9.037 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.660 16.302 -8.293 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -9.662 16.192 -10.279 1.00 0.00 O ATOM 0 H GLU A 86 -13.181 13.405 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.257 13.557 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.172 13.880 -6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.695 13.791 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.751 15.646 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.118 16.113 -7.475 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.715 10.824 -8.427 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.320 9.431 -8.312 1.00 0.00 C ATOM 1427 C PHE A 87 -10.894 8.867 -9.669 1.00 0.00 C ATOM 1428 O PHE A 87 -9.822 8.276 -9.791 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.543 8.659 -7.813 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.755 8.738 -6.300 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -12.032 9.619 -5.558 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.667 7.929 -5.698 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.229 9.693 -4.153 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.864 8.004 -4.293 1.00 0.00 C ATOM 1435 CZ PHE A 87 -13.141 8.884 -3.551 1.00 0.00 C ATOM 0 H PHE A 87 -12.649 11.033 -8.075 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.475 9.340 -7.630 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.431 9.043 -8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.442 7.613 -8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.308 10.262 -6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.241 7.230 -6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.654 10.392 -3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.588 7.362 -3.814 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.291 8.941 -2.483 1.00 0.00 H new ATOM 1445 N ARG A 88 -11.755 9.070 -10.655 1.00 0.00 N ATOM 1446 CA ARG A 88 -11.482 8.590 -11.998 1.00 0.00 C ATOM 1447 C ARG A 88 -10.271 9.317 -12.586 1.00 0.00 C ATOM 1448 O ARG A 88 -9.719 8.892 -13.600 1.00 0.00 O ATOM 1449 CB ARG A 88 -12.689 8.799 -12.915 1.00 0.00 C ATOM 1450 CG ARG A 88 -13.324 10.171 -12.680 1.00 0.00 C ATOM 1451 CD ARG A 88 -13.975 10.701 -13.959 1.00 0.00 C ATOM 1452 NE ARG A 88 -12.932 11.096 -14.931 1.00 0.00 N ATOM 1453 CZ ARG A 88 -13.153 11.884 -15.992 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -14.382 12.366 -16.224 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -12.146 12.190 -16.821 1.00 0.00 N ATOM 0 H ARG A 88 -12.643 9.561 -10.550 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.272 7.522 -11.931 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.379 8.711 -13.956 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.427 8.017 -12.735 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.072 10.099 -11.890 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.564 10.873 -12.337 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.618 9.936 -14.394 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.610 11.556 -13.726 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.985 10.746 -14.784 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.149 12.133 -15.593 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.550 12.966 -17.032 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.211 11.823 -16.645 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.315 12.790 -17.629 1.00 0.00 H new ATOM 1469 N GLU A 89 -9.895 10.402 -11.925 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.760 11.193 -12.370 1.00 0.00 C ATOM 1471 C GLU A 89 -7.578 11.009 -11.415 1.00 0.00 C ATOM 1472 O GLU A 89 -6.493 11.537 -11.656 1.00 0.00 O ATOM 1473 CB GLU A 89 -9.137 12.671 -12.497 1.00 0.00 C ATOM 1474 CG GLU A 89 -10.382 12.845 -13.368 1.00 0.00 C ATOM 1475 CD GLU A 89 -10.788 14.318 -13.457 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -10.096 15.054 -14.194 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -11.780 14.675 -12.785 1.00 0.00 O ATOM 0 H GLU A 89 -10.356 10.752 -11.085 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.462 10.842 -13.358 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.319 13.090 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.305 13.227 -12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.188 12.457 -14.368 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.204 12.262 -12.954 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.829 10.259 -10.352 1.00 0.00 N ATOM 1485 CA ARG A 90 -6.799 9.999 -9.360 1.00 0.00 C ATOM 1486 C ARG A 90 -6.918 8.567 -8.835 1.00 0.00 C ATOM 1487 O ARG A 90 -7.951 8.188 -8.285 1.00 0.00 O ATOM 1488 CB ARG A 90 -6.905 10.976 -8.187 1.00 0.00 C ATOM 1489 CG ARG A 90 -5.914 12.131 -8.344 1.00 0.00 C ATOM 1490 CD ARG A 90 -6.613 13.481 -8.172 1.00 0.00 C ATOM 1491 NE ARG A 90 -5.641 14.500 -7.716 1.00 0.00 N ATOM 1492 CZ ARG A 90 -4.647 14.981 -8.474 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -4.486 14.540 -9.728 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -3.812 15.905 -7.976 1.00 0.00 N ATOM 0 H ARG A 90 -8.730 9.823 -10.156 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.831 10.133 -9.843 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.920 11.369 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.711 10.450 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.117 12.034 -7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.446 12.082 -9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.061 13.791 -9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.424 13.391 -7.449 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.734 14.858 -6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.121 13.837 -10.107 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.729 14.907 -10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.934 16.241 -7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.055 16.272 -8.553 1.00 0.00 H new ATOM 1508 N MET A 91 -5.846 7.812 -9.022 1.00 0.00 N ATOM 1509 CA MET A 91 -5.817 6.430 -8.574 1.00 0.00 C ATOM 1510 C MET A 91 -4.678 6.200 -7.579 1.00 0.00 C ATOM 1511 O MET A 91 -3.635 6.846 -7.664 1.00 0.00 O ATOM 1512 CB MET A 91 -5.636 5.505 -9.780 1.00 0.00 C ATOM 1513 CG MET A 91 -4.896 4.226 -9.384 1.00 0.00 C ATOM 1514 SD MET A 91 -4.938 3.055 -10.730 1.00 0.00 S ATOM 1515 CE MET A 91 -5.353 1.568 -9.835 1.00 0.00 C ATOM 0 H MET A 91 -4.991 8.131 -9.478 1.00 0.00 H new ATOM 0 HA MET A 91 -6.761 6.210 -8.075 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.610 5.251 -10.198 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.080 6.024 -10.561 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.863 4.459 -9.126 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.356 3.790 -8.497 1.00 0.00 H new ATOM 0 HE1 MET A 91 -5.196 0.701 -10.477 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.719 1.486 -8.952 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.398 1.607 -9.529 1.00 0.00 H new ATOM 1525 N LEU A 92 -4.916 5.277 -6.659 1.00 0.00 N ATOM 1526 CA LEU A 92 -3.923 4.954 -5.648 1.00 0.00 C ATOM 1527 C LEU A 92 -3.060 3.791 -6.141 1.00 0.00 C ATOM 1528 O LEU A 92 -3.551 2.897 -6.829 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.596 4.691 -4.300 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.962 5.931 -3.480 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -3.849 6.280 -2.490 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -5.308 7.109 -4.392 1.00 0.00 C ATOM 0 H LEU A 92 -5.782 4.742 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.256 5.801 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.504 4.115 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.933 4.066 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.854 5.704 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.133 7.164 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.693 5.444 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.927 6.481 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.564 7.977 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.450 7.347 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.157 6.844 -5.022 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.789 3.840 -5.770 1.00 0.00 N ATOM 1545 CA GLU A 93 -0.853 2.801 -6.166 1.00 0.00 C ATOM 1546 C GLU A 93 -0.050 2.321 -4.956 1.00 0.00 C ATOM 1547 O GLU A 93 0.995 2.887 -4.636 1.00 0.00 O ATOM 1548 CB GLU A 93 0.074 3.294 -7.280 1.00 0.00 C ATOM 1549 CG GLU A 93 1.323 2.416 -7.381 1.00 0.00 C ATOM 1550 CD GLU A 93 2.040 2.635 -8.715 1.00 0.00 C ATOM 1551 OE1 GLU A 93 1.332 2.634 -9.746 1.00 0.00 O ATOM 1552 OE2 GLU A 93 3.278 2.798 -8.674 1.00 0.00 O ATOM 0 H GLU A 93 -1.385 4.583 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.421 1.957 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.458 3.287 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.365 4.326 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.000 2.645 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.044 1.367 -7.282 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.568 1.284 -4.316 1.00 0.00 N ATOM 1560 CA ILE A 94 0.089 0.721 -3.147 1.00 0.00 C ATOM 1561 C ILE A 94 1.132 -0.303 -3.598 1.00 0.00 C ATOM 1562 O ILE A 94 0.965 -0.953 -4.628 1.00 0.00 O ATOM 1563 CB ILE A 94 -0.946 0.157 -2.172 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.014 1.200 -1.841 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.270 -0.391 -0.913 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.230 1.050 -2.758 1.00 0.00 C ATOM 0 H ILE A 94 -1.435 0.818 -4.584 1.00 0.00 H new ATOM 0 HA ILE A 94 0.621 1.497 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.452 -0.678 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.323 1.092 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.595 2.201 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.027 -0.786 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.421 -1.187 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.278 0.410 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.974 1.804 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.922 1.182 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.661 0.057 -2.631 1.00 0.00 H new ATOM 1578 N THR A 95 2.187 -0.414 -2.803 1.00 0.00 N ATOM 1579 CA THR A 95 3.258 -1.348 -3.107 1.00 0.00 C ATOM 1580 C THR A 95 3.773 -2.003 -1.825 1.00 0.00 C ATOM 1581 O THR A 95 3.810 -1.370 -0.771 1.00 0.00 O ATOM 1582 CB THR A 95 4.340 -0.591 -3.880 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.337 0.710 -3.298 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.954 -0.347 -5.340 1.00 0.00 C ATOM 0 H THR A 95 2.323 0.127 -1.949 1.00 0.00 H new ATOM 0 HA THR A 95 2.904 -2.167 -3.733 1.00 0.00 H new ATOM 0 HB THR A 95 5.274 -1.152 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.091 0.644 -2.352 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.756 0.193 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.792 -1.303 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.038 0.243 -5.381 1.00 0.00 H new ATOM 1592 N LEU A 96 4.160 -3.264 -1.957 1.00 0.00 N ATOM 1593 CA LEU A 96 4.672 -4.013 -0.821 1.00 0.00 C ATOM 1594 C LEU A 96 6.008 -4.655 -1.200 1.00 0.00 C ATOM 1595 O LEU A 96 6.120 -5.290 -2.247 1.00 0.00 O ATOM 1596 CB LEU A 96 3.627 -5.014 -0.324 1.00 0.00 C ATOM 1597 CG LEU A 96 3.940 -5.707 1.003 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.106 -4.686 2.129 1.00 0.00 C ATOM 1599 CD2 LEU A 96 2.881 -6.760 1.335 1.00 0.00 C ATOM 0 H LEU A 96 4.129 -3.786 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 96 4.865 -3.346 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.674 -4.494 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.494 -5.780 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 96 4.891 -6.229 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.328 -5.205 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.925 -4.008 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.184 -4.116 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.128 -7.238 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.904 -6.282 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.855 -7.512 0.546 1.00 0.00 H new ATOM 1611 N TRP A 97 6.987 -4.467 -0.327 1.00 0.00 N ATOM 1612 CA TRP A 97 8.310 -5.020 -0.557 1.00 0.00 C ATOM 1613 C TRP A 97 8.875 -5.472 0.791 1.00 0.00 C ATOM 1614 O TRP A 97 8.318 -5.151 1.840 1.00 0.00 O ATOM 1615 CB TRP A 97 9.210 -4.011 -1.274 1.00 0.00 C ATOM 1616 CG TRP A 97 8.447 -2.875 -1.959 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.549 -2.040 -1.419 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.554 -2.481 -3.344 1.00 0.00 C ATOM 1619 NE1 TRP A 97 7.071 -1.141 -2.350 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.702 -1.417 -3.557 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.345 -3.006 -4.381 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.558 -0.787 -4.800 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.190 -2.365 -5.616 1.00 0.00 C ATOM 1624 CH2 TRP A 97 8.336 -1.293 -5.848 1.00 0.00 C ATOM 0 H TRP A 97 6.890 -3.939 0.541 1.00 0.00 H new ATOM 0 HA TRP A 97 8.256 -5.884 -1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.907 -3.584 -0.553 1.00 0.00 H new ATOM 0 HB3 TRP A 97 9.806 -4.537 -2.020 1.00 0.00 H new ATOM 0 HD1 TRP A 97 7.238 -2.067 -0.385 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.381 -0.408 -2.183 1.00 0.00 H new ATOM 0 HE3 TRP A 97 10.019 -3.838 -4.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.883 0.044 -4.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 9.775 -2.729 -6.447 1.00 0.00 H new ATOM 0 HH2 TRP A 97 8.273 -0.853 -6.832 1.00 0.00 H new ATOM 1635 N ASP A 98 9.973 -6.210 0.720 1.00 0.00 N ATOM 1636 CA ASP A 98 10.618 -6.709 1.922 1.00 0.00 C ATOM 1637 C ASP A 98 12.042 -6.154 1.999 1.00 0.00 C ATOM 1638 O ASP A 98 12.925 -6.595 1.266 1.00 0.00 O ATOM 1639 CB ASP A 98 10.707 -8.237 1.906 1.00 0.00 C ATOM 1640 CG ASP A 98 11.857 -8.826 2.725 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.296 -8.132 3.668 1.00 0.00 O ATOM 1642 OD2 ASP A 98 12.271 -9.957 2.390 1.00 0.00 O ATOM 0 H ASP A 98 10.432 -6.474 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 98 10.025 -6.391 2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.768 -8.645 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.809 -8.569 0.873 1.00 0.00 H new ATOM 1647 N GLN A 99 12.220 -5.193 2.894 1.00 0.00 N ATOM 1648 CA GLN A 99 13.521 -4.573 3.077 1.00 0.00 C ATOM 1649 C GLN A 99 14.596 -5.643 3.278 1.00 0.00 C ATOM 1650 O GLN A 99 14.788 -6.134 4.389 1.00 0.00 O ATOM 1651 CB GLN A 99 13.500 -3.589 4.249 1.00 0.00 C ATOM 1652 CG GLN A 99 14.041 -2.222 3.827 1.00 0.00 C ATOM 1653 CD GLN A 99 15.469 -2.016 4.337 1.00 0.00 C ATOM 1654 OE1 GLN A 99 16.379 -2.770 4.034 1.00 0.00 O ATOM 1655 NE2 GLN A 99 15.613 -0.955 5.126 1.00 0.00 N ATOM 0 H GLN A 99 11.485 -4.829 3.500 1.00 0.00 H new ATOM 0 HA GLN A 99 13.762 -4.009 2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.481 -3.482 4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.099 -3.983 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.024 -2.140 2.740 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.395 -1.435 4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.809 -0.365 5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.528 -0.731 5.518 1.00 0.00 H new ATOM 1809 N PHE A 109 10.090 -6.899 -4.118 1.00 0.00 N ATOM 1810 CA PHE A 109 8.739 -6.532 -4.510 1.00 0.00 C ATOM 1811 C PHE A 109 7.782 -7.715 -4.350 1.00 0.00 C ATOM 1812 O PHE A 109 7.648 -8.537 -5.255 1.00 0.00 O ATOM 1813 CB PHE A 109 8.795 -6.133 -5.986 1.00 0.00 C ATOM 1814 CG PHE A 109 7.440 -5.737 -6.575 1.00 0.00 C ATOM 1815 CD1 PHE A 109 6.800 -4.626 -6.122 1.00 0.00 C ATOM 1816 CD2 PHE A 109 6.875 -6.496 -7.552 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.542 -4.258 -6.669 1.00 0.00 C ATOM 1818 CE2 PHE A 109 5.617 -6.129 -8.099 1.00 0.00 C ATOM 1819 CZ PHE A 109 4.977 -5.018 -7.645 1.00 0.00 C ATOM 0 HA PHE A 109 8.377 -5.718 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.487 -5.299 -6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.201 -6.965 -6.562 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.248 -4.023 -5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.383 -7.378 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.034 -3.375 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.169 -6.732 -8.875 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.020 -4.739 -8.060 1.00 0.00 H new ATOM 1829 N LEU A 110 7.140 -7.763 -3.192 1.00 0.00 N ATOM 1830 CA LEU A 110 6.199 -8.831 -2.901 1.00 0.00 C ATOM 1831 C LEU A 110 4.959 -8.665 -3.782 1.00 0.00 C ATOM 1832 O LEU A 110 4.157 -9.589 -3.911 1.00 0.00 O ATOM 1833 CB LEU A 110 5.888 -8.879 -1.404 1.00 0.00 C ATOM 1834 CG LEU A 110 7.026 -9.353 -0.498 1.00 0.00 C ATOM 1835 CD1 LEU A 110 6.603 -9.325 0.973 1.00 0.00 C ATOM 1836 CD2 LEU A 110 7.527 -10.734 -0.924 1.00 0.00 C ATOM 0 H LEU A 110 7.253 -7.079 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 110 6.636 -9.800 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.586 -7.882 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.031 -9.536 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 110 7.861 -8.660 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.430 -9.666 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.333 -8.307 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.745 -9.981 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.336 -11.047 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.710 -11.452 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.893 -10.688 -1.950 1.00 0.00 H new ATOM 1848 N GLY A 111 4.841 -7.482 -4.366 1.00 0.00 N ATOM 1849 CA GLY A 111 3.712 -7.184 -5.231 1.00 0.00 C ATOM 1850 C GLY A 111 3.076 -5.842 -4.859 1.00 0.00 C ATOM 1851 O GLY A 111 3.183 -5.396 -3.718 1.00 0.00 O ATOM 0 H GLY A 111 5.508 -6.718 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.042 -7.159 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 111 2.969 -7.977 -5.151 1.00 0.00 H new ATOM 1855 N GLU A 112 2.428 -5.238 -5.844 1.00 0.00 N ATOM 1856 CA GLU A 112 1.775 -3.957 -5.635 1.00 0.00 C ATOM 1857 C GLU A 112 0.255 -4.119 -5.699 1.00 0.00 C ATOM 1858 O GLU A 112 -0.252 -4.965 -6.435 1.00 0.00 O ATOM 1859 CB GLU A 112 2.259 -2.922 -6.653 1.00 0.00 C ATOM 1860 CG GLU A 112 1.235 -2.735 -7.774 1.00 0.00 C ATOM 1861 CD GLU A 112 1.903 -2.201 -9.043 1.00 0.00 C ATOM 1862 OE1 GLU A 112 2.543 -3.021 -9.736 1.00 0.00 O ATOM 1863 OE2 GLU A 112 1.758 -0.984 -9.291 1.00 0.00 O ATOM 0 H GLU A 112 2.341 -5.612 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 112 2.041 -3.594 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.434 -1.969 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.212 -3.240 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.747 -3.686 -7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.457 -2.044 -7.450 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.429 -3.296 -4.919 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.881 -3.338 -4.877 1.00 0.00 C ATOM 1872 C ILE A 113 -2.439 -1.987 -5.329 1.00 0.00 C ATOM 1873 O ILE A 113 -2.447 -1.027 -4.560 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.366 -3.772 -3.492 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.779 -5.132 -3.108 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.894 -3.765 -3.419 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.056 -5.452 -1.637 1.00 0.00 C ATOM 0 H ILE A 113 -0.005 -2.596 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.260 -4.088 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.006 -3.048 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.208 -5.909 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.704 -5.132 -3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.212 -4.077 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.263 -2.759 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.297 -4.454 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.629 -6.424 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.605 -4.686 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.132 -5.475 -1.466 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.892 -1.956 -6.573 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.450 -0.738 -7.136 1.00 0.00 C ATOM 1891 C LEU A 114 -4.968 -0.740 -6.940 1.00 0.00 C ATOM 1892 O LEU A 114 -5.603 -1.791 -6.997 1.00 0.00 O ATOM 1893 CB LEU A 114 -3.019 -0.575 -8.595 1.00 0.00 C ATOM 1894 CG LEU A 114 -2.005 0.536 -8.874 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -0.601 0.121 -8.430 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -2.040 0.953 -10.346 1.00 0.00 C ATOM 0 H LEU A 114 -2.884 -2.755 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.061 0.136 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.596 -1.520 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.908 -0.388 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.284 1.409 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.100 0.929 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.605 -0.088 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.297 -0.774 -8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.310 1.744 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.799 0.095 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.036 1.318 -10.597 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.504 0.450 -6.713 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.935 0.599 -6.508 1.00 0.00 C ATOM 1910 C ILE A 115 -7.410 1.890 -7.179 1.00 0.00 C ATOM 1911 O ILE A 115 -6.912 2.972 -6.874 1.00 0.00 O ATOM 1912 CB ILE A 115 -7.274 0.520 -5.019 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -7.093 -0.905 -4.490 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.681 1.057 -4.747 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -5.880 -0.995 -3.562 1.00 0.00 C ATOM 0 H ILE A 115 -4.973 1.320 -6.666 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.475 -0.223 -6.978 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.576 1.157 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.990 -1.214 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.968 -1.594 -5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.896 0.989 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.741 2.098 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.410 0.467 -5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.774 -2.018 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -4.982 -0.709 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.019 -0.323 -2.715 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.368 1.732 -8.080 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.916 2.871 -8.797 1.00 0.00 C ATOM 1929 C GLU A 116 -10.014 3.542 -7.968 1.00 0.00 C ATOM 1930 O GLU A 116 -11.125 3.022 -7.866 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.445 2.453 -10.170 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.321 1.886 -11.040 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.781 1.722 -12.491 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -9.354 0.652 -12.787 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -8.548 2.671 -13.270 1.00 0.00 O ATOM 0 H GLU A 116 -8.779 0.833 -8.330 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.115 3.593 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.229 1.706 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.897 3.312 -10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.457 2.549 -11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.001 0.922 -10.645 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.665 4.685 -7.397 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.607 5.432 -6.580 1.00 0.00 C ATOM 1944 C LEU A 117 -11.989 5.387 -7.234 1.00 0.00 C ATOM 1945 O LEU A 117 -13.007 5.390 -6.543 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.091 6.850 -6.328 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.677 6.957 -5.755 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.397 8.373 -5.247 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.443 5.903 -4.671 1.00 0.00 C ATOM 0 H LEU A 117 -8.743 5.113 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.705 4.974 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.123 7.399 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.778 7.349 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.967 6.756 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.385 8.422 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.495 9.081 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.111 8.626 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.430 6.001 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.159 6.048 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.573 4.908 -5.097 1.00 0.00 H new ATOM 1961 N GLU A 118 -11.981 5.348 -8.558 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.222 5.303 -9.313 1.00 0.00 C ATOM 1963 C GLU A 118 -14.082 4.125 -8.852 1.00 0.00 C ATOM 1964 O GLU A 118 -15.265 4.293 -8.557 1.00 0.00 O ATOM 1965 CB GLU A 118 -12.947 5.226 -10.816 1.00 0.00 C ATOM 1966 CG GLU A 118 -14.142 5.744 -11.620 1.00 0.00 C ATOM 1967 CD GLU A 118 -13.930 5.526 -13.119 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -12.852 5.933 -13.605 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -14.850 4.957 -13.746 1.00 0.00 O ATOM 0 H GLU A 118 -11.135 5.347 -9.128 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.772 6.225 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.060 5.812 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.734 4.195 -11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.050 5.233 -11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.287 6.806 -11.420 1.00 0.00 H new ATOM 1976 N THR A 119 -13.455 2.959 -8.803 1.00 0.00 N ATOM 1977 CA THR A 119 -14.148 1.753 -8.382 1.00 0.00 C ATOM 1978 C THR A 119 -13.623 1.283 -7.024 1.00 0.00 C ATOM 1979 O THR A 119 -13.655 0.091 -6.721 1.00 0.00 O ATOM 1980 CB THR A 119 -13.992 0.708 -9.489 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.585 0.494 -9.569 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.364 1.255 -10.868 1.00 0.00 C ATOM 0 H THR A 119 -12.474 2.824 -9.048 1.00 0.00 H new ATOM 0 HA THR A 119 -15.212 1.938 -8.237 1.00 0.00 H new ATOM 0 HB THR A 119 -14.615 -0.157 -9.261 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.394 -0.172 -10.262 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.235 0.473 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.403 1.583 -10.861 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.719 2.099 -11.111 1.00 0.00 H new ATOM 1990 N ALA A 120 -13.153 2.244 -6.243 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.622 1.943 -4.924 1.00 0.00 C ATOM 1992 C ALA A 120 -13.776 1.855 -3.923 1.00 0.00 C ATOM 1993 O ALA A 120 -14.347 2.874 -3.537 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.592 3.005 -4.534 1.00 0.00 C ATOM 0 H ALA A 120 -13.129 3.231 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.112 0.979 -4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.194 2.780 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.779 3.008 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.068 3.985 -4.519 1.00 0.00 H new ATOM 2000 N LEU A 121 -14.084 0.627 -3.531 1.00 0.00 N ATOM 2001 CA LEU A 121 -15.159 0.393 -2.582 1.00 0.00 C ATOM 2002 C LEU A 121 -14.758 0.950 -1.215 1.00 0.00 C ATOM 2003 O LEU A 121 -14.180 0.237 -0.395 1.00 0.00 O ATOM 2004 CB LEU A 121 -15.537 -1.090 -2.555 1.00 0.00 C ATOM 2005 CG LEU A 121 -14.380 -2.079 -2.711 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -13.191 -1.675 -1.837 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -14.841 -3.510 -2.427 1.00 0.00 C ATOM 0 H LEU A 121 -13.608 -0.216 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.060 0.923 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -16.043 -1.299 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.258 -1.276 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 121 -14.042 -2.049 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.383 -2.395 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.845 -0.684 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -13.497 -1.658 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.000 -4.193 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -15.221 -3.574 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.631 -3.783 -3.126 1.00 0.00 H new ATOM 2019 N LEU A 122 -15.080 2.219 -1.010 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.760 2.879 0.244 1.00 0.00 C ATOM 2021 C LEU A 122 -15.938 2.733 1.208 1.00 0.00 C ATOM 2022 O LEU A 122 -17.077 3.032 0.851 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.346 4.331 -0.006 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.295 4.551 -1.096 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -13.762 5.604 -2.103 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -11.938 4.905 -0.485 1.00 0.00 C ATOM 0 H LEU A 122 -15.559 2.807 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.901 2.403 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.237 4.902 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.965 4.745 0.927 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.168 3.616 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.997 5.741 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.688 5.273 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.934 6.549 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.209 5.056 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.030 5.819 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.607 4.092 0.161 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.625 2.273 2.410 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.644 2.083 3.428 1.00 0.00 C ATOM 2040 C ASP A 123 -15.988 1.567 4.711 1.00 0.00 C ATOM 2041 O ASP A 123 -16.553 0.724 5.405 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.683 1.053 2.982 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.110 1.322 3.464 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.237 1.942 4.543 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -20.041 0.903 2.744 1.00 0.00 O ATOM 0 H ASP A 123 -14.679 2.026 2.702 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.135 3.042 3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.686 1.010 1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.374 0.070 3.339 1.00 0.00 H new ATOM 2050 N ASP A 124 -14.805 2.096 4.986 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.066 1.700 6.173 1.00 0.00 C ATOM 2052 C ASP A 124 -14.185 0.186 6.361 1.00 0.00 C ATOM 2053 O ASP A 124 -14.310 -0.295 7.485 1.00 0.00 O ATOM 2054 CB ASP A 124 -14.629 2.378 7.424 1.00 0.00 C ATOM 2055 CG ASP A 124 -13.961 1.967 8.737 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -12.722 2.114 8.815 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -14.705 1.515 9.635 1.00 0.00 O ATOM 0 H ASP A 124 -14.340 2.795 4.407 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.026 1.998 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -14.534 3.458 7.308 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -15.694 2.157 7.491 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.141 -0.522 5.242 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.242 -1.971 5.269 1.00 0.00 C ATOM 2064 C GLU A 125 -12.903 -2.604 4.886 1.00 0.00 C ATOM 2065 O GLU A 125 -12.389 -2.364 3.795 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.363 -2.460 4.349 1.00 0.00 C ATOM 2067 CG GLU A 125 -16.673 -2.625 5.122 1.00 0.00 C ATOM 2068 CD GLU A 125 -17.876 -2.279 4.242 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -17.870 -2.721 3.073 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -18.775 -1.580 4.758 1.00 0.00 O ATOM 0 H GLU A 125 -14.037 -0.119 4.311 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.490 -2.279 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.505 -1.751 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.080 -3.411 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.762 -3.651 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.664 -1.981 6.002 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.363 -3.422 5.829 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.094 -4.092 5.601 1.00 0.00 C ATOM 2079 C PRO A 126 -11.258 -5.262 4.629 1.00 0.00 C ATOM 2080 O PRO A 126 -12.041 -6.177 4.881 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.624 -4.525 6.980 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.858 -4.497 7.868 1.00 0.00 C ATOM 2083 CD PRO A 126 -12.944 -3.730 7.132 1.00 0.00 C ATOM 0 HA PRO A 126 -10.355 -3.444 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.188 -5.523 6.948 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.854 -3.853 7.359 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.191 -5.511 8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.632 -4.019 8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.850 -4.327 7.030 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.219 -2.821 7.668 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.507 -5.196 3.540 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.560 -6.239 2.530 1.00 0.00 C ATOM 2093 C HIS A 127 -9.148 -6.763 2.260 1.00 0.00 C ATOM 2094 O HIS A 127 -8.166 -6.065 2.503 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.258 -5.735 1.265 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.765 -5.790 1.332 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.521 -4.839 1.995 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.649 -6.689 0.811 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.800 -5.162 1.873 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.877 -6.309 1.140 1.00 0.00 N ATOM 0 H HIS A 127 -9.858 -4.436 3.335 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.157 -7.075 2.895 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -10.950 -4.706 1.078 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.920 -6.328 0.415 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -13.155 -4.027 2.493 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -13.393 -7.562 0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -15.635 -4.613 2.282 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.093 -7.989 1.760 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.818 -8.616 1.454 1.00 0.00 C ATOM 2110 C TRP A 128 -7.604 -8.538 -0.059 1.00 0.00 C ATOM 2111 O TRP A 128 -8.260 -9.249 -0.819 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.767 -10.047 1.993 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.717 -10.136 3.520 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.717 -10.431 4.362 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.563 -9.914 4.357 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.293 -10.416 5.675 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -6.942 -10.092 5.672 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.242 -9.574 4.014 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -6.059 -9.951 6.750 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.372 -9.438 5.103 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.738 -9.613 6.432 1.00 0.00 C ATOM 0 H TRP A 128 -9.911 -8.565 1.559 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.001 -8.090 1.948 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.642 -10.590 1.636 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -6.891 -10.548 1.581 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.728 -10.653 4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.866 -10.608 6.497 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -4.924 -9.429 2.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.380 -10.095 7.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.344 -9.179 4.895 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.006 -9.489 7.217 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.683 -7.670 -0.450 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.375 -7.491 -1.859 1.00 0.00 C ATOM 2134 C TYR A 129 -5.112 -8.263 -2.246 1.00 0.00 C ATOM 2135 O TYR A 129 -4.004 -7.871 -1.883 1.00 0.00 O ATOM 2136 CB TYR A 129 -6.121 -5.994 -2.048 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.257 -5.101 -1.545 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.533 -5.261 -2.045 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -7.006 -4.137 -0.590 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.603 -4.421 -1.571 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.075 -3.297 -0.116 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.321 -3.480 -0.630 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.331 -2.687 -0.182 1.00 0.00 O ATOM 0 H TYR A 129 -6.140 -7.083 0.184 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.192 -7.858 -2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.202 -5.723 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.958 -5.795 -3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.730 -6.016 -2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.007 -4.013 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.606 -4.536 -1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.892 -2.539 0.631 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.984 -2.062 0.489 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.322 -9.347 -2.978 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.214 -10.178 -3.419 1.00 0.00 C ATOM 2155 C LYS A 130 -3.201 -9.313 -4.171 1.00 0.00 C ATOM 2156 O LYS A 130 -3.573 -8.331 -4.812 1.00 0.00 O ATOM 2157 CB LYS A 130 -4.728 -11.370 -4.230 1.00 0.00 C ATOM 2158 CG LYS A 130 -4.757 -12.641 -3.378 1.00 0.00 C ATOM 2159 CD LYS A 130 -6.147 -12.871 -2.784 1.00 0.00 C ATOM 2160 CE LYS A 130 -6.421 -14.364 -2.590 1.00 0.00 C ATOM 2161 NZ LYS A 130 -7.527 -14.806 -3.469 1.00 0.00 N ATOM 0 H LYS A 130 -6.242 -9.669 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.694 -10.606 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.729 -11.156 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.089 -11.525 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.472 -13.498 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -4.023 -12.562 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.227 -12.356 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.903 -12.441 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -5.521 -14.937 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -6.675 -14.561 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -7.700 -15.821 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.389 -14.272 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.270 -14.636 -4.462 1.00 0.00 H new ATOM 2175 N LEU A 131 -1.941 -9.709 -4.069 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.872 -8.982 -4.731 1.00 0.00 C ATOM 2177 C LEU A 131 -0.743 -9.476 -6.174 1.00 0.00 C ATOM 2178 O LEU A 131 -1.217 -10.561 -6.507 1.00 0.00 O ATOM 2179 CB LEU A 131 0.426 -9.087 -3.928 1.00 0.00 C ATOM 2180 CG LEU A 131 0.369 -8.564 -2.491 1.00 0.00 C ATOM 2181 CD1 LEU A 131 1.093 -7.222 -2.367 1.00 0.00 C ATOM 2182 CD2 LEU A 131 -1.076 -8.483 -1.994 1.00 0.00 C ATOM 0 H LEU A 131 -1.636 -10.525 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.107 -7.918 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.730 -10.133 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.205 -8.542 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 131 0.892 -9.273 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.038 -6.873 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.138 -7.344 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.620 -6.492 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.088 -8.109 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.644 -7.808 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.527 -9.475 -2.023 1.00 0.00 H new ATOM 2194 N GLN A 132 -0.099 -8.656 -6.991 1.00 0.00 N ATOM 2195 CA GLN A 132 0.098 -8.996 -8.390 1.00 0.00 C ATOM 2196 C GLN A 132 1.575 -8.860 -8.766 1.00 0.00 C ATOM 2197 O GLN A 132 2.115 -7.755 -8.785 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.780 -8.129 -9.294 1.00 0.00 C ATOM 2199 CG GLN A 132 -0.606 -6.644 -8.968 1.00 0.00 C ATOM 2200 CD GLN A 132 -1.600 -5.789 -9.756 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -2.717 -5.541 -9.333 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -1.133 -5.354 -10.923 1.00 0.00 N ATOM 0 H GLN A 132 0.293 -7.757 -6.711 1.00 0.00 H new ATOM 0 HA GLN A 132 -0.200 -10.034 -8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.522 -8.308 -10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.825 -8.412 -9.171 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -0.750 -6.483 -7.900 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.412 -6.333 -9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -0.187 -5.599 -11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -1.720 -4.776 -11.524 1.00 0.00 H new