USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 934 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 7 ASN : amide:sc= -1.67 K(o=-0.56,f=-8.4!) USER MOD Set 1.2: A 9 SER OG : rot 151:sc= 1.11 USER MOD Single : A 5 MET CE :methyl -153:sc= -0.252 (180deg=-1.03) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -154:sc= -0.231 (180deg=-0.558) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= 1.27 (180deg=1.22) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.471 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 35 ASN : amide:sc= -0.814 X(o=-0.81,f=-0.9) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -172:sc= 1.22 USER MOD Single : A 43 MET CE :methyl -121:sc= -1.28 (180deg=-2.43) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.083) USER MOD Single : A 57 THR OG1 : rot 120:sc= 0.157 USER MOD Single : A 58 LYS NZ :NH3+ 144:sc= 0.924 (180deg=-1.06!) USER MOD Single : A 67 ASN : amide:sc= -3.8! K(o=-3.8!,f=-0.95) USER MOD Single : A 69 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1.2) USER MOD Single : A 70 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.65) USER MOD Single : A 72 ASN : amide:sc= 0.0776 K(o=0.078,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 150:sc= -0.433 (180deg=-0.578) USER MOD Single : A 78 MET CE :methyl -164:sc= -0.0764 (180deg=-0.444) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-0.45) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 171:sc= -1.85 (180deg=-1.9) USER MOD Single : A 88 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.53) USER MOD Single : A 89 GLN : amide:sc= 0.281 K(o=0.28,f=-0.48) USER MOD Single : A 95 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=-0.13) USER MOD Single : A 99 LYS NZ :NH3+ 168:sc=-0.00237 (180deg=-0.106) USER MOD Single : A 100 SER OG : rot 77:sc= 0.597 USER MOD Single : A 104 ASN : amide:sc= -0.0769 K(o=-0.077,f=-3.7!) USER MOD Single : A 107 LYS NZ :NH3+ 162:sc= -0.0507 (180deg=-0.332) USER MOD Single : A 109 MET CE :methyl -158:sc= -0.149 (180deg=-0.672) USER MOD Single : A 110 LYS NZ :NH3+ -150:sc= 1.24 (180deg=1.23) USER MOD Single : A 111 THR OG1 : rot -27:sc= 0.0589 USER MOD Single : A 116 MET CE :methyl 176:sc= -1.06 (180deg=-1.3) USER MOD Single : A 119 LYS NZ :NH3+ 174:sc=-0.00139 (180deg=-0.0791) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.24) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -8.399 -14.485 -0.410 1.00 0.00 N ATOM 15 CA PRO A 2 -8.940 -13.114 -0.464 1.00 0.00 C ATOM 16 C PRO A 2 -8.557 -12.236 0.730 1.00 0.00 C ATOM 17 O PRO A 2 -8.586 -11.013 0.621 1.00 0.00 O ATOM 18 CB PRO A 2 -10.463 -13.319 -0.505 1.00 0.00 C ATOM 19 CG PRO A 2 -10.687 -14.719 -0.048 1.00 0.00 C ATOM 20 CD PRO A 2 -9.472 -15.492 -0.470 1.00 0.00 C ATOM 0 HA PRO A 2 -8.533 -12.581 -1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.973 -12.608 0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.853 -13.167 -1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.819 -14.760 1.033 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.589 -15.136 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.276 -16.331 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.584 -15.903 -1.473 1.00 0.00 H new ATOM 28 N GLU A 3 -8.199 -12.859 1.854 1.00 0.00 N ATOM 29 CA GLU A 3 -7.786 -12.125 3.056 1.00 0.00 C ATOM 30 C GLU A 3 -6.732 -11.068 2.732 1.00 0.00 C ATOM 31 O GLU A 3 -6.999 -9.871 2.809 1.00 0.00 O ATOM 32 CB GLU A 3 -7.229 -13.071 4.132 1.00 0.00 C ATOM 33 CG GLU A 3 -8.203 -14.138 4.604 1.00 0.00 C ATOM 34 CD GLU A 3 -8.210 -15.365 3.715 1.00 0.00 C ATOM 35 OE1 GLU A 3 -8.834 -15.320 2.637 1.00 0.00 O ATOM 36 OE2 GLU A 3 -7.597 -16.382 4.093 1.00 0.00 O ATOM 0 H GLU A 3 -8.186 -13.873 1.959 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.680 -11.634 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.337 -13.560 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.916 -12.478 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.945 -14.434 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.207 -13.716 4.640 1.00 0.00 H new ATOM 43 N ILE A 4 -5.531 -11.512 2.377 1.00 0.00 N ATOM 44 CA ILE A 4 -4.463 -10.612 2.018 1.00 0.00 C ATOM 45 C ILE A 4 -4.604 -10.112 0.571 1.00 0.00 C ATOM 46 O ILE A 4 -3.990 -9.115 0.178 1.00 0.00 O ATOM 47 CB ILE A 4 -3.112 -11.327 2.263 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.748 -11.245 3.748 1.00 0.00 C ATOM 49 CG2 ILE A 4 -1.988 -10.784 1.401 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.685 -9.829 4.282 1.00 0.00 C ATOM 0 H ILE A 4 -5.281 -12.500 2.333 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.510 -9.721 2.644 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.239 -12.370 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.481 -11.809 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.782 -11.726 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.068 -11.326 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.243 -10.911 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.845 -9.725 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.422 -9.850 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.931 -9.266 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.657 -9.350 4.159 1.00 0.00 H new ATOM 62 N MET A 5 -5.448 -10.784 -0.206 1.00 0.00 N ATOM 63 CA MET A 5 -5.679 -10.412 -1.595 1.00 0.00 C ATOM 64 C MET A 5 -6.327 -9.033 -1.672 1.00 0.00 C ATOM 65 O MET A 5 -6.005 -8.228 -2.548 1.00 0.00 O ATOM 66 CB MET A 5 -6.569 -11.464 -2.262 1.00 0.00 C ATOM 67 CG MET A 5 -6.613 -11.388 -3.785 1.00 0.00 C ATOM 68 SD MET A 5 -7.723 -10.106 -4.407 1.00 0.00 S ATOM 69 CE MET A 5 -9.299 -10.688 -3.778 1.00 0.00 C ATOM 0 H MET A 5 -5.985 -11.593 0.106 1.00 0.00 H new ATOM 0 HA MET A 5 -4.725 -10.368 -2.121 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.218 -12.454 -1.971 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.583 -11.359 -1.877 1.00 0.00 H new ATOM 0 HG2 MET A 5 -5.607 -11.201 -4.161 1.00 0.00 H new ATOM 0 HG3 MET A 5 -6.927 -12.354 -4.181 1.00 0.00 H new ATOM 0 HE1 MET A 5 -10.102 -10.333 -4.424 1.00 0.00 H new ATOM 0 HE2 MET A 5 -9.303 -11.778 -3.759 1.00 0.00 H new ATOM 0 HE3 MET A 5 -9.451 -10.307 -2.768 1.00 0.00 H new ATOM 79 N LYS A 6 -7.229 -8.762 -0.740 1.00 0.00 N ATOM 80 CA LYS A 6 -7.905 -7.477 -0.683 1.00 0.00 C ATOM 81 C LYS A 6 -7.167 -6.531 0.256 1.00 0.00 C ATOM 82 O LYS A 6 -6.999 -6.816 1.442 1.00 0.00 O ATOM 83 CB LYS A 6 -9.360 -7.656 -0.238 1.00 0.00 C ATOM 84 CG LYS A 6 -10.140 -6.352 -0.155 1.00 0.00 C ATOM 85 CD LYS A 6 -11.630 -6.601 0.022 1.00 0.00 C ATOM 86 CE LYS A 6 -12.218 -7.320 -1.182 1.00 0.00 C ATOM 87 NZ LYS A 6 -13.693 -7.461 -1.087 1.00 0.00 N ATOM 0 H LYS A 6 -7.509 -9.418 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.905 -7.039 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.864 -8.326 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.375 -8.141 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.768 -5.758 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.973 -5.769 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.797 -7.195 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.145 -5.651 0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.965 -6.772 -2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.765 -8.308 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.049 -7.957 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.935 -8.007 -0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.129 -6.518 -1.030 1.00 0.00 H new ATOM 101 N ASN A 7 -6.724 -5.408 -0.287 1.00 0.00 N ATOM 102 CA ASN A 7 -5.983 -4.418 0.486 1.00 0.00 C ATOM 103 C ASN A 7 -6.923 -3.708 1.450 1.00 0.00 C ATOM 104 O ASN A 7 -8.015 -3.298 1.059 1.00 0.00 O ATOM 105 CB ASN A 7 -5.334 -3.398 -0.459 1.00 0.00 C ATOM 106 CG ASN A 7 -4.374 -2.438 0.236 1.00 0.00 C ATOM 107 OD1 ASN A 7 -4.487 -2.160 1.430 1.00 0.00 O ATOM 108 ND2 ASN A 7 -3.434 -1.900 -0.522 1.00 0.00 N ATOM 0 H ASN A 7 -6.865 -5.157 -1.265 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.202 -4.921 1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.795 -3.933 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.118 -2.821 -0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.775 -1.233 -0.121 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.368 -2.152 -1.508 1.00 0.00 H new ATOM 115 N LEU A 8 -6.501 -3.564 2.702 1.00 0.00 N ATOM 116 CA LEU A 8 -7.302 -2.867 3.701 1.00 0.00 C ATOM 117 C LEU A 8 -7.610 -1.441 3.254 1.00 0.00 C ATOM 118 O LEU A 8 -8.742 -0.981 3.376 1.00 0.00 O ATOM 119 CB LEU A 8 -6.594 -2.848 5.060 1.00 0.00 C ATOM 120 CG LEU A 8 -6.491 -4.203 5.762 1.00 0.00 C ATOM 121 CD1 LEU A 8 -5.855 -4.043 7.135 1.00 0.00 C ATOM 122 CD2 LEU A 8 -7.865 -4.845 5.883 1.00 0.00 C ATOM 0 H LEU A 8 -5.610 -3.920 3.048 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.241 -3.411 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.588 -2.452 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.122 -2.156 5.717 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.857 -4.856 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.789 -5.016 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.855 -3.623 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.465 -3.374 7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.774 -5.808 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.521 -4.195 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.287 -4.992 4.889 1.00 0.00 H new ATOM 134 N SER A 9 -6.607 -0.761 2.710 1.00 0.00 N ATOM 135 CA SER A 9 -6.773 0.612 2.246 1.00 0.00 C ATOM 136 C SER A 9 -7.812 0.684 1.127 1.00 0.00 C ATOM 137 O SER A 9 -8.620 1.614 1.072 1.00 0.00 O ATOM 138 CB SER A 9 -5.432 1.164 1.752 1.00 0.00 C ATOM 139 OG SER A 9 -4.421 1.011 2.736 1.00 0.00 O ATOM 0 H SER A 9 -5.669 -1.139 2.579 1.00 0.00 H new ATOM 0 HA SER A 9 -7.124 1.218 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.136 0.646 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.541 2.219 1.499 1.00 0.00 H new ATOM 0 HG SER A 9 -3.550 0.916 2.298 1.00 0.00 H new ATOM 145 N ASN A 10 -7.794 -0.318 0.253 1.00 0.00 N ATOM 146 CA ASN A 10 -8.731 -0.381 -0.865 1.00 0.00 C ATOM 147 C ASN A 10 -10.113 -0.799 -0.377 1.00 0.00 C ATOM 148 O ASN A 10 -11.132 -0.332 -0.889 1.00 0.00 O ATOM 149 CB ASN A 10 -8.229 -1.359 -1.931 1.00 0.00 C ATOM 150 CG ASN A 10 -9.164 -1.449 -3.122 1.00 0.00 C ATOM 151 OD1 ASN A 10 -10.073 -2.277 -3.153 1.00 0.00 O ATOM 152 ND2 ASN A 10 -8.943 -0.598 -4.115 1.00 0.00 N ATOM 0 H ASN A 10 -7.140 -1.099 0.297 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.803 0.612 -1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.242 -1.046 -2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.115 -2.348 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.538 -0.615 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.178 0.074 -4.050 1.00 0.00 H new ATOM 159 N ASN A 11 -10.139 -1.664 0.631 1.00 0.00 N ATOM 160 CA ASN A 11 -11.393 -2.141 1.199 1.00 0.00 C ATOM 161 C ASN A 11 -12.107 -0.996 1.896 1.00 0.00 C ATOM 162 O ASN A 11 -13.276 -0.726 1.621 1.00 0.00 O ATOM 163 CB ASN A 11 -11.141 -3.282 2.190 1.00 0.00 C ATOM 164 CG ASN A 11 -12.431 -3.927 2.671 1.00 0.00 C ATOM 165 OD1 ASN A 11 -13.418 -4.000 1.935 1.00 0.00 O ATOM 166 ND2 ASN A 11 -12.436 -4.395 3.911 1.00 0.00 N ATOM 0 H ASN A 11 -9.304 -2.049 1.072 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.019 -2.521 0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.514 -4.038 1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.588 -2.899 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.276 -4.834 4.287 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.599 -4.316 4.489 1.00 0.00 H new ATOM 173 N PHE A 12 -11.403 -0.338 2.815 1.00 0.00 N ATOM 174 CA PHE A 12 -11.875 0.928 3.378 1.00 0.00 C ATOM 175 C PHE A 12 -12.344 1.892 2.278 1.00 0.00 C ATOM 176 O PHE A 12 -13.548 2.093 2.113 1.00 0.00 O ATOM 177 CB PHE A 12 -10.788 1.592 4.232 1.00 0.00 C ATOM 178 CG PHE A 12 -10.704 1.053 5.635 1.00 0.00 C ATOM 179 CD1 PHE A 12 -11.508 1.577 6.635 1.00 0.00 C ATOM 180 CD2 PHE A 12 -9.823 0.034 5.955 1.00 0.00 C ATOM 181 CE1 PHE A 12 -11.433 1.092 7.928 1.00 0.00 C ATOM 182 CE2 PHE A 12 -9.744 -0.455 7.244 1.00 0.00 C ATOM 183 CZ PHE A 12 -10.551 0.075 8.232 1.00 0.00 C ATOM 0 H PHE A 12 -10.508 -0.658 3.185 1.00 0.00 H new ATOM 0 HA PHE A 12 -12.728 0.698 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.823 1.459 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.978 2.664 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.200 2.372 6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.189 -0.384 5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.064 1.509 8.699 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.052 -1.250 7.479 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.492 -0.306 9.241 1.00 0.00 H new ATOM 193 N GLY A 13 -11.405 2.472 1.515 1.00 0.00 N ATOM 194 CA GLY A 13 -11.773 3.398 0.456 1.00 0.00 C ATOM 195 C GLY A 13 -12.675 4.526 0.930 1.00 0.00 C ATOM 196 O GLY A 13 -13.626 4.896 0.239 1.00 0.00 O ATOM 0 H GLY A 13 -10.402 2.314 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.867 3.824 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.277 2.848 -0.339 1.00 0.00 H new ATOM 200 N LYS A 14 -12.395 5.058 2.116 1.00 0.00 N ATOM 201 CA LYS A 14 -13.146 6.183 2.637 1.00 0.00 C ATOM 202 C LYS A 14 -12.859 7.410 1.782 1.00 0.00 C ATOM 203 O LYS A 14 -13.766 8.005 1.198 1.00 0.00 O ATOM 204 CB LYS A 14 -12.764 6.426 4.108 1.00 0.00 C ATOM 205 CG LYS A 14 -13.671 7.403 4.854 1.00 0.00 C ATOM 206 CD LYS A 14 -13.437 8.841 4.425 1.00 0.00 C ATOM 207 CE LYS A 14 -14.341 9.808 5.166 1.00 0.00 C ATOM 208 NZ LYS A 14 -14.234 11.186 4.619 1.00 0.00 N ATOM 0 H LYS A 14 -11.652 4.724 2.730 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.215 5.973 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.773 5.471 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.741 6.801 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.713 7.137 4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.497 7.312 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.396 9.108 4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.610 8.932 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.374 9.467 5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.078 9.814 6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.865 11.820 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.253 11.520 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.509 11.184 3.616 1.00 0.00 H new ATOM 222 N ALA A 15 -11.586 7.768 1.704 1.00 0.00 N ATOM 223 CA ALA A 15 -11.155 8.910 0.917 1.00 0.00 C ATOM 224 C ALA A 15 -9.709 8.743 0.475 1.00 0.00 C ATOM 225 O ALA A 15 -8.781 9.131 1.187 1.00 0.00 O ATOM 226 CB ALA A 15 -11.319 10.194 1.712 1.00 0.00 C ATOM 0 H ALA A 15 -10.829 7.278 2.181 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.782 8.968 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.992 11.040 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.367 10.324 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.716 10.140 2.618 1.00 0.00 H new ATOM 232 N MET A 16 -9.519 8.143 -0.689 1.00 0.00 N ATOM 233 CA MET A 16 -8.188 7.978 -1.252 1.00 0.00 C ATOM 234 C MET A 16 -7.659 9.326 -1.729 1.00 0.00 C ATOM 235 O MET A 16 -6.450 9.570 -1.744 1.00 0.00 O ATOM 236 CB MET A 16 -8.207 6.980 -2.414 1.00 0.00 C ATOM 237 CG MET A 16 -8.651 5.581 -2.016 1.00 0.00 C ATOM 238 SD MET A 16 -8.588 4.417 -3.393 1.00 0.00 S ATOM 239 CE MET A 16 -9.264 2.951 -2.616 1.00 0.00 C ATOM 0 H MET A 16 -10.271 7.762 -1.263 1.00 0.00 H new ATOM 0 HA MET A 16 -7.530 7.586 -0.476 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.873 7.355 -3.191 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.209 6.924 -2.849 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.015 5.218 -1.208 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.668 5.623 -1.627 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.889 2.063 -3.125 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.963 2.923 -1.569 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.352 2.974 -2.680 1.00 0.00 H new ATOM 249 N ASP A 17 -8.587 10.210 -2.083 1.00 0.00 N ATOM 250 CA ASP A 17 -8.255 11.544 -2.575 1.00 0.00 C ATOM 251 C ASP A 17 -7.519 12.360 -1.534 1.00 0.00 C ATOM 252 O ASP A 17 -6.753 13.264 -1.867 1.00 0.00 O ATOM 253 CB ASP A 17 -9.517 12.288 -3.006 1.00 0.00 C ATOM 254 CG ASP A 17 -9.206 13.665 -3.560 1.00 0.00 C ATOM 255 OD1 ASP A 17 -8.556 13.750 -4.623 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.589 14.668 -2.923 1.00 0.00 O ATOM 0 H ASP A 17 -9.589 10.023 -2.037 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.598 11.414 -3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.042 11.704 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.190 12.384 -2.154 1.00 0.00 H new ATOM 261 N GLN A 18 -7.709 12.033 -0.276 1.00 0.00 N ATOM 262 CA GLN A 18 -7.106 12.825 0.769 1.00 0.00 C ATOM 263 C GLN A 18 -5.710 12.332 1.094 1.00 0.00 C ATOM 264 O GLN A 18 -4.873 13.105 1.549 1.00 0.00 O ATOM 265 CB GLN A 18 -7.995 12.883 2.005 1.00 0.00 C ATOM 266 CG GLN A 18 -9.147 13.856 1.826 1.00 0.00 C ATOM 267 CD GLN A 18 -9.660 14.404 3.146 1.00 0.00 C ATOM 268 OE1 GLN A 18 -9.636 13.722 4.173 1.00 0.00 O ATOM 269 NE2 GLN A 18 -10.102 15.651 3.136 1.00 0.00 N ATOM 0 H GLN A 18 -8.265 11.240 0.044 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.008 13.846 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.389 11.889 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.399 13.180 2.868 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.824 14.684 1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.962 13.356 1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.106 16.184 2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.438 16.080 3.998 1.00 0.00 H new ATOM 278 N CYS A 19 -5.441 11.060 0.827 1.00 0.00 N ATOM 279 CA CYS A 19 -4.078 10.562 0.927 1.00 0.00 C ATOM 280 C CYS A 19 -3.276 11.029 -0.284 1.00 0.00 C ATOM 281 O CYS A 19 -2.104 11.384 -0.164 1.00 0.00 O ATOM 282 CB CYS A 19 -4.040 9.031 1.048 1.00 0.00 C ATOM 283 SG CYS A 19 -2.363 8.328 0.931 1.00 0.00 S ATOM 0 H CYS A 19 -6.135 10.367 0.545 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.630 10.965 1.835 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.481 8.740 2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.661 8.598 0.264 1.00 0.00 H new ATOM 288 N LYS A 20 -3.929 11.074 -1.448 1.00 0.00 N ATOM 289 CA LYS A 20 -3.289 11.553 -2.659 1.00 0.00 C ATOM 290 C LYS A 20 -2.922 13.021 -2.491 1.00 0.00 C ATOM 291 O LYS A 20 -1.831 13.450 -2.852 1.00 0.00 O ATOM 292 CB LYS A 20 -4.198 11.295 -3.880 1.00 0.00 C ATOM 293 CG LYS A 20 -5.101 12.441 -4.333 1.00 0.00 C ATOM 294 CD LYS A 20 -4.325 13.473 -5.138 1.00 0.00 C ATOM 295 CE LYS A 20 -5.180 14.114 -6.223 1.00 0.00 C ATOM 296 NZ LYS A 20 -6.351 14.854 -5.673 1.00 0.00 N ATOM 0 H LYS A 20 -4.899 10.783 -1.570 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.364 11.005 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.563 11.013 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.830 10.436 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.918 12.046 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.550 12.919 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.950 14.247 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.457 12.998 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.565 14.799 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.532 13.341 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.675 15.557 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.122 14.185 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.075 15.337 -4.794 1.00 0.00 H new ATOM 310 N ASP A 21 -3.834 13.776 -1.904 1.00 0.00 N ATOM 311 CA ASP A 21 -3.628 15.199 -1.692 1.00 0.00 C ATOM 312 C ASP A 21 -2.582 15.447 -0.609 1.00 0.00 C ATOM 313 O ASP A 21 -1.701 16.289 -0.769 1.00 0.00 O ATOM 314 CB ASP A 21 -4.949 15.869 -1.313 1.00 0.00 C ATOM 315 CG ASP A 21 -4.841 17.377 -1.252 1.00 0.00 C ATOM 316 OD1 ASP A 21 -4.831 18.012 -2.325 1.00 0.00 O ATOM 317 OD2 ASP A 21 -4.788 17.928 -0.135 1.00 0.00 O ATOM 0 H ASP A 21 -4.729 13.425 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.261 15.633 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.714 15.592 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.278 15.493 -0.344 1.00 0.00 H new ATOM 322 N GLU A 22 -2.659 14.684 0.476 1.00 0.00 N ATOM 323 CA GLU A 22 -1.788 14.900 1.625 1.00 0.00 C ATOM 324 C GLU A 22 -0.342 14.511 1.309 1.00 0.00 C ATOM 325 O GLU A 22 0.593 15.222 1.677 1.00 0.00 O ATOM 326 CB GLU A 22 -2.298 14.105 2.826 1.00 0.00 C ATOM 327 CG GLU A 22 -1.837 14.649 4.167 1.00 0.00 C ATOM 328 CD GLU A 22 -2.298 13.789 5.322 1.00 0.00 C ATOM 329 OE1 GLU A 22 -3.466 13.923 5.746 1.00 0.00 O ATOM 330 OE2 GLU A 22 -1.496 12.972 5.816 1.00 0.00 O ATOM 0 H GLU A 22 -3.315 13.911 0.584 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.804 15.963 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.388 14.094 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.967 13.071 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.749 14.714 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.218 15.662 4.296 1.00 0.00 H new ATOM 337 N LEU A 23 -0.158 13.395 0.606 1.00 0.00 N ATOM 338 CA LEU A 23 1.183 12.902 0.297 1.00 0.00 C ATOM 339 C LEU A 23 1.755 13.591 -0.932 1.00 0.00 C ATOM 340 O LEU A 23 2.867 13.285 -1.372 1.00 0.00 O ATOM 341 CB LEU A 23 1.173 11.384 0.109 1.00 0.00 C ATOM 342 CG LEU A 23 0.726 10.599 1.336 1.00 0.00 C ATOM 343 CD1 LEU A 23 1.123 9.134 1.222 1.00 0.00 C ATOM 344 CD2 LEU A 23 1.324 11.242 2.564 1.00 0.00 C ATOM 0 H LEU A 23 -0.916 12.818 0.241 1.00 0.00 H new ATOM 0 HA LEU A 23 1.827 13.140 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.514 11.138 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.175 11.058 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.361 10.623 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.792 8.597 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.655 8.698 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.207 9.056 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.013 10.691 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.411 11.226 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.980 12.274 2.639 1.00 0.00 H new ATOM 356 N SER A 24 0.971 14.510 -1.479 1.00 0.00 N ATOM 357 CA SER A 24 1.365 15.304 -2.636 1.00 0.00 C ATOM 358 C SER A 24 1.483 14.427 -3.877 1.00 0.00 C ATOM 359 O SER A 24 2.306 14.676 -4.759 1.00 0.00 O ATOM 360 CB SER A 24 2.683 16.024 -2.352 1.00 0.00 C ATOM 361 OG SER A 24 2.589 16.805 -1.169 1.00 0.00 O ATOM 0 H SER A 24 0.037 14.727 -1.130 1.00 0.00 H new ATOM 0 HA SER A 24 0.595 16.051 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.486 15.294 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.942 16.664 -3.196 1.00 0.00 H new ATOM 0 HG SER A 24 3.444 17.255 -1.006 1.00 0.00 H new ATOM 367 N LEU A 25 0.652 13.393 -3.923 1.00 0.00 N ATOM 368 CA LEU A 25 0.566 12.519 -5.090 1.00 0.00 C ATOM 369 C LEU A 25 0.109 13.276 -6.328 1.00 0.00 C ATOM 370 O LEU A 25 -0.968 13.878 -6.340 1.00 0.00 O ATOM 371 CB LEU A 25 -0.391 11.350 -4.830 1.00 0.00 C ATOM 372 CG LEU A 25 0.232 10.121 -4.169 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.999 10.500 -2.924 1.00 0.00 C ATOM 374 CD2 LEU A 25 -0.835 9.111 -3.816 1.00 0.00 C ATOM 0 H LEU A 25 0.024 13.137 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 25 1.569 12.133 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.207 11.705 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.831 11.046 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 25 0.925 9.679 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.431 9.605 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.796 11.196 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.324 10.973 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.373 8.243 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.548 9.561 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.355 8.800 -4.722 1.00 0.00 H new ATOM 386 N PRO A 26 0.936 13.262 -7.383 1.00 0.00 N ATOM 387 CA PRO A 26 0.575 13.825 -8.681 1.00 0.00 C ATOM 388 C PRO A 26 -0.476 12.967 -9.381 1.00 0.00 C ATOM 389 O PRO A 26 -0.638 11.782 -9.060 1.00 0.00 O ATOM 390 CB PRO A 26 1.892 13.817 -9.472 1.00 0.00 C ATOM 391 CG PRO A 26 2.960 13.513 -8.473 1.00 0.00 C ATOM 392 CD PRO A 26 2.300 12.716 -7.389 1.00 0.00 C ATOM 0 HA PRO A 26 0.140 14.821 -8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.870 13.067 -10.262 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.067 14.780 -9.952 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.773 12.950 -8.931 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.393 14.430 -8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.309 11.648 -7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.795 12.850 -6.427 1.00 0.00 H new ATOM 400 N ASP A 27 -1.175 13.553 -10.346 1.00 0.00 N ATOM 401 CA ASP A 27 -2.262 12.855 -11.032 1.00 0.00 C ATOM 402 C ASP A 27 -1.731 11.731 -11.911 1.00 0.00 C ATOM 403 O ASP A 27 -2.477 10.835 -12.305 1.00 0.00 O ATOM 404 CB ASP A 27 -3.129 13.819 -11.849 1.00 0.00 C ATOM 405 CG ASP A 27 -2.424 14.396 -13.061 1.00 0.00 C ATOM 406 OD1 ASP A 27 -1.715 15.415 -12.919 1.00 0.00 O ATOM 407 OD2 ASP A 27 -2.592 13.847 -14.168 1.00 0.00 O ATOM 0 H ASP A 27 -1.012 14.506 -10.672 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.894 12.413 -10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.027 13.296 -12.177 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.453 14.637 -11.205 1.00 0.00 H new ATOM 412 N SER A 28 -0.438 11.763 -12.193 1.00 0.00 N ATOM 413 CA SER A 28 0.211 10.689 -12.925 1.00 0.00 C ATOM 414 C SER A 28 0.176 9.395 -12.112 1.00 0.00 C ATOM 415 O SER A 28 -0.229 8.338 -12.605 1.00 0.00 O ATOM 416 CB SER A 28 1.656 11.091 -13.230 1.00 0.00 C ATOM 417 OG SER A 28 2.269 11.663 -12.081 1.00 0.00 O ATOM 0 H SER A 28 0.184 12.525 -11.924 1.00 0.00 H new ATOM 0 HA SER A 28 -0.320 10.515 -13.861 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.222 10.217 -13.554 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.675 11.806 -14.053 1.00 0.00 H new ATOM 0 HG SER A 28 3.193 11.913 -12.293 1.00 0.00 H new ATOM 423 N VAL A 29 0.568 9.499 -10.849 1.00 0.00 N ATOM 424 CA VAL A 29 0.639 8.341 -9.977 1.00 0.00 C ATOM 425 C VAL A 29 -0.750 7.838 -9.614 1.00 0.00 C ATOM 426 O VAL A 29 -1.008 6.639 -9.678 1.00 0.00 O ATOM 427 CB VAL A 29 1.416 8.640 -8.686 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.571 7.385 -7.862 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.775 9.238 -8.990 1.00 0.00 C ATOM 0 H VAL A 29 0.842 10.377 -10.408 1.00 0.00 H new ATOM 0 HA VAL A 29 1.171 7.570 -10.534 1.00 0.00 H new ATOM 0 HB VAL A 29 0.845 9.371 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.124 7.614 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.586 6.997 -7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.115 6.636 -8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.301 9.439 -8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.355 8.537 -9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.648 10.169 -9.542 1.00 0.00 H new ATOM 439 N VAL A 30 -1.646 8.755 -9.246 1.00 0.00 N ATOM 440 CA VAL A 30 -3.016 8.376 -8.900 1.00 0.00 C ATOM 441 C VAL A 30 -3.684 7.679 -10.089 1.00 0.00 C ATOM 442 O VAL A 30 -4.539 6.814 -9.916 1.00 0.00 O ATOM 443 CB VAL A 30 -3.864 9.588 -8.458 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.169 10.331 -7.334 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.162 10.524 -9.617 1.00 0.00 C ATOM 0 H VAL A 30 -1.451 9.754 -9.180 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.959 7.690 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.820 9.210 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.777 11.184 -7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.034 9.662 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.196 10.683 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.761 11.363 -9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.226 10.896 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.713 9.985 -10.388 1.00 0.00 H new ATOM 455 N ALA A 31 -3.265 8.059 -11.295 1.00 0.00 N ATOM 456 CA ALA A 31 -3.768 7.449 -12.523 1.00 0.00 C ATOM 457 C ALA A 31 -3.367 5.983 -12.632 1.00 0.00 C ATOM 458 O ALA A 31 -4.212 5.120 -12.863 1.00 0.00 O ATOM 459 CB ALA A 31 -3.246 8.199 -13.729 1.00 0.00 C ATOM 0 H ALA A 31 -2.573 8.793 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.856 7.505 -12.491 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.627 7.735 -14.639 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.577 9.236 -13.684 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.157 8.166 -13.734 1.00 0.00 H new ATOM 465 N ASP A 32 -2.074 5.703 -12.482 1.00 0.00 N ATOM 466 CA ASP A 32 -1.598 4.319 -12.521 1.00 0.00 C ATOM 467 C ASP A 32 -2.119 3.552 -11.321 1.00 0.00 C ATOM 468 O ASP A 32 -2.440 2.366 -11.414 1.00 0.00 O ATOM 469 CB ASP A 32 -0.070 4.246 -12.569 1.00 0.00 C ATOM 470 CG ASP A 32 0.466 4.349 -13.981 1.00 0.00 C ATOM 471 OD1 ASP A 32 -0.057 3.640 -14.870 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.423 5.116 -14.206 1.00 0.00 O ATOM 0 H ASP A 32 -1.346 6.402 -12.335 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.981 3.864 -13.434 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.349 5.050 -11.964 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.261 3.307 -12.125 1.00 0.00 H new ATOM 477 N LEU A 33 -2.197 4.248 -10.200 1.00 0.00 N ATOM 478 CA LEU A 33 -2.803 3.722 -8.987 1.00 0.00 C ATOM 479 C LEU A 33 -4.212 3.189 -9.259 1.00 0.00 C ATOM 480 O LEU A 33 -4.512 2.033 -8.958 1.00 0.00 O ATOM 481 CB LEU A 33 -2.821 4.835 -7.938 1.00 0.00 C ATOM 482 CG LEU A 33 -3.788 4.671 -6.770 1.00 0.00 C ATOM 483 CD1 LEU A 33 -3.027 4.733 -5.461 1.00 0.00 C ATOM 484 CD2 LEU A 33 -4.834 5.766 -6.825 1.00 0.00 C ATOM 0 H LEU A 33 -1.840 5.199 -10.104 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.218 2.880 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.814 4.934 -7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.055 5.772 -8.443 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.284 3.703 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.722 4.615 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.288 3.933 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.523 5.696 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.526 5.650 -5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.346 6.739 -6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.383 5.698 -7.764 1.00 0.00 H new ATOM 496 N TYR A 34 -5.072 4.031 -9.826 1.00 0.00 N ATOM 497 CA TYR A 34 -6.440 3.621 -10.173 1.00 0.00 C ATOM 498 C TYR A 34 -6.567 2.564 -11.299 1.00 0.00 C ATOM 499 O TYR A 34 -7.678 2.336 -11.774 1.00 0.00 O ATOM 500 CB TYR A 34 -7.300 4.846 -10.491 1.00 0.00 C ATOM 501 CG TYR A 34 -7.723 5.573 -9.238 1.00 0.00 C ATOM 502 CD1 TYR A 34 -8.325 4.876 -8.200 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.501 6.935 -9.075 1.00 0.00 C ATOM 504 CE1 TYR A 34 -8.694 5.508 -7.035 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.876 7.579 -7.909 1.00 0.00 C ATOM 506 CZ TYR A 34 -8.468 6.857 -6.892 1.00 0.00 C ATOM 507 OH TYR A 34 -8.821 7.478 -5.719 1.00 0.00 O ATOM 0 H TYR A 34 -4.852 5.000 -10.057 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.806 3.113 -9.281 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.741 5.525 -11.135 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.184 4.535 -11.047 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.507 3.817 -8.309 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.030 7.498 -9.868 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.159 4.948 -6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.707 8.640 -7.795 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.596 8.430 -5.773 1.00 0.00 H new ATOM 517 N ASN A 35 -5.477 1.918 -11.739 1.00 0.00 N ATOM 518 CA ASN A 35 -5.584 0.895 -12.771 1.00 0.00 C ATOM 519 C ASN A 35 -6.403 -0.286 -12.255 1.00 0.00 C ATOM 520 O ASN A 35 -6.022 -0.936 -11.279 1.00 0.00 O ATOM 521 CB ASN A 35 -4.194 0.415 -13.198 1.00 0.00 C ATOM 522 CG ASN A 35 -4.258 -0.709 -14.211 1.00 0.00 C ATOM 523 OD1 ASN A 35 -5.187 -0.788 -15.009 1.00 0.00 O ATOM 524 ND2 ASN A 35 -3.270 -1.588 -14.183 1.00 0.00 N ATOM 0 H ASN A 35 -4.530 2.087 -11.399 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.086 1.329 -13.636 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.638 1.251 -13.622 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.643 0.078 -12.320 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.262 -2.367 -14.841 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.516 -1.486 -13.504 1.00 0.00 H new ATOM 531 N PHE A 36 -7.528 -0.554 -12.905 1.00 0.00 N ATOM 532 CA PHE A 36 -8.434 -1.599 -12.450 1.00 0.00 C ATOM 533 C PHE A 36 -8.142 -2.938 -13.118 1.00 0.00 C ATOM 534 O PHE A 36 -8.250 -3.985 -12.479 1.00 0.00 O ATOM 535 CB PHE A 36 -9.889 -1.202 -12.708 1.00 0.00 C ATOM 536 CG PHE A 36 -10.324 0.015 -11.941 1.00 0.00 C ATOM 537 CD1 PHE A 36 -10.406 -0.015 -10.558 1.00 0.00 C ATOM 538 CD2 PHE A 36 -10.649 1.187 -12.603 1.00 0.00 C ATOM 539 CE1 PHE A 36 -10.805 1.103 -9.849 1.00 0.00 C ATOM 540 CE2 PHE A 36 -11.049 2.308 -11.899 1.00 0.00 C ATOM 541 CZ PHE A 36 -11.127 2.265 -10.521 1.00 0.00 C ATOM 0 H PHE A 36 -7.834 -0.064 -13.746 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.274 -1.714 -11.378 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.023 -1.017 -13.774 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.537 -2.038 -12.445 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.155 -0.922 -10.028 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.589 1.226 -13.681 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.865 1.067 -8.771 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -11.300 3.216 -12.426 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.440 3.139 -9.970 1.00 0.00 H new ATOM 551 N TRP A 37 -7.758 -2.917 -14.388 1.00 0.00 N ATOM 552 CA TRP A 37 -7.503 -4.159 -15.103 1.00 0.00 C ATOM 553 C TRP A 37 -6.152 -4.728 -14.702 1.00 0.00 C ATOM 554 O TRP A 37 -5.238 -3.989 -14.329 1.00 0.00 O ATOM 555 CB TRP A 37 -7.622 -3.984 -16.628 1.00 0.00 C ATOM 556 CG TRP A 37 -6.781 -2.890 -17.217 1.00 0.00 C ATOM 557 CD1 TRP A 37 -5.541 -3.020 -17.777 1.00 0.00 C ATOM 558 CD2 TRP A 37 -7.132 -1.507 -17.336 1.00 0.00 C ATOM 559 NE1 TRP A 37 -5.100 -1.801 -18.231 1.00 0.00 N ATOM 560 CE2 TRP A 37 -6.057 -0.856 -17.972 1.00 0.00 C ATOM 561 CE3 TRP A 37 -8.251 -0.754 -16.964 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -6.070 0.511 -18.242 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -8.261 0.602 -17.234 1.00 0.00 C ATOM 564 CH2 TRP A 37 -7.177 1.222 -17.867 1.00 0.00 C ATOM 0 H TRP A 37 -7.618 -2.068 -14.936 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.273 -4.876 -14.818 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.352 -4.925 -17.107 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -8.666 -3.789 -16.874 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.989 -3.945 -17.852 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.204 -1.628 -18.687 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -9.092 -1.223 -16.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.235 0.992 -18.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.120 1.193 -16.952 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.215 2.283 -18.063 1.00 0.00 H new ATOM 575 N LYS A 38 -6.038 -6.044 -14.774 1.00 0.00 N ATOM 576 CA LYS A 38 -4.906 -6.747 -14.196 1.00 0.00 C ATOM 577 C LYS A 38 -3.675 -6.686 -15.098 1.00 0.00 C ATOM 578 O LYS A 38 -3.172 -7.715 -15.560 1.00 0.00 O ATOM 579 CB LYS A 38 -5.272 -8.204 -13.886 1.00 0.00 C ATOM 580 CG LYS A 38 -6.360 -8.367 -12.826 1.00 0.00 C ATOM 581 CD LYS A 38 -7.757 -8.182 -13.401 1.00 0.00 C ATOM 582 CE LYS A 38 -8.831 -8.343 -12.336 1.00 0.00 C ATOM 583 NZ LYS A 38 -10.200 -8.279 -12.913 1.00 0.00 N ATOM 0 H LYS A 38 -6.720 -6.650 -15.230 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.655 -6.242 -13.263 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.602 -8.687 -14.806 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.376 -8.729 -13.554 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.282 -9.357 -12.377 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.199 -7.642 -12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.837 -7.193 -13.851 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.922 -8.909 -14.197 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.696 -9.297 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.717 -7.561 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.902 -8.393 -12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.338 -7.359 -13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.318 -9.040 -13.611 1.00 0.00 H new ATOM 597 N ASP A 39 -3.214 -5.469 -15.363 1.00 0.00 N ATOM 598 CA ASP A 39 -1.943 -5.253 -16.053 1.00 0.00 C ATOM 599 C ASP A 39 -0.781 -5.955 -15.336 1.00 0.00 C ATOM 600 O ASP A 39 0.131 -6.456 -15.994 1.00 0.00 O ATOM 601 CB ASP A 39 -1.642 -3.756 -16.170 1.00 0.00 C ATOM 602 CG ASP A 39 -0.319 -3.483 -16.864 1.00 0.00 C ATOM 603 OD1 ASP A 39 -0.250 -3.627 -18.104 1.00 0.00 O ATOM 604 OD2 ASP A 39 0.659 -3.119 -16.180 1.00 0.00 O ATOM 0 H ASP A 39 -3.703 -4.611 -15.110 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.040 -5.684 -17.050 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.446 -3.269 -16.722 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.625 -3.313 -15.174 1.00 0.00 H new ATOM 609 N ASP A 40 -0.816 -5.982 -13.996 1.00 0.00 N ATOM 610 CA ASP A 40 0.219 -6.639 -13.198 1.00 0.00 C ATOM 611 C ASP A 40 1.575 -6.013 -13.484 1.00 0.00 C ATOM 612 O ASP A 40 2.422 -6.594 -14.166 1.00 0.00 O ATOM 613 CB ASP A 40 0.243 -8.154 -13.448 1.00 0.00 C ATOM 614 CG ASP A 40 1.272 -8.881 -12.598 1.00 0.00 C ATOM 615 OD1 ASP A 40 1.372 -8.590 -11.386 1.00 0.00 O ATOM 616 OD2 ASP A 40 1.965 -9.776 -13.134 1.00 0.00 O ATOM 0 H ASP A 40 -1.557 -5.552 -13.443 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.016 -6.491 -12.144 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.745 -8.566 -13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.454 -8.339 -14.501 1.00 0.00 H new ATOM 621 N TYR A 41 1.744 -4.791 -13.013 1.00 0.00 N ATOM 622 CA TYR A 41 2.978 -4.058 -13.219 1.00 0.00 C ATOM 623 C TYR A 41 3.834 -4.079 -11.957 1.00 0.00 C ATOM 624 O TYR A 41 3.357 -4.436 -10.877 1.00 0.00 O ATOM 625 CB TYR A 41 2.687 -2.610 -13.667 1.00 0.00 C ATOM 626 CG TYR A 41 1.731 -1.814 -12.789 1.00 0.00 C ATOM 627 CD1 TYR A 41 1.520 -2.139 -11.456 1.00 0.00 C ATOM 628 CD2 TYR A 41 1.044 -0.723 -13.307 1.00 0.00 C ATOM 629 CE1 TYR A 41 0.658 -1.406 -10.667 1.00 0.00 C ATOM 630 CE2 TYR A 41 0.182 0.021 -12.523 1.00 0.00 C ATOM 631 CZ TYR A 41 -0.008 -0.329 -11.203 1.00 0.00 C ATOM 632 OH TYR A 41 -0.862 0.404 -10.410 1.00 0.00 O ATOM 0 H TYR A 41 1.037 -4.283 -12.482 1.00 0.00 H new ATOM 0 HA TYR A 41 3.538 -4.549 -14.015 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.633 -2.071 -13.720 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.280 -2.639 -14.678 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.041 -2.983 -11.028 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.186 -0.451 -14.342 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.507 -1.677 -9.633 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.339 0.870 -12.941 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.350 1.048 -10.964 1.00 0.00 H new ATOM 642 N VAL A 42 5.098 -3.727 -12.101 1.00 0.00 N ATOM 643 CA VAL A 42 5.974 -3.579 -10.955 1.00 0.00 C ATOM 644 C VAL A 42 5.823 -2.177 -10.378 1.00 0.00 C ATOM 645 O VAL A 42 6.140 -1.186 -11.040 1.00 0.00 O ATOM 646 CB VAL A 42 7.450 -3.830 -11.335 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.350 -3.728 -10.113 1.00 0.00 C ATOM 648 CG2 VAL A 42 7.605 -5.185 -12.007 1.00 0.00 C ATOM 0 H VAL A 42 5.541 -3.538 -13.000 1.00 0.00 H new ATOM 0 HA VAL A 42 5.688 -4.322 -10.210 1.00 0.00 H new ATOM 0 HB VAL A 42 7.755 -3.059 -12.043 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.384 -3.909 -10.407 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.264 -2.731 -9.680 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.047 -4.471 -9.375 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.651 -5.344 -12.268 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.278 -5.969 -11.324 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.997 -5.214 -12.911 1.00 0.00 H new ATOM 658 N MET A 43 5.320 -2.095 -9.152 1.00 0.00 N ATOM 659 CA MET A 43 5.083 -0.808 -8.511 1.00 0.00 C ATOM 660 C MET A 43 6.406 -0.173 -8.113 1.00 0.00 C ATOM 661 O MET A 43 6.991 -0.532 -7.102 1.00 0.00 O ATOM 662 CB MET A 43 4.184 -0.979 -7.281 1.00 0.00 C ATOM 663 CG MET A 43 3.815 0.329 -6.599 1.00 0.00 C ATOM 664 SD MET A 43 2.469 0.138 -5.410 1.00 0.00 S ATOM 665 CE MET A 43 3.135 -1.125 -4.328 1.00 0.00 C ATOM 0 H MET A 43 5.069 -2.903 -8.583 1.00 0.00 H new ATOM 0 HA MET A 43 4.576 -0.153 -9.220 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.270 -1.492 -7.580 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.689 -1.623 -6.561 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.692 0.728 -6.089 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.526 1.059 -7.355 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.470 -1.988 -4.324 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.120 -1.427 -4.685 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.222 -0.729 -3.316 1.00 0.00 H new ATOM 675 N THR A 44 6.886 0.748 -8.928 1.00 0.00 N ATOM 676 CA THR A 44 8.183 1.357 -8.695 1.00 0.00 C ATOM 677 C THR A 44 8.057 2.818 -8.280 1.00 0.00 C ATOM 678 O THR A 44 9.034 3.438 -7.866 1.00 0.00 O ATOM 679 CB THR A 44 9.079 1.241 -9.942 1.00 0.00 C ATOM 680 OG1 THR A 44 8.315 1.516 -11.125 1.00 0.00 O ATOM 681 CG2 THR A 44 9.697 -0.146 -10.040 1.00 0.00 C ATOM 0 H THR A 44 6.398 1.091 -9.756 1.00 0.00 H new ATOM 0 HA THR A 44 8.647 0.811 -7.874 1.00 0.00 H new ATOM 0 HB THR A 44 9.882 1.972 -9.852 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.893 1.442 -11.913 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.325 -0.202 -10.929 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.303 -0.338 -9.155 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.906 -0.893 -10.107 1.00 0.00 H new ATOM 689 N ASP A 45 6.859 3.375 -8.386 1.00 0.00 N ATOM 690 CA ASP A 45 6.645 4.756 -7.982 1.00 0.00 C ATOM 691 C ASP A 45 6.482 4.848 -6.483 1.00 0.00 C ATOM 692 O ASP A 45 5.735 4.087 -5.861 1.00 0.00 O ATOM 693 CB ASP A 45 5.443 5.373 -8.690 1.00 0.00 C ATOM 694 CG ASP A 45 5.465 6.886 -8.608 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.313 7.432 -7.493 1.00 0.00 O ATOM 696 OD2 ASP A 45 5.680 7.533 -9.654 1.00 0.00 O ATOM 0 H ASP A 45 6.031 2.899 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 45 7.526 5.326 -8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.438 5.065 -9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.523 4.997 -8.242 1.00 0.00 H new ATOM 701 N ARG A 46 7.175 5.816 -5.923 1.00 0.00 N ATOM 702 CA ARG A 46 7.303 5.949 -4.490 1.00 0.00 C ATOM 703 C ARG A 46 5.999 6.442 -3.877 1.00 0.00 C ATOM 704 O ARG A 46 5.670 6.115 -2.733 1.00 0.00 O ATOM 705 CB ARG A 46 8.448 6.910 -4.150 1.00 0.00 C ATOM 706 CG ARG A 46 9.846 6.374 -4.458 1.00 0.00 C ATOM 707 CD ARG A 46 10.102 6.243 -5.954 1.00 0.00 C ATOM 708 NE ARG A 46 11.290 5.440 -6.228 1.00 0.00 N ATOM 709 CZ ARG A 46 11.663 5.045 -7.443 1.00 0.00 C ATOM 710 NH1 ARG A 46 11.036 5.499 -8.521 1.00 0.00 N ATOM 711 NH2 ARG A 46 12.694 4.225 -7.582 1.00 0.00 N ATOM 0 H ARG A 46 7.667 6.536 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 46 7.529 4.969 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.300 7.839 -4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.394 7.157 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.591 7.039 -4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.971 5.400 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.236 5.787 -6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.223 7.234 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 46 11.872 5.164 -5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.262 6.156 -8.422 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.328 5.191 -9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.200 3.898 -6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.982 3.921 -8.512 1.00 0.00 H new ATOM 725 N LEU A 47 5.242 7.204 -4.656 1.00 0.00 N ATOM 726 CA LEU A 47 3.985 7.755 -4.182 1.00 0.00 C ATOM 727 C LEU A 47 2.906 6.680 -4.160 1.00 0.00 C ATOM 728 O LEU A 47 1.879 6.830 -3.498 1.00 0.00 O ATOM 729 CB LEU A 47 3.547 8.957 -5.041 1.00 0.00 C ATOM 730 CG LEU A 47 4.300 10.261 -4.774 1.00 0.00 C ATOM 731 CD1 LEU A 47 4.342 10.553 -3.285 1.00 0.00 C ATOM 732 CD2 LEU A 47 5.696 10.219 -5.367 1.00 0.00 C ATOM 0 H LEU A 47 5.478 7.453 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 47 4.134 8.113 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.669 8.695 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.483 9.131 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 47 3.763 11.073 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.881 11.484 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.325 10.646 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.850 9.738 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.207 11.159 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.256 9.397 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.629 10.071 -6.445 1.00 0.00 H new ATOM 744 N ALA A 48 3.167 5.568 -4.840 1.00 0.00 N ATOM 745 CA ALA A 48 2.203 4.489 -4.909 1.00 0.00 C ATOM 746 C ALA A 48 2.358 3.619 -3.688 1.00 0.00 C ATOM 747 O ALA A 48 1.414 3.433 -2.927 1.00 0.00 O ATOM 748 CB ALA A 48 2.390 3.686 -6.180 1.00 0.00 C ATOM 0 H ALA A 48 4.035 5.396 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 48 1.193 4.899 -4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.656 2.880 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.254 4.336 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.394 3.263 -6.199 1.00 0.00 H new ATOM 754 N GLY A 49 3.564 3.080 -3.526 1.00 0.00 N ATOM 755 CA GLY A 49 3.950 2.449 -2.270 1.00 0.00 C ATOM 756 C GLY A 49 3.419 3.162 -1.023 1.00 0.00 C ATOM 757 O GLY A 49 2.868 2.511 -0.138 1.00 0.00 O ATOM 0 H GLY A 49 4.287 3.068 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.591 1.420 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.038 2.407 -2.216 1.00 0.00 H new ATOM 761 N CYS A 50 3.563 4.494 -0.942 1.00 0.00 N ATOM 762 CA CYS A 50 3.051 5.231 0.209 1.00 0.00 C ATOM 763 C CYS A 50 1.521 5.193 0.269 1.00 0.00 C ATOM 764 O CYS A 50 0.947 4.951 1.333 1.00 0.00 O ATOM 765 CB CYS A 50 3.535 6.687 0.186 1.00 0.00 C ATOM 766 SG CYS A 50 5.189 6.967 0.915 1.00 0.00 S ATOM 0 H CYS A 50 4.022 5.068 -1.649 1.00 0.00 H new ATOM 0 HA CYS A 50 3.440 4.741 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.547 7.033 -0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.811 7.303 0.720 1.00 0.00 H new ATOM 771 N ALA A 51 0.865 5.391 -0.874 1.00 0.00 N ATOM 772 CA ALA A 51 -0.598 5.432 -0.920 1.00 0.00 C ATOM 773 C ALA A 51 -1.215 4.068 -0.617 1.00 0.00 C ATOM 774 O ALA A 51 -2.360 3.977 -0.175 1.00 0.00 O ATOM 775 CB ALA A 51 -1.067 5.924 -2.279 1.00 0.00 C ATOM 0 H ALA A 51 1.320 5.525 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.931 6.126 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.156 5.950 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.677 6.926 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.705 5.250 -3.055 1.00 0.00 H new ATOM 781 N ILE A 52 -0.448 3.011 -0.847 1.00 0.00 N ATOM 782 CA ILE A 52 -0.908 1.656 -0.574 1.00 0.00 C ATOM 783 C ILE A 52 -1.121 1.446 0.924 1.00 0.00 C ATOM 784 O ILE A 52 -2.023 0.714 1.341 1.00 0.00 O ATOM 785 CB ILE A 52 0.094 0.604 -1.117 1.00 0.00 C ATOM 786 CG1 ILE A 52 0.161 0.672 -2.646 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.272 -0.804 -0.665 1.00 0.00 C ATOM 788 CD1 ILE A 52 -1.169 0.437 -3.332 1.00 0.00 C ATOM 0 H ILE A 52 0.499 3.066 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.860 1.524 -1.087 1.00 0.00 H new ATOM 0 HB ILE A 52 1.076 0.839 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.542 1.650 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.877 -0.069 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.452 -1.514 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.263 -0.850 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.267 -1.056 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.038 0.501 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.543 -0.553 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.884 1.193 -3.008 1.00 0.00 H new ATOM 800 N ASN A 53 -0.312 2.119 1.731 1.00 0.00 N ATOM 801 CA ASN A 53 -0.373 1.944 3.175 1.00 0.00 C ATOM 802 C ASN A 53 -0.403 3.284 3.899 1.00 0.00 C ATOM 803 O ASN A 53 0.410 3.543 4.780 1.00 0.00 O ATOM 804 CB ASN A 53 0.802 1.075 3.671 1.00 0.00 C ATOM 805 CG ASN A 53 2.172 1.482 3.126 1.00 0.00 C ATOM 806 OD1 ASN A 53 3.034 0.631 2.912 1.00 0.00 O ATOM 807 ND2 ASN A 53 2.403 2.773 2.926 1.00 0.00 N ATOM 0 H ASN A 53 0.390 2.787 1.413 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.303 1.425 3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.832 1.116 4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.610 0.038 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.314 3.081 2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.670 3.457 3.112 1.00 0.00 H new ATOM 814 N CYS A 54 -1.343 4.140 3.524 1.00 0.00 N ATOM 815 CA CYS A 54 -1.473 5.438 4.174 1.00 0.00 C ATOM 816 C CYS A 54 -2.801 5.561 4.926 1.00 0.00 C ATOM 817 O CYS A 54 -2.825 6.023 6.065 1.00 0.00 O ATOM 818 CB CYS A 54 -1.329 6.568 3.154 1.00 0.00 C ATOM 819 SG CYS A 54 -2.530 6.502 1.792 1.00 0.00 S ATOM 0 H CYS A 54 -2.020 3.963 2.782 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.669 5.522 4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.434 7.523 3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.322 6.540 2.737 1.00 0.00 H new ATOM 824 N LEU A 55 -3.898 5.123 4.300 1.00 0.00 N ATOM 825 CA LEU A 55 -5.239 5.258 4.894 1.00 0.00 C ATOM 826 C LEU A 55 -5.298 4.643 6.290 1.00 0.00 C ATOM 827 O LEU A 55 -5.804 5.254 7.238 1.00 0.00 O ATOM 828 CB LEU A 55 -6.322 4.611 4.013 1.00 0.00 C ATOM 829 CG LEU A 55 -6.796 5.435 2.807 1.00 0.00 C ATOM 830 CD1 LEU A 55 -5.732 5.482 1.722 1.00 0.00 C ATOM 831 CD2 LEU A 55 -8.090 4.860 2.254 1.00 0.00 C ATOM 0 H LEU A 55 -3.888 4.673 3.385 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.435 6.328 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.942 3.657 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.187 4.391 4.639 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.978 6.456 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.096 6.072 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.826 5.938 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.510 4.469 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.416 5.453 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.925 3.830 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.858 4.885 3.027 1.00 0.00 H new ATOM 843 N ALA A 56 -4.716 3.464 6.432 1.00 0.00 N ATOM 844 CA ALA A 56 -4.821 2.717 7.673 1.00 0.00 C ATOM 845 C ALA A 56 -3.842 3.259 8.699 1.00 0.00 C ATOM 846 O ALA A 56 -3.920 2.934 9.882 1.00 0.00 O ATOM 847 CB ALA A 56 -4.560 1.242 7.414 1.00 0.00 C ATOM 0 H ALA A 56 -4.167 3.005 5.705 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.830 2.829 8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.641 0.688 8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.294 0.862 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.558 1.116 7.003 1.00 0.00 H new ATOM 853 N THR A 57 -2.930 4.105 8.244 1.00 0.00 N ATOM 854 CA THR A 57 -2.021 4.778 9.144 1.00 0.00 C ATOM 855 C THR A 57 -2.681 6.016 9.728 1.00 0.00 C ATOM 856 O THR A 57 -2.443 6.395 10.877 1.00 0.00 O ATOM 857 CB THR A 57 -0.709 5.171 8.445 1.00 0.00 C ATOM 858 OG1 THR A 57 -0.202 4.054 7.706 1.00 0.00 O ATOM 859 CG2 THR A 57 0.305 5.595 9.477 1.00 0.00 C ATOM 0 H THR A 57 -2.804 4.338 7.259 1.00 0.00 H new ATOM 0 HA THR A 57 -1.778 4.079 9.945 1.00 0.00 H new ATOM 0 HB THR A 57 -0.899 5.999 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.148 4.288 6.756 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.235 5.873 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.079 6.449 10.034 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.493 4.769 10.163 1.00 0.00 H new ATOM 867 N LYS A 58 -3.524 6.629 8.921 1.00 0.00 N ATOM 868 CA LYS A 58 -4.229 7.831 9.321 1.00 0.00 C ATOM 869 C LYS A 58 -5.300 7.523 10.363 1.00 0.00 C ATOM 870 O LYS A 58 -5.595 8.365 11.209 1.00 0.00 O ATOM 871 CB LYS A 58 -4.846 8.504 8.094 1.00 0.00 C ATOM 872 CG LYS A 58 -3.855 8.760 6.956 1.00 0.00 C ATOM 873 CD LYS A 58 -2.995 10.005 7.172 1.00 0.00 C ATOM 874 CE LYS A 58 -3.801 11.157 7.753 1.00 0.00 C ATOM 875 NZ LYS A 58 -2.959 12.354 8.003 1.00 0.00 N ATOM 0 H LYS A 58 -3.739 6.311 7.976 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.513 8.514 9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.658 7.880 7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.287 9.453 8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.205 7.892 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.405 8.865 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.170 9.765 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.555 10.312 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.607 11.418 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.266 10.840 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.509 13.213 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.654 12.363 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.123 12.326 7.385 1.00 0.00 H new ATOM 889 N LEU A 59 -5.894 6.331 10.303 1.00 0.00 N ATOM 890 CA LEU A 59 -6.806 5.916 11.361 1.00 0.00 C ATOM 891 C LEU A 59 -6.055 5.737 12.685 1.00 0.00 C ATOM 892 O LEU A 59 -6.271 6.508 13.623 1.00 0.00 O ATOM 893 CB LEU A 59 -7.553 4.626 10.986 1.00 0.00 C ATOM 894 CG LEU A 59 -8.816 4.809 10.131 1.00 0.00 C ATOM 895 CD1 LEU A 59 -9.828 5.681 10.857 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.487 5.397 8.768 1.00 0.00 C ATOM 0 H LEU A 59 -5.763 5.653 9.552 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.547 6.706 11.486 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.865 3.973 10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.831 4.109 11.905 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.253 3.824 9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.717 5.800 10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.104 5.210 11.800 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.390 6.659 11.055 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.404 5.512 8.191 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.014 6.371 8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.807 4.730 8.239 1.00 0.00 H new ATOM 908 N ASP A 60 -5.170 4.738 12.760 1.00 0.00 N ATOM 909 CA ASP A 60 -4.397 4.477 13.982 1.00 0.00 C ATOM 910 C ASP A 60 -3.449 3.297 13.775 1.00 0.00 C ATOM 911 O ASP A 60 -3.905 2.199 13.448 1.00 0.00 O ATOM 912 CB ASP A 60 -5.332 4.181 15.158 1.00 0.00 C ATOM 913 CG ASP A 60 -4.605 4.155 16.484 1.00 0.00 C ATOM 914 OD1 ASP A 60 -4.248 5.240 16.991 1.00 0.00 O ATOM 915 OD2 ASP A 60 -4.393 3.054 17.032 1.00 0.00 O ATOM 0 H ASP A 60 -4.970 4.097 11.992 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.813 5.369 14.207 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.117 4.936 15.193 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.821 3.220 14.996 1.00 0.00 H new ATOM 920 N VAL A 61 -2.146 3.502 13.986 1.00 0.00 N ATOM 921 CA VAL A 61 -1.172 2.434 13.750 1.00 0.00 C ATOM 922 C VAL A 61 0.267 2.865 14.117 1.00 0.00 C ATOM 923 O VAL A 61 1.249 2.393 13.535 1.00 0.00 O ATOM 924 CB VAL A 61 -1.226 2.015 12.258 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.664 3.108 11.381 1.00 0.00 C ATOM 926 CG2 VAL A 61 -0.490 0.716 12.002 1.00 0.00 C ATOM 0 H VAL A 61 -1.747 4.381 14.314 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.435 1.593 14.392 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.275 1.855 12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.710 2.797 10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.249 4.018 11.514 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.373 3.299 11.657 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.555 0.463 10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.557 0.829 12.284 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.941 -0.081 12.594 1.00 0.00 H new ATOM 936 N VAL A 62 0.420 3.720 15.115 1.00 0.00 N ATOM 937 CA VAL A 62 1.755 4.193 15.459 1.00 0.00 C ATOM 938 C VAL A 62 2.309 3.462 16.692 1.00 0.00 C ATOM 939 O VAL A 62 1.663 3.395 17.740 1.00 0.00 O ATOM 940 CB VAL A 62 1.808 5.738 15.645 1.00 0.00 C ATOM 941 CG1 VAL A 62 1.051 6.444 14.525 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.286 6.181 17.002 1.00 0.00 C ATOM 0 H VAL A 62 -0.337 4.093 15.688 1.00 0.00 H new ATOM 0 HA VAL A 62 2.399 3.956 14.612 1.00 0.00 H new ATOM 0 HB VAL A 62 2.859 6.024 15.598 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.101 7.522 14.675 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.501 6.190 13.565 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.009 6.125 14.533 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.346 7.267 17.078 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.248 5.866 17.113 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.889 5.728 17.789 1.00 0.00 H new ATOM 952 N ASP A 63 3.477 2.834 16.525 1.00 0.00 N ATOM 953 CA ASP A 63 4.190 2.202 17.631 1.00 0.00 C ATOM 954 C ASP A 63 4.839 3.237 18.559 1.00 0.00 C ATOM 955 O ASP A 63 4.601 3.217 19.765 1.00 0.00 O ATOM 956 CB ASP A 63 5.266 1.249 17.089 1.00 0.00 C ATOM 957 CG ASP A 63 5.657 0.178 18.081 1.00 0.00 C ATOM 958 OD1 ASP A 63 4.766 -0.542 18.561 1.00 0.00 O ATOM 959 OD2 ASP A 63 6.865 0.033 18.347 1.00 0.00 O ATOM 0 H ASP A 63 3.949 2.752 15.625 1.00 0.00 H new ATOM 0 HA ASP A 63 3.459 1.641 18.213 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.900 0.777 16.177 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.150 1.825 16.816 1.00 0.00 H new ATOM 964 N PRO A 64 5.671 4.161 18.019 1.00 0.00 N ATOM 965 CA PRO A 64 6.471 5.074 18.811 1.00 0.00 C ATOM 966 C PRO A 64 5.916 6.502 18.824 1.00 0.00 C ATOM 967 O PRO A 64 4.705 6.711 18.884 1.00 0.00 O ATOM 968 CB PRO A 64 7.800 5.028 18.050 1.00 0.00 C ATOM 969 CG PRO A 64 7.437 4.659 16.634 1.00 0.00 C ATOM 970 CD PRO A 64 5.948 4.419 16.610 1.00 0.00 C ATOM 0 HA PRO A 64 6.519 4.797 19.864 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.308 5.992 18.087 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.477 4.294 18.486 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.710 5.458 15.945 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.977 3.767 16.317 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.399 5.283 16.236 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.679 3.573 15.978 1.00 0.00 H new ATOM 978 N ASP A 65 6.827 7.470 18.736 1.00 0.00 N ATOM 979 CA ASP A 65 6.499 8.895 18.828 1.00 0.00 C ATOM 980 C ASP A 65 5.797 9.420 17.576 1.00 0.00 C ATOM 981 O ASP A 65 5.507 10.614 17.472 1.00 0.00 O ATOM 982 CB ASP A 65 7.783 9.693 19.057 1.00 0.00 C ATOM 983 CG ASP A 65 8.441 9.360 20.378 1.00 0.00 C ATOM 984 OD1 ASP A 65 8.017 9.909 21.414 1.00 0.00 O ATOM 985 OD2 ASP A 65 9.375 8.530 20.389 1.00 0.00 O ATOM 0 H ASP A 65 7.821 7.288 18.598 1.00 0.00 H new ATOM 0 HA ASP A 65 5.810 9.017 19.663 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.482 9.492 18.245 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.556 10.759 19.026 1.00 0.00 H new ATOM 990 N GLY A 66 5.530 8.538 16.633 1.00 0.00 N ATOM 991 CA GLY A 66 4.904 8.946 15.392 1.00 0.00 C ATOM 992 C GLY A 66 5.482 8.198 14.212 1.00 0.00 C ATOM 993 O GLY A 66 4.868 7.267 13.684 1.00 0.00 O ATOM 0 H GLY A 66 5.735 7.541 16.702 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.830 8.767 15.448 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.041 10.018 15.248 1.00 0.00 H new ATOM 997 N ASN A 67 6.680 8.597 13.826 1.00 0.00 N ATOM 998 CA ASN A 67 7.415 7.951 12.748 1.00 0.00 C ATOM 999 C ASN A 67 8.019 6.635 13.220 1.00 0.00 C ATOM 1000 O ASN A 67 8.214 6.435 14.417 1.00 0.00 O ATOM 1001 CB ASN A 67 8.526 8.878 12.247 1.00 0.00 C ATOM 1002 CG ASN A 67 9.261 9.563 13.389 1.00 0.00 C ATOM 1003 OD1 ASN A 67 8.907 10.671 13.784 1.00 0.00 O ATOM 1004 ND2 ASN A 67 10.272 8.914 13.942 1.00 0.00 N ATOM 0 H ASN A 67 7.175 9.381 14.251 1.00 0.00 H new ATOM 0 HA ASN A 67 6.720 7.743 11.934 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.236 8.303 11.653 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.097 9.633 11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.782 9.332 14.720 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.541 7.995 13.591 1.00 0.00 H new ATOM 1011 N LEU A 68 8.293 5.741 12.268 1.00 0.00 N ATOM 1012 CA LEU A 68 8.949 4.457 12.542 1.00 0.00 C ATOM 1013 C LEU A 68 8.028 3.521 13.320 1.00 0.00 C ATOM 1014 O LEU A 68 8.478 2.717 14.139 1.00 0.00 O ATOM 1015 CB LEU A 68 10.281 4.649 13.293 1.00 0.00 C ATOM 1016 CG LEU A 68 11.497 5.052 12.438 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.795 3.999 11.380 1.00 0.00 C ATOM 1018 CD2 LEU A 68 11.288 6.410 11.784 1.00 0.00 C ATOM 0 H LEU A 68 8.067 5.885 11.284 1.00 0.00 H new ATOM 0 HA LEU A 68 9.170 3.998 11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.135 5.410 14.059 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.519 3.719 13.809 1.00 0.00 H new ATOM 0 HG LEU A 68 12.355 5.124 13.107 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.658 4.309 10.791 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.010 3.047 11.865 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.931 3.886 10.726 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.164 6.665 11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.409 6.372 11.140 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.141 7.166 12.555 1.00 0.00 H new ATOM 1030 N HIS A 69 6.737 3.613 13.036 1.00 0.00 N ATOM 1031 CA HIS A 69 5.753 2.735 13.651 1.00 0.00 C ATOM 1032 C HIS A 69 5.826 1.321 13.072 1.00 0.00 C ATOM 1033 O HIS A 69 5.060 0.960 12.189 1.00 0.00 O ATOM 1034 CB HIS A 69 4.339 3.314 13.496 1.00 0.00 C ATOM 1035 CG HIS A 69 3.997 3.800 12.113 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.421 3.000 11.148 1.00 0.00 N ATOM 1037 CD2 HIS A 69 4.148 5.019 11.544 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.237 3.706 10.048 1.00 0.00 C ATOM 1039 NE2 HIS A 69 3.669 4.934 10.262 1.00 0.00 N ATOM 0 H HIS A 69 6.346 4.290 12.381 1.00 0.00 H new ATOM 0 HA HIS A 69 5.985 2.669 14.714 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.617 2.551 13.785 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.224 4.143 14.195 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.568 5.896 12.013 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.806 3.340 9.128 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.650 5.696 9.584 1.00 0.00 H new ATOM 1048 N HIS A 70 6.791 0.547 13.554 1.00 0.00 N ATOM 1049 CA HIS A 70 6.984 -0.826 13.086 1.00 0.00 C ATOM 1050 C HIS A 70 6.137 -1.838 13.873 1.00 0.00 C ATOM 1051 O HIS A 70 5.314 -2.550 13.293 1.00 0.00 O ATOM 1052 CB HIS A 70 8.477 -1.216 13.126 1.00 0.00 C ATOM 1053 CG HIS A 70 9.106 -1.206 14.492 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.598 -2.338 15.101 1.00 0.00 N ATOM 1055 CD2 HIS A 70 9.336 -0.191 15.356 1.00 0.00 C ATOM 1056 CE1 HIS A 70 10.104 -2.020 16.278 1.00 0.00 C ATOM 1057 NE2 HIS A 70 9.957 -0.724 16.454 1.00 0.00 N ATOM 0 H HIS A 70 7.454 0.844 14.270 1.00 0.00 H new ATOM 0 HA HIS A 70 6.642 -0.859 12.052 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.587 -2.213 12.701 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.032 -0.532 12.483 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.078 0.847 15.207 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.560 -2.706 16.977 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.257 -0.201 17.276 1.00 0.00 H new ATOM 1066 N GLY A 71 6.318 -1.871 15.194 1.00 0.00 N ATOM 1067 CA GLY A 71 5.751 -2.936 16.005 1.00 0.00 C ATOM 1068 C GLY A 71 4.238 -2.976 15.959 1.00 0.00 C ATOM 1069 O GLY A 71 3.646 -3.953 15.493 1.00 0.00 O ATOM 0 H GLY A 71 6.850 -1.175 15.717 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.144 -3.893 15.663 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.074 -2.809 17.038 1.00 0.00 H new ATOM 1073 N ASN A 72 3.618 -1.910 16.441 1.00 0.00 N ATOM 1074 CA ASN A 72 2.161 -1.793 16.463 1.00 0.00 C ATOM 1075 C ASN A 72 1.554 -1.886 15.054 1.00 0.00 C ATOM 1076 O ASN A 72 0.388 -2.241 14.901 1.00 0.00 O ATOM 1077 CB ASN A 72 1.759 -0.479 17.147 1.00 0.00 C ATOM 1078 CG ASN A 72 0.287 -0.428 17.513 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -0.362 -1.457 17.685 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -0.242 0.774 17.675 1.00 0.00 N ATOM 0 H ASN A 72 4.105 -1.102 16.828 1.00 0.00 H new ATOM 0 HA ASN A 72 1.762 -2.632 17.033 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.357 -0.347 18.049 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.992 0.355 16.485 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.219 0.868 17.952 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.328 1.607 17.523 1.00 0.00 H new ATOM 1087 N ALA A 73 2.345 -1.588 14.022 1.00 0.00 N ATOM 1088 CA ALA A 73 1.861 -1.670 12.647 1.00 0.00 C ATOM 1089 C ALA A 73 1.705 -3.120 12.210 1.00 0.00 C ATOM 1090 O ALA A 73 0.795 -3.461 11.450 1.00 0.00 O ATOM 1091 CB ALA A 73 2.791 -0.934 11.700 1.00 0.00 C ATOM 0 H ALA A 73 3.316 -1.290 14.113 1.00 0.00 H new ATOM 0 HA ALA A 73 0.882 -1.192 12.611 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.408 -1.010 10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.848 0.115 11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.785 -1.378 11.748 1.00 0.00 H new ATOM 1097 N LYS A 74 2.580 -3.983 12.708 1.00 0.00 N ATOM 1098 CA LYS A 74 2.491 -5.398 12.390 1.00 0.00 C ATOM 1099 C LYS A 74 1.407 -6.055 13.232 1.00 0.00 C ATOM 1100 O LYS A 74 0.744 -6.992 12.786 1.00 0.00 O ATOM 1101 CB LYS A 74 3.831 -6.089 12.604 1.00 0.00 C ATOM 1102 CG LYS A 74 4.860 -5.727 11.548 1.00 0.00 C ATOM 1103 CD LYS A 74 4.368 -6.057 10.143 1.00 0.00 C ATOM 1104 CE LYS A 74 4.044 -7.538 9.990 1.00 0.00 C ATOM 1105 NZ LYS A 74 3.630 -7.878 8.604 1.00 0.00 N ATOM 0 H LYS A 74 3.351 -3.730 13.327 1.00 0.00 H new ATOM 0 HA LYS A 74 2.227 -5.500 11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.218 -5.822 13.587 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.681 -7.169 12.603 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.089 -4.663 11.613 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.787 -6.265 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.480 -5.466 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.129 -5.774 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.918 -8.130 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.247 -7.808 10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.902 -8.859 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.599 -7.777 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.100 -7.236 7.934 1.00 0.00 H new ATOM 1119 N ASP A 75 1.216 -5.540 14.440 1.00 0.00 N ATOM 1120 CA ASP A 75 0.106 -5.971 15.284 1.00 0.00 C ATOM 1121 C ASP A 75 -1.213 -5.576 14.625 1.00 0.00 C ATOM 1122 O ASP A 75 -2.169 -6.345 14.617 1.00 0.00 O ATOM 1123 CB ASP A 75 0.215 -5.353 16.681 1.00 0.00 C ATOM 1124 CG ASP A 75 -0.882 -5.828 17.619 1.00 0.00 C ATOM 1125 OD1 ASP A 75 -0.759 -6.942 18.173 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -1.863 -5.081 17.824 1.00 0.00 O ATOM 0 H ASP A 75 1.813 -4.826 14.857 1.00 0.00 H new ATOM 0 HA ASP A 75 0.143 -7.055 15.395 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.186 -5.601 17.109 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.172 -4.267 16.598 1.00 0.00 H new ATOM 1131 N PHE A 76 -1.233 -4.378 14.041 1.00 0.00 N ATOM 1132 CA PHE A 76 -2.398 -3.877 13.319 1.00 0.00 C ATOM 1133 C PHE A 76 -2.724 -4.778 12.127 1.00 0.00 C ATOM 1134 O PHE A 76 -3.892 -5.022 11.824 1.00 0.00 O ATOM 1135 CB PHE A 76 -2.139 -2.439 12.848 1.00 0.00 C ATOM 1136 CG PHE A 76 -3.293 -1.806 12.120 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.383 -1.310 12.816 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -3.285 -1.703 10.737 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.442 -0.726 12.151 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -4.341 -1.121 10.065 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.422 -0.631 10.772 1.00 0.00 C ATOM 0 H PHE A 76 -0.444 -3.731 14.056 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.256 -3.882 13.992 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.891 -1.825 13.714 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.267 -2.435 12.194 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.404 -1.381 13.893 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.442 -2.083 10.179 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.285 -0.344 12.707 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.322 -1.049 8.988 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.249 -0.175 10.249 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.691 -5.296 11.470 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.883 -6.179 10.322 1.00 0.00 C ATOM 1153 C ALA A 77 -2.445 -7.527 10.758 1.00 0.00 C ATOM 1154 O ALA A 77 -3.325 -8.086 10.102 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.569 -6.381 9.588 1.00 0.00 C ATOM 0 H ALA A 77 -0.715 -5.121 11.711 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.600 -5.707 9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.726 -7.041 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.196 -5.418 9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.160 -6.829 10.263 1.00 0.00 H new ATOM 1161 N MET A 78 -1.937 -8.038 11.870 1.00 0.00 N ATOM 1162 CA MET A 78 -2.404 -9.311 12.407 1.00 0.00 C ATOM 1163 C MET A 78 -3.764 -9.162 13.071 1.00 0.00 C ATOM 1164 O MET A 78 -4.477 -10.145 13.277 1.00 0.00 O ATOM 1165 CB MET A 78 -1.400 -9.889 13.407 1.00 0.00 C ATOM 1166 CG MET A 78 -0.070 -10.271 12.783 1.00 0.00 C ATOM 1167 SD MET A 78 1.055 -11.060 13.951 1.00 0.00 S ATOM 1168 CE MET A 78 1.320 -9.731 15.122 1.00 0.00 C ATOM 0 H MET A 78 -1.202 -7.592 12.419 1.00 0.00 H new ATOM 0 HA MET A 78 -2.499 -10.000 11.568 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.225 -9.158 14.196 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.836 -10.769 13.879 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.248 -10.946 11.946 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.404 -9.378 12.377 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.194 -9.954 15.734 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.483 -8.798 14.583 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.444 -9.631 15.764 1.00 0.00 H new ATOM 1178 N LYS A 79 -4.116 -7.936 13.426 1.00 0.00 N ATOM 1179 CA LYS A 79 -5.399 -7.673 14.045 1.00 0.00 C ATOM 1180 C LYS A 79 -6.449 -7.366 12.976 1.00 0.00 C ATOM 1181 O LYS A 79 -7.649 -7.422 13.243 1.00 0.00 O ATOM 1182 CB LYS A 79 -5.277 -6.505 15.041 1.00 0.00 C ATOM 1183 CG LYS A 79 -6.358 -6.480 16.107 1.00 0.00 C ATOM 1184 CD LYS A 79 -6.064 -7.468 17.224 1.00 0.00 C ATOM 1185 CE LYS A 79 -7.067 -7.332 18.355 1.00 0.00 C ATOM 1186 NZ LYS A 79 -6.678 -8.115 19.556 1.00 0.00 N ATOM 0 H LYS A 79 -3.530 -7.111 13.295 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.717 -8.561 14.592 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.303 -6.558 15.528 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.306 -5.566 14.488 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.439 -5.475 16.521 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.321 -6.717 15.655 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.091 -8.484 16.831 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.057 -7.301 17.606 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.164 -6.281 18.626 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.046 -7.664 18.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.394 -7.989 20.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.611 -9.122 19.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.756 -7.782 19.904 1.00 0.00 H new ATOM 1200 N HIS A 80 -6.001 -7.056 11.753 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.914 -6.651 10.691 1.00 0.00 C ATOM 1202 C HIS A 80 -6.446 -7.203 9.350 1.00 0.00 C ATOM 1203 O HIS A 80 -5.564 -6.633 8.711 1.00 0.00 O ATOM 1204 CB HIS A 80 -7.016 -5.119 10.591 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.371 -4.428 11.872 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -8.650 -4.028 12.194 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.596 -4.065 12.919 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -8.640 -3.452 13.378 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -7.407 -3.464 13.844 1.00 0.00 N ATOM 0 H HIS A 80 -5.018 -7.079 11.481 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.897 -7.054 10.936 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.063 -4.728 10.236 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.764 -4.867 9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.531 -4.221 13.009 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.500 -3.038 13.884 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.107 -3.088 14.744 1.00 0.00 H new ATOM 1218 N GLY A 81 -7.002 -8.332 8.946 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.739 -8.844 7.615 1.00 0.00 C ATOM 1220 C GLY A 81 -5.948 -10.132 7.620 1.00 0.00 C ATOM 1221 O GLY A 81 -6.433 -11.169 7.166 1.00 0.00 O ATOM 0 H GLY A 81 -7.629 -8.904 9.512 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.686 -9.009 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.194 -8.092 7.044 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.731 -10.076 8.130 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.865 -11.239 8.123 1.00 0.00 C ATOM 1227 C ALA A 82 -3.782 -11.863 9.499 1.00 0.00 C ATOM 1228 O ALA A 82 -3.721 -11.157 10.500 1.00 0.00 O ATOM 1229 CB ALA A 82 -2.467 -10.879 7.642 1.00 0.00 C ATOM 0 H ALA A 82 -4.322 -9.242 8.552 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.299 -11.962 7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.840 -11.770 7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.522 -10.480 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.036 -10.128 8.305 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.790 -13.180 9.550 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.471 -13.874 10.781 1.00 0.00 C ATOM 1237 C ASP A 83 -1.985 -13.953 10.903 1.00 0.00 C ATOM 1238 O ASP A 83 -1.248 -13.667 9.951 1.00 0.00 O ATOM 1239 CB ASP A 83 -4.095 -15.255 10.855 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.267 -16.313 10.179 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -3.406 -16.491 8.953 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.470 -16.965 10.879 1.00 0.00 O ATOM 0 H ASP A 83 -4.012 -13.787 8.761 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.893 -13.313 11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.238 -15.527 11.901 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.083 -15.226 10.395 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.545 -14.350 12.062 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.193 -14.190 12.426 1.00 0.00 C ATOM 1249 C GLU A 84 0.707 -15.076 11.597 1.00 0.00 C ATOM 1250 O GLU A 84 1.874 -14.786 11.410 1.00 0.00 O ATOM 1251 CB GLU A 84 -0.077 -14.476 13.907 1.00 0.00 C ATOM 1252 CG GLU A 84 -0.256 -15.928 14.294 1.00 0.00 C ATOM 1253 CD GLU A 84 -0.229 -16.121 15.792 1.00 0.00 C ATOM 1254 OE1 GLU A 84 -1.241 -15.811 16.453 1.00 0.00 O ATOM 1255 OE2 GLU A 84 0.810 -16.562 16.322 1.00 0.00 O ATOM 0 H GLU A 84 -2.126 -14.793 12.773 1.00 0.00 H new ATOM 0 HA GLU A 84 0.136 -13.170 12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.902 -14.142 14.251 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.821 -13.880 14.436 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.203 -16.295 13.898 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.533 -16.525 13.837 1.00 0.00 H new ATOM 1262 N THR A 85 0.144 -16.124 11.054 1.00 0.00 N ATOM 1263 CA THR A 85 0.934 -17.082 10.318 1.00 0.00 C ATOM 1264 C THR A 85 1.352 -16.491 8.963 1.00 0.00 C ATOM 1265 O THR A 85 2.434 -16.786 8.459 1.00 0.00 O ATOM 1266 CB THR A 85 0.190 -18.423 10.156 1.00 0.00 C ATOM 1267 OG1 THR A 85 1.126 -19.492 9.975 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.772 -18.402 8.986 1.00 0.00 C ATOM 0 H THR A 85 -0.852 -16.337 11.106 1.00 0.00 H new ATOM 0 HA THR A 85 1.838 -17.295 10.888 1.00 0.00 H new ATOM 0 HB THR A 85 -0.386 -18.581 11.068 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.641 -20.338 9.875 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.274 -19.367 8.910 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.514 -17.618 9.139 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.222 -18.206 8.066 1.00 0.00 H new ATOM 1276 N MET A 86 0.529 -15.590 8.408 1.00 0.00 N ATOM 1277 CA MET A 86 0.834 -15.001 7.112 1.00 0.00 C ATOM 1278 C MET A 86 1.710 -13.788 7.310 1.00 0.00 C ATOM 1279 O MET A 86 2.644 -13.546 6.548 1.00 0.00 O ATOM 1280 CB MET A 86 -0.442 -14.626 6.353 1.00 0.00 C ATOM 1281 CG MET A 86 -1.418 -15.776 6.242 1.00 0.00 C ATOM 1282 SD MET A 86 -2.832 -15.404 5.184 1.00 0.00 S ATOM 1283 CE MET A 86 -3.643 -14.116 6.122 1.00 0.00 C ATOM 0 H MET A 86 -0.338 -15.262 8.834 1.00 0.00 H new ATOM 0 HA MET A 86 1.364 -15.739 6.510 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.928 -13.791 6.858 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.177 -14.283 5.353 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.898 -16.650 5.849 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.776 -16.039 7.238 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.440 -13.676 5.522 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.066 -14.540 7.032 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.918 -13.345 6.384 1.00 0.00 H new ATOM 1293 N ALA A 87 1.414 -13.037 8.356 1.00 0.00 N ATOM 1294 CA ALA A 87 2.250 -11.927 8.749 1.00 0.00 C ATOM 1295 C ALA A 87 3.644 -12.438 9.075 1.00 0.00 C ATOM 1296 O ALA A 87 4.641 -11.813 8.729 1.00 0.00 O ATOM 1297 CB ALA A 87 1.635 -11.227 9.944 1.00 0.00 C ATOM 0 H ALA A 87 0.596 -13.180 8.948 1.00 0.00 H new ATOM 0 HA ALA A 87 2.326 -11.209 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.267 -10.389 10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.644 -10.858 9.679 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.551 -11.929 10.774 1.00 0.00 H new ATOM 1303 N GLN A 88 3.696 -13.612 9.693 1.00 0.00 N ATOM 1304 CA GLN A 88 4.961 -14.229 10.077 1.00 0.00 C ATOM 1305 C GLN A 88 5.656 -14.861 8.875 1.00 0.00 C ATOM 1306 O GLN A 88 6.868 -15.064 8.891 1.00 0.00 O ATOM 1307 CB GLN A 88 4.749 -15.261 11.183 1.00 0.00 C ATOM 1308 CG GLN A 88 5.005 -14.723 12.588 1.00 0.00 C ATOM 1309 CD GLN A 88 4.326 -13.388 12.868 1.00 0.00 C ATOM 1310 OE1 GLN A 88 4.900 -12.326 12.627 1.00 0.00 O ATOM 1311 NE2 GLN A 88 3.110 -13.426 13.391 1.00 0.00 N ATOM 0 H GLN A 88 2.871 -14.159 9.940 1.00 0.00 H new ATOM 0 HA GLN A 88 5.610 -13.443 10.463 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.726 -15.633 11.128 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.408 -16.111 11.004 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.659 -15.456 13.316 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.079 -14.611 12.734 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.663 -14.324 13.578 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.620 -12.558 13.607 1.00 0.00 H new ATOM 1320 N GLN A 89 4.896 -15.170 7.830 1.00 0.00 N ATOM 1321 CA GLN A 89 5.504 -15.603 6.575 1.00 0.00 C ATOM 1322 C GLN A 89 6.064 -14.398 5.822 1.00 0.00 C ATOM 1323 O GLN A 89 6.927 -14.536 4.966 1.00 0.00 O ATOM 1324 CB GLN A 89 4.518 -16.371 5.672 1.00 0.00 C ATOM 1325 CG GLN A 89 4.150 -17.770 6.156 1.00 0.00 C ATOM 1326 CD GLN A 89 5.172 -18.371 7.100 1.00 0.00 C ATOM 1327 OE1 GLN A 89 6.171 -18.952 6.671 1.00 0.00 O ATOM 1328 NE2 GLN A 89 4.897 -18.278 8.392 1.00 0.00 N ATOM 0 H GLN A 89 3.877 -15.131 7.824 1.00 0.00 H new ATOM 0 HA GLN A 89 6.310 -16.290 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.604 -15.784 5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.950 -16.451 4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.183 -17.730 6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.034 -18.426 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.058 -17.787 8.701 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.524 -18.697 9.078 1.00 0.00 H new ATOM 1337 N LEU A 90 5.547 -13.215 6.132 1.00 0.00 N ATOM 1338 CA LEU A 90 5.990 -11.993 5.479 1.00 0.00 C ATOM 1339 C LEU A 90 7.188 -11.367 6.203 1.00 0.00 C ATOM 1340 O LEU A 90 8.115 -10.869 5.563 1.00 0.00 O ATOM 1341 CB LEU A 90 4.826 -10.992 5.412 1.00 0.00 C ATOM 1342 CG LEU A 90 5.145 -9.630 4.784 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.306 -9.745 3.276 1.00 0.00 C ATOM 1344 CD2 LEU A 90 4.057 -8.623 5.128 1.00 0.00 C ATOM 0 H LEU A 90 4.819 -13.078 6.833 1.00 0.00 H new ATOM 0 HA LEU A 90 6.313 -12.246 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.013 -11.448 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.457 -10.826 6.424 1.00 0.00 H new ATOM 0 HG LEU A 90 6.091 -9.280 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.532 -8.764 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.121 -10.432 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.381 -10.121 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.296 -7.660 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.100 -8.976 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.995 -8.510 6.210 1.00 0.00 H new ATOM 1356 N VAL A 91 7.165 -11.405 7.536 1.00 0.00 N ATOM 1357 CA VAL A 91 8.148 -10.685 8.357 1.00 0.00 C ATOM 1358 C VAL A 91 9.591 -11.080 8.057 1.00 0.00 C ATOM 1359 O VAL A 91 10.482 -10.230 8.092 1.00 0.00 O ATOM 1360 CB VAL A 91 7.900 -10.871 9.869 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.616 -10.182 10.305 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.882 -12.343 10.243 1.00 0.00 C ATOM 0 H VAL A 91 6.475 -11.928 8.075 1.00 0.00 H new ATOM 0 HA VAL A 91 8.008 -9.638 8.087 1.00 0.00 H new ATOM 0 HB VAL A 91 8.727 -10.400 10.400 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.468 -10.331 11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.686 -9.115 10.093 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.773 -10.606 9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.705 -12.444 11.314 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.087 -12.848 9.695 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.841 -12.795 9.989 1.00 0.00 H new ATOM 1372 N ASP A 92 9.828 -12.347 7.755 1.00 0.00 N ATOM 1373 CA ASP A 92 11.188 -12.820 7.548 1.00 0.00 C ATOM 1374 C ASP A 92 11.770 -12.200 6.281 1.00 0.00 C ATOM 1375 O ASP A 92 12.942 -11.817 6.249 1.00 0.00 O ATOM 1376 CB ASP A 92 11.244 -14.352 7.510 1.00 0.00 C ATOM 1377 CG ASP A 92 10.846 -14.946 6.177 1.00 0.00 C ATOM 1378 OD1 ASP A 92 9.644 -14.950 5.861 1.00 0.00 O ATOM 1379 OD2 ASP A 92 11.737 -15.433 5.450 1.00 0.00 O ATOM 0 H ASP A 92 9.106 -13.059 7.649 1.00 0.00 H new ATOM 0 HA ASP A 92 11.800 -12.503 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.256 -14.675 7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.588 -14.749 8.284 1.00 0.00 H new ATOM 1384 N ILE A 93 10.935 -12.062 5.253 1.00 0.00 N ATOM 1385 CA ILE A 93 11.316 -11.324 4.057 1.00 0.00 C ATOM 1386 C ILE A 93 11.509 -9.853 4.394 1.00 0.00 C ATOM 1387 O ILE A 93 12.449 -9.217 3.917 1.00 0.00 O ATOM 1388 CB ILE A 93 10.266 -11.468 2.919 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.613 -12.643 2.006 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.167 -10.194 2.087 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.653 -13.986 2.697 1.00 0.00 C ATOM 0 H ILE A 93 9.993 -12.452 5.227 1.00 0.00 H new ATOM 0 HA ILE A 93 12.253 -11.749 3.697 1.00 0.00 H new ATOM 0 HB ILE A 93 9.302 -11.651 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.883 -12.686 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.584 -12.456 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.424 -10.330 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.870 -9.363 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.136 -9.977 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.907 -14.760 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.405 -13.967 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.677 -14.201 3.131 1.00 0.00 H new ATOM 1403 N ILE A 94 10.639 -9.327 5.247 1.00 0.00 N ATOM 1404 CA ILE A 94 10.704 -7.918 5.608 1.00 0.00 C ATOM 1405 C ILE A 94 12.063 -7.597 6.203 1.00 0.00 C ATOM 1406 O ILE A 94 12.727 -6.657 5.784 1.00 0.00 O ATOM 1407 CB ILE A 94 9.610 -7.522 6.622 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.224 -7.760 6.027 1.00 0.00 C ATOM 1409 CG2 ILE A 94 9.770 -6.064 7.040 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.096 -7.371 6.955 1.00 0.00 C ATOM 0 H ILE A 94 9.887 -9.849 5.697 1.00 0.00 H new ATOM 0 HA ILE A 94 10.542 -7.348 4.693 1.00 0.00 H new ATOM 0 HB ILE A 94 9.718 -8.146 7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.133 -7.194 5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.124 -8.814 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.990 -5.803 7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.747 -5.923 7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.687 -5.423 6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.141 -7.567 6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.162 -7.955 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.171 -6.310 7.194 1.00 0.00 H new ATOM 1422 N HIS A 95 12.492 -8.425 7.143 1.00 0.00 N ATOM 1423 CA HIS A 95 13.746 -8.180 7.848 1.00 0.00 C ATOM 1424 C HIS A 95 14.934 -8.417 6.923 1.00 0.00 C ATOM 1425 O HIS A 95 15.917 -7.670 6.942 1.00 0.00 O ATOM 1426 CB HIS A 95 13.892 -9.097 9.072 1.00 0.00 C ATOM 1427 CG HIS A 95 12.697 -9.159 9.976 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.407 -10.269 10.740 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.723 -8.257 10.244 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.308 -10.050 11.434 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.875 -8.838 11.153 1.00 0.00 N ATOM 0 H HIS A 95 11.996 -9.267 7.436 1.00 0.00 H new ATOM 0 HA HIS A 95 13.729 -7.142 8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.116 -10.106 8.724 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.750 -8.763 9.655 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.631 -7.267 9.822 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.842 -10.745 12.116 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.042 -8.401 11.548 1.00 0.00 H new ATOM 1440 N GLY A 96 14.803 -9.414 6.059 1.00 0.00 N ATOM 1441 CA GLY A 96 15.929 -9.862 5.275 1.00 0.00 C ATOM 1442 C GLY A 96 16.122 -9.034 4.034 1.00 0.00 C ATOM 1443 O GLY A 96 17.238 -8.620 3.730 1.00 0.00 O ATOM 0 H GLY A 96 13.934 -9.920 5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.833 -9.819 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.783 -10.905 4.995 1.00 0.00 H new ATOM 1447 N CYS A 97 15.040 -8.779 3.322 1.00 0.00 N ATOM 1448 CA CYS A 97 15.108 -8.013 2.102 1.00 0.00 C ATOM 1449 C CYS A 97 15.357 -6.530 2.400 1.00 0.00 C ATOM 1450 O CYS A 97 16.093 -5.874 1.672 1.00 0.00 O ATOM 1451 CB CYS A 97 13.845 -8.224 1.265 1.00 0.00 C ATOM 1452 SG CYS A 97 13.458 -9.987 0.948 1.00 0.00 S ATOM 0 H CYS A 97 14.103 -9.094 3.573 1.00 0.00 H new ATOM 0 HA CYS A 97 15.954 -8.368 1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.000 -7.762 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 97 13.962 -7.709 0.311 1.00 0.00 H new ATOM 1457 N GLU A 98 14.744 -5.997 3.466 1.00 0.00 N ATOM 1458 CA GLU A 98 15.081 -4.645 3.942 1.00 0.00 C ATOM 1459 C GLU A 98 16.573 -4.537 4.277 1.00 0.00 C ATOM 1460 O GLU A 98 17.210 -3.526 3.982 1.00 0.00 O ATOM 1461 CB GLU A 98 14.240 -4.303 5.182 1.00 0.00 C ATOM 1462 CG GLU A 98 14.647 -3.025 5.910 1.00 0.00 C ATOM 1463 CD GLU A 98 14.181 -1.756 5.223 1.00 0.00 C ATOM 1464 OE1 GLU A 98 13.031 -1.328 5.476 1.00 0.00 O ATOM 1465 OE2 GLU A 98 14.966 -1.165 4.458 1.00 0.00 O ATOM 0 H GLU A 98 14.023 -6.471 4.009 1.00 0.00 H new ATOM 0 HA GLU A 98 14.857 -3.936 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.196 -4.214 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.299 -5.136 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.242 -3.049 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.733 -3.000 6.002 1.00 0.00 H new ATOM 1472 N LYS A 99 17.138 -5.583 4.874 1.00 0.00 N ATOM 1473 CA LYS A 99 18.553 -5.577 5.213 1.00 0.00 C ATOM 1474 C LYS A 99 19.420 -5.761 3.966 1.00 0.00 C ATOM 1475 O LYS A 99 20.422 -5.068 3.792 1.00 0.00 O ATOM 1476 CB LYS A 99 18.865 -6.679 6.228 1.00 0.00 C ATOM 1477 CG LYS A 99 20.330 -6.743 6.624 1.00 0.00 C ATOM 1478 CD LYS A 99 20.757 -5.507 7.402 1.00 0.00 C ATOM 1479 CE LYS A 99 22.260 -5.490 7.657 1.00 0.00 C ATOM 1480 NZ LYS A 99 23.037 -5.260 6.409 1.00 0.00 N ATOM 0 H LYS A 99 16.641 -6.436 5.130 1.00 0.00 H new ATOM 0 HA LYS A 99 18.785 -4.608 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.262 -6.519 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.568 -7.641 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.505 -7.632 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.945 -6.840 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.472 -4.612 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.226 -5.475 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 99 22.496 -4.709 8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.562 -6.438 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 24.028 -5.054 6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.996 -6.111 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.632 -4.454 5.891 1.00 0.00 H new ATOM 1494 N SER A 100 19.019 -6.679 3.097 1.00 0.00 N ATOM 1495 CA SER A 100 19.834 -7.055 1.947 1.00 0.00 C ATOM 1496 C SER A 100 19.444 -6.270 0.698 1.00 0.00 C ATOM 1497 O SER A 100 19.834 -6.630 -0.414 1.00 0.00 O ATOM 1498 CB SER A 100 19.695 -8.554 1.684 1.00 0.00 C ATOM 1499 OG SER A 100 19.895 -9.297 2.877 1.00 0.00 O ATOM 0 H SER A 100 18.132 -7.179 3.166 1.00 0.00 H new ATOM 0 HA SER A 100 20.872 -6.816 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.705 -8.766 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.420 -8.864 0.931 1.00 0.00 H new ATOM 0 HG SER A 100 19.093 -9.238 3.438 1.00 0.00 H new ATOM 1505 N ALA A 101 18.682 -5.198 0.880 1.00 0.00 N ATOM 1506 CA ALA A 101 18.316 -4.328 -0.228 1.00 0.00 C ATOM 1507 C ALA A 101 19.568 -3.704 -0.835 1.00 0.00 C ATOM 1508 O ALA A 101 20.578 -3.532 -0.147 1.00 0.00 O ATOM 1509 CB ALA A 101 17.347 -3.245 0.235 1.00 0.00 C ATOM 0 H ALA A 101 18.306 -4.912 1.784 1.00 0.00 H new ATOM 0 HA ALA A 101 17.816 -4.925 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.086 -2.606 -0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.444 -3.710 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.817 -2.645 1.014 1.00 0.00 H new ATOM 1515 N PRO A 102 19.527 -3.382 -2.137 1.00 0.00 N ATOM 1516 CA PRO A 102 20.658 -2.767 -2.843 1.00 0.00 C ATOM 1517 C PRO A 102 21.110 -1.462 -2.184 1.00 0.00 C ATOM 1518 O PRO A 102 20.376 -0.880 -1.381 1.00 0.00 O ATOM 1519 CB PRO A 102 20.097 -2.491 -4.244 1.00 0.00 C ATOM 1520 CG PRO A 102 18.969 -3.449 -4.398 1.00 0.00 C ATOM 1521 CD PRO A 102 18.372 -3.593 -3.030 1.00 0.00 C ATOM 0 HA PRO A 102 21.538 -3.410 -2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 102 19.756 -1.460 -4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 102 20.855 -2.646 -5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.232 -3.076 -5.110 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.319 -4.410 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.587 -2.858 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 102 17.926 -4.577 -2.886 1.00 0.00 H new ATOM 1529 N PRO A 103 22.327 -0.988 -2.513 1.00 0.00 N ATOM 1530 CA PRO A 103 22.873 0.284 -1.997 1.00 0.00 C ATOM 1531 C PRO A 103 22.113 1.518 -2.505 1.00 0.00 C ATOM 1532 O PRO A 103 22.698 2.585 -2.707 1.00 0.00 O ATOM 1533 CB PRO A 103 24.317 0.300 -2.521 1.00 0.00 C ATOM 1534 CG PRO A 103 24.603 -1.102 -2.936 1.00 0.00 C ATOM 1535 CD PRO A 103 23.291 -1.668 -3.390 1.00 0.00 C ATOM 0 HA PRO A 103 22.793 0.334 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.423 0.987 -3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 103 25.012 0.631 -1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.340 -1.130 -3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.012 -1.680 -2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.101 -1.457 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.254 -2.751 -3.271 1.00 0.00 H new ATOM 1543 N ASN A 104 20.813 1.359 -2.701 1.00 0.00 N ATOM 1544 CA ASN A 104 19.937 2.448 -3.095 1.00 0.00 C ATOM 1545 C ASN A 104 18.844 2.595 -2.051 1.00 0.00 C ATOM 1546 O ASN A 104 17.904 1.799 -2.018 1.00 0.00 O ATOM 1547 CB ASN A 104 19.278 2.184 -4.459 1.00 0.00 C ATOM 1548 CG ASN A 104 20.250 2.114 -5.624 1.00 0.00 C ATOM 1549 OD1 ASN A 104 21.378 1.636 -5.493 1.00 0.00 O ATOM 1550 ND2 ASN A 104 19.816 2.599 -6.776 1.00 0.00 N ATOM 0 H ASN A 104 20.335 0.465 -2.590 1.00 0.00 H new ATOM 0 HA ASN A 104 20.536 3.355 -3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 104 18.726 1.246 -4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 104 18.551 2.972 -4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 104 20.422 2.585 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 104 18.875 2.986 -6.844 1.00 0.00 H new ATOM 1557 N ASP A 105 18.973 3.580 -1.176 1.00 0.00 N ATOM 1558 CA ASP A 105 17.951 3.803 -0.165 1.00 0.00 C ATOM 1559 C ASP A 105 16.776 4.551 -0.784 1.00 0.00 C ATOM 1560 O ASP A 105 16.790 5.770 -0.941 1.00 0.00 O ATOM 1561 CB ASP A 105 18.506 4.530 1.079 1.00 0.00 C ATOM 1562 CG ASP A 105 18.926 5.967 0.831 1.00 0.00 C ATOM 1563 OD1 ASP A 105 19.966 6.187 0.179 1.00 0.00 O ATOM 1564 OD2 ASP A 105 18.227 6.886 1.313 1.00 0.00 O ATOM 0 H ASP A 105 19.760 4.228 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 105 17.602 2.833 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 105 17.747 4.516 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 105 19.364 3.974 1.457 1.00 0.00 H new ATOM 1569 N ASP A 106 15.772 3.794 -1.187 1.00 0.00 N ATOM 1570 CA ASP A 106 14.632 4.364 -1.881 1.00 0.00 C ATOM 1571 C ASP A 106 13.565 4.763 -0.870 1.00 0.00 C ATOM 1572 O ASP A 106 12.860 3.907 -0.335 1.00 0.00 O ATOM 1573 CB ASP A 106 14.072 3.359 -2.885 1.00 0.00 C ATOM 1574 CG ASP A 106 13.607 4.019 -4.165 1.00 0.00 C ATOM 1575 OD1 ASP A 106 12.838 4.997 -4.091 1.00 0.00 O ATOM 1576 OD2 ASP A 106 14.015 3.565 -5.255 1.00 0.00 O ATOM 0 H ASP A 106 15.723 2.785 -1.046 1.00 0.00 H new ATOM 0 HA ASP A 106 14.949 5.253 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.837 2.618 -3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.238 2.823 -2.432 1.00 0.00 H new ATOM 1581 N LYS A 107 13.475 6.076 -0.643 1.00 0.00 N ATOM 1582 CA LYS A 107 12.686 6.685 0.442 1.00 0.00 C ATOM 1583 C LYS A 107 11.430 5.885 0.817 1.00 0.00 C ATOM 1584 O LYS A 107 11.411 5.198 1.838 1.00 0.00 O ATOM 1585 CB LYS A 107 12.302 8.111 0.025 1.00 0.00 C ATOM 1586 CG LYS A 107 12.118 9.085 1.179 1.00 0.00 C ATOM 1587 CD LYS A 107 10.846 8.830 1.969 1.00 0.00 C ATOM 1588 CE LYS A 107 10.601 9.937 2.978 1.00 0.00 C ATOM 1589 NZ LYS A 107 10.303 11.236 2.314 1.00 0.00 N ATOM 0 H LYS A 107 13.958 6.765 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 107 13.309 6.691 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.072 8.500 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.376 8.070 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.976 9.014 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.100 10.103 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.998 8.760 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.920 7.873 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.769 9.661 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.478 10.048 3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.851 11.878 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.188 11.662 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.662 11.076 1.511 1.00 0.00 H new ATOM 1603 N CYS A 108 10.382 5.982 0.011 1.00 0.00 N ATOM 1604 CA CYS A 108 9.155 5.240 0.287 1.00 0.00 C ATOM 1605 C CYS A 108 9.101 3.919 -0.489 1.00 0.00 C ATOM 1606 O CYS A 108 8.262 3.069 -0.216 1.00 0.00 O ATOM 1607 CB CYS A 108 7.934 6.113 -0.047 1.00 0.00 C ATOM 1608 SG CYS A 108 6.311 5.371 0.349 1.00 0.00 S ATOM 0 H CYS A 108 10.353 6.559 -0.830 1.00 0.00 H new ATOM 0 HA CYS A 108 9.142 4.991 1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 108 8.025 7.057 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.957 6.349 -1.111 1.00 0.00 H new ATOM 1613 N MET A 109 10.011 3.733 -1.443 1.00 0.00 N ATOM 1614 CA MET A 109 9.902 2.622 -2.374 1.00 0.00 C ATOM 1615 C MET A 109 10.549 1.337 -1.838 1.00 0.00 C ATOM 1616 O MET A 109 10.311 0.229 -2.343 1.00 0.00 O ATOM 1617 CB MET A 109 10.555 2.999 -3.690 1.00 0.00 C ATOM 1618 CG MET A 109 9.702 2.699 -4.897 1.00 0.00 C ATOM 1619 SD MET A 109 9.536 0.939 -5.241 1.00 0.00 S ATOM 1620 CE MET A 109 11.229 0.502 -5.632 1.00 0.00 C ATOM 0 H MET A 109 10.823 4.333 -1.588 1.00 0.00 H new ATOM 0 HA MET A 109 8.840 2.420 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 109 10.790 4.063 -3.677 1.00 0.00 H new ATOM 0 HB3 MET A 109 11.501 2.465 -3.782 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.711 3.127 -4.747 1.00 0.00 H new ATOM 0 HG3 MET A 109 10.133 3.192 -5.768 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.241 -0.411 -6.227 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.692 1.310 -6.198 1.00 0.00 H new ATOM 0 HE3 MET A 109 11.786 0.341 -4.709 1.00 0.00 H new ATOM 1630 N LYS A 110 11.373 1.496 -0.821 1.00 0.00 N ATOM 1631 CA LYS A 110 12.177 0.388 -0.289 1.00 0.00 C ATOM 1632 C LYS A 110 11.297 -0.786 0.103 1.00 0.00 C ATOM 1633 O LYS A 110 11.584 -1.943 -0.206 1.00 0.00 O ATOM 1634 CB LYS A 110 12.993 0.821 0.928 1.00 0.00 C ATOM 1635 CG LYS A 110 12.197 1.525 2.012 1.00 0.00 C ATOM 1636 CD LYS A 110 12.792 1.220 3.371 1.00 0.00 C ATOM 1637 CE LYS A 110 11.964 1.787 4.507 1.00 0.00 C ATOM 1638 NZ LYS A 110 12.478 1.326 5.822 1.00 0.00 N ATOM 0 H LYS A 110 11.511 2.383 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 110 12.858 0.084 -1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.469 -0.059 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 110 13.792 1.484 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.201 2.601 1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.157 1.201 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.878 0.140 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 110 13.801 1.628 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.983 2.876 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.924 1.481 4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.693 1.269 6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.912 0.387 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 13.190 1.999 6.172 1.00 0.00 H new ATOM 1652 N THR A 111 10.231 -0.458 0.795 1.00 0.00 N ATOM 1653 CA THR A 111 9.241 -1.421 1.215 1.00 0.00 C ATOM 1654 C THR A 111 8.630 -2.198 0.041 1.00 0.00 C ATOM 1655 O THR A 111 8.005 -3.241 0.246 1.00 0.00 O ATOM 1656 CB THR A 111 8.145 -0.709 2.030 1.00 0.00 C ATOM 1657 OG1 THR A 111 7.221 -1.662 2.570 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.395 0.334 1.195 1.00 0.00 C ATOM 0 H THR A 111 10.025 0.498 1.086 1.00 0.00 H new ATOM 0 HA THR A 111 9.744 -2.160 1.839 1.00 0.00 H new ATOM 0 HB THR A 111 8.641 -0.185 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.203 -2.459 2.000 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.632 0.811 1.809 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.097 1.088 0.838 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.922 -0.154 0.343 1.00 0.00 H new ATOM 1666 N ILE A 112 8.840 -1.738 -1.190 1.00 0.00 N ATOM 1667 CA ILE A 112 8.321 -2.449 -2.333 1.00 0.00 C ATOM 1668 C ILE A 112 9.375 -3.438 -2.791 1.00 0.00 C ATOM 1669 O ILE A 112 9.057 -4.563 -3.162 1.00 0.00 O ATOM 1670 CB ILE A 112 7.918 -1.516 -3.489 1.00 0.00 C ATOM 1671 CG1 ILE A 112 6.489 -0.996 -3.306 1.00 0.00 C ATOM 1672 CG2 ILE A 112 8.055 -2.211 -4.833 1.00 0.00 C ATOM 1673 CD1 ILE A 112 6.282 -0.193 -2.045 1.00 0.00 C ATOM 0 H ILE A 112 9.359 -0.888 -1.410 1.00 0.00 H new ATOM 0 HA ILE A 112 7.408 -2.963 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 112 8.600 -0.666 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.226 -0.378 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.803 -1.843 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.763 -1.526 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.091 -2.518 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.410 -3.089 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.245 0.138 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.511 -0.812 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.940 0.676 -2.055 1.00 0.00 H new ATOM 1685 N ASP A 113 10.644 -3.018 -2.707 1.00 0.00 N ATOM 1686 CA ASP A 113 11.759 -3.897 -3.049 1.00 0.00 C ATOM 1687 C ASP A 113 11.713 -5.149 -2.177 1.00 0.00 C ATOM 1688 O ASP A 113 11.983 -6.251 -2.649 1.00 0.00 O ATOM 1689 CB ASP A 113 13.110 -3.181 -2.868 1.00 0.00 C ATOM 1690 CG ASP A 113 14.223 -3.814 -3.683 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.589 -4.975 -3.409 1.00 0.00 O ATOM 1692 OD2 ASP A 113 14.749 -3.140 -4.598 1.00 0.00 O ATOM 0 H ASP A 113 10.918 -2.082 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 113 11.664 -4.177 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.004 -2.135 -3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 113 13.385 -3.194 -1.813 1.00 0.00 H new ATOM 1697 N VAL A 114 11.322 -4.989 -0.911 1.00 0.00 N ATOM 1698 CA VAL A 114 11.230 -6.123 -0.013 1.00 0.00 C ATOM 1699 C VAL A 114 9.931 -6.903 -0.265 1.00 0.00 C ATOM 1700 O VAL A 114 9.903 -8.135 -0.221 1.00 0.00 O ATOM 1701 CB VAL A 114 11.351 -5.702 1.465 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.510 -4.738 1.632 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.093 -5.072 1.980 1.00 0.00 C ATOM 0 H VAL A 114 11.068 -4.093 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 114 12.074 -6.780 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 114 11.529 -6.606 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.591 -4.444 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.435 -5.223 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.339 -3.853 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.227 -4.793 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.865 -4.182 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.270 -5.782 1.897 1.00 0.00 H new ATOM 1713 N ALA A 115 8.865 -6.176 -0.577 1.00 0.00 N ATOM 1714 CA ALA A 115 7.582 -6.792 -0.921 1.00 0.00 C ATOM 1715 C ALA A 115 7.708 -7.691 -2.145 1.00 0.00 C ATOM 1716 O ALA A 115 7.304 -8.862 -2.124 1.00 0.00 O ATOM 1717 CB ALA A 115 6.536 -5.727 -1.175 1.00 0.00 C ATOM 0 H ALA A 115 8.860 -5.156 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 115 7.274 -7.406 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.588 -6.201 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.409 -5.121 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.857 -5.091 -2.000 1.00 0.00 H new ATOM 1723 N MET A 116 8.283 -7.157 -3.214 1.00 0.00 N ATOM 1724 CA MET A 116 8.468 -7.951 -4.419 1.00 0.00 C ATOM 1725 C MET A 116 9.524 -9.030 -4.183 1.00 0.00 C ATOM 1726 O MET A 116 9.557 -10.040 -4.878 1.00 0.00 O ATOM 1727 CB MET A 116 8.749 -7.100 -5.684 1.00 0.00 C ATOM 1728 CG MET A 116 9.858 -6.054 -5.590 1.00 0.00 C ATOM 1729 SD MET A 116 10.056 -5.133 -7.128 1.00 0.00 S ATOM 1730 CE MET A 116 11.329 -3.966 -6.656 1.00 0.00 C ATOM 0 H MET A 116 8.623 -6.197 -3.272 1.00 0.00 H new ATOM 0 HA MET A 116 7.520 -8.445 -4.631 1.00 0.00 H new ATOM 0 HB2 MET A 116 8.994 -7.779 -6.500 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.826 -6.590 -5.960 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.634 -5.361 -4.779 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.798 -6.545 -5.339 1.00 0.00 H new ATOM 0 HE1 MET A 116 11.615 -3.369 -7.522 1.00 0.00 H new ATOM 0 HE2 MET A 116 10.949 -3.310 -5.873 1.00 0.00 H new ATOM 0 HE3 MET A 116 12.200 -4.507 -6.286 1.00 0.00 H new ATOM 1740 N CYS A 117 10.320 -8.843 -3.140 1.00 0.00 N ATOM 1741 CA CYS A 117 11.290 -9.833 -2.701 1.00 0.00 C ATOM 1742 C CYS A 117 10.560 -10.994 -2.030 1.00 0.00 C ATOM 1743 O CYS A 117 11.061 -12.118 -1.982 1.00 0.00 O ATOM 1744 CB CYS A 117 12.281 -9.162 -1.739 1.00 0.00 C ATOM 1745 SG CYS A 117 13.595 -10.232 -1.069 1.00 0.00 S ATOM 0 H CYS A 117 10.310 -7.996 -2.572 1.00 0.00 H new ATOM 0 HA CYS A 117 11.846 -10.230 -3.550 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.750 -8.326 -2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.719 -8.744 -0.904 1.00 0.00 H new ATOM 1750 N PHE A 118 9.345 -10.718 -1.556 1.00 0.00 N ATOM 1751 CA PHE A 118 8.539 -11.730 -0.894 1.00 0.00 C ATOM 1752 C PHE A 118 7.840 -12.612 -1.915 1.00 0.00 C ATOM 1753 O PHE A 118 7.860 -13.834 -1.780 1.00 0.00 O ATOM 1754 CB PHE A 118 7.528 -11.102 0.085 1.00 0.00 C ATOM 1755 CG PHE A 118 6.524 -12.073 0.662 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.926 -13.090 1.518 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.175 -11.970 0.344 1.00 0.00 C ATOM 1758 CE1 PHE A 118 6.007 -13.979 2.042 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.256 -12.859 0.867 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.672 -13.864 1.714 1.00 0.00 C ATOM 0 H PHE A 118 8.902 -9.801 -1.621 1.00 0.00 H new ATOM 0 HA PHE A 118 9.210 -12.356 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.076 -10.637 0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.990 -10.306 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.970 -13.187 1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.841 -11.186 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.334 -14.764 2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.211 -12.767 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.954 -14.561 2.120 1.00 0.00 H new ATOM 1770 N LYS A 119 7.220 -12.029 -2.949 1.00 0.00 N ATOM 1771 CA LYS A 119 6.629 -12.886 -3.976 1.00 0.00 C ATOM 1772 C LYS A 119 7.739 -13.555 -4.777 1.00 0.00 C ATOM 1773 O LYS A 119 7.499 -14.547 -5.451 1.00 0.00 O ATOM 1774 CB LYS A 119 5.604 -12.199 -4.915 1.00 0.00 C ATOM 1775 CG LYS A 119 4.510 -11.421 -4.200 1.00 0.00 C ATOM 1776 CD LYS A 119 4.977 -10.038 -3.787 1.00 0.00 C ATOM 1777 CE LYS A 119 5.498 -9.246 -4.977 1.00 0.00 C ATOM 1778 NZ LYS A 119 4.459 -9.056 -6.026 1.00 0.00 N ATOM 0 H LYS A 119 7.118 -11.024 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 119 6.037 -13.626 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.139 -11.520 -5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.139 -12.960 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.642 -11.331 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.189 -11.974 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.152 -9.498 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.762 -10.127 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.850 -8.272 -4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.356 -9.763 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.826 -8.427 -6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.214 -9.977 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.610 -8.631 -5.601 1.00 0.00 H new ATOM 1792 N LYS A 120 8.964 -13.018 -4.693 1.00 0.00 N ATOM 1793 CA LYS A 120 10.111 -13.676 -5.304 1.00 0.00 C ATOM 1794 C LYS A 120 10.338 -15.010 -4.606 1.00 0.00 C ATOM 1795 O LYS A 120 10.342 -16.077 -5.233 1.00 0.00 O ATOM 1796 CB LYS A 120 11.364 -12.803 -5.170 1.00 0.00 C ATOM 1797 CG LYS A 120 12.178 -12.691 -6.450 1.00 0.00 C ATOM 1798 CD LYS A 120 11.858 -11.412 -7.216 1.00 0.00 C ATOM 1799 CE LYS A 120 10.359 -11.203 -7.384 1.00 0.00 C ATOM 1800 NZ LYS A 120 10.053 -10.051 -8.270 1.00 0.00 N ATOM 0 H LYS A 120 9.178 -12.143 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 120 9.914 -13.835 -6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.066 -11.804 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.997 -13.212 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.241 -12.713 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.978 -13.554 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.286 -10.559 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.330 -11.450 -8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 120 9.911 -12.107 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 120 9.904 -11.040 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 9.022 -9.944 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 10.458 -9.183 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 10.464 -10.217 -9.211 1.00 0.00 H new ATOM 1814 N GLU A 121 10.486 -14.930 -3.291 1.00 0.00 N ATOM 1815 CA GLU A 121 10.618 -16.119 -2.453 1.00 0.00 C ATOM 1816 C GLU A 121 9.402 -17.042 -2.586 1.00 0.00 C ATOM 1817 O GLU A 121 9.565 -18.236 -2.831 1.00 0.00 O ATOM 1818 CB GLU A 121 10.826 -15.738 -0.983 1.00 0.00 C ATOM 1819 CG GLU A 121 12.119 -14.975 -0.708 1.00 0.00 C ATOM 1820 CD GLU A 121 13.328 -15.618 -1.353 1.00 0.00 C ATOM 1821 OE1 GLU A 121 13.628 -15.293 -2.522 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.992 -16.443 -0.696 1.00 0.00 O ATOM 0 H GLU A 121 10.518 -14.050 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 121 11.497 -16.660 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.983 -15.130 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.819 -16.646 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 121 12.018 -13.953 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 121 12.277 -14.913 0.369 1.00 0.00 H new ATOM 1829 N ILE A 122 8.187 -16.500 -2.426 1.00 0.00 N ATOM 1830 CA ILE A 122 6.971 -17.288 -2.564 1.00 0.00 C ATOM 1831 C ILE A 122 6.914 -18.021 -3.917 1.00 0.00 C ATOM 1832 O ILE A 122 6.383 -19.125 -3.999 1.00 0.00 O ATOM 1833 CB ILE A 122 5.703 -16.415 -2.336 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.865 -17.018 -1.207 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.860 -16.265 -3.602 1.00 0.00 C ATOM 1836 CD1 ILE A 122 4.237 -18.355 -1.546 1.00 0.00 C ATOM 0 H ILE A 122 8.028 -15.518 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 122 6.991 -18.052 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 122 6.035 -15.414 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.495 -17.138 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.075 -16.315 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.988 -15.647 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.456 -15.792 -4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.533 -17.248 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 122 3.660 -18.713 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.578 -18.240 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 122 5.020 -19.075 -1.783 1.00 0.00 H new ATOM 1848 N HIS A 123 7.473 -17.421 -4.976 1.00 0.00 N ATOM 1849 CA HIS A 123 7.511 -18.085 -6.281 1.00 0.00 C ATOM 1850 C HIS A 123 8.491 -19.263 -6.299 1.00 0.00 C ATOM 1851 O HIS A 123 8.253 -20.254 -6.989 1.00 0.00 O ATOM 1852 CB HIS A 123 7.861 -17.091 -7.394 1.00 0.00 C ATOM 1853 CG HIS A 123 6.727 -16.188 -7.780 1.00 0.00 C ATOM 1854 ND1 HIS A 123 6.793 -15.301 -8.832 1.00 0.00 N ATOM 1855 CD2 HIS A 123 5.492 -16.034 -7.242 1.00 0.00 C ATOM 1856 CE1 HIS A 123 5.654 -14.641 -8.923 1.00 0.00 C ATOM 1857 NE2 HIS A 123 4.847 -15.068 -7.971 1.00 0.00 N ATOM 0 H HIS A 123 7.897 -16.494 -4.955 1.00 0.00 H new ATOM 0 HA HIS A 123 6.512 -18.480 -6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.705 -16.481 -7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.187 -17.646 -8.274 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.091 -16.572 -6.396 1.00 0.00 H new ATOM 0 HE1 HIS A 123 5.422 -13.880 -9.653 1.00 0.00 H new ATOM 0 HE2 HIS A 123 3.898 -14.734 -7.804 1.00 0.00 H new ATOM 1866 N LYS A 124 9.585 -19.169 -5.543 1.00 0.00 N ATOM 1867 CA LYS A 124 10.506 -20.292 -5.404 1.00 0.00 C ATOM 1868 C LYS A 124 9.890 -21.363 -4.509 1.00 0.00 C ATOM 1869 O LYS A 124 10.088 -22.562 -4.712 1.00 0.00 O ATOM 1870 CB LYS A 124 11.822 -19.809 -4.799 1.00 0.00 C ATOM 1871 CG LYS A 124 12.943 -20.828 -4.870 1.00 0.00 C ATOM 1872 CD LYS A 124 13.333 -21.099 -6.309 1.00 0.00 C ATOM 1873 CE LYS A 124 14.581 -21.960 -6.400 1.00 0.00 C ATOM 1874 NZ LYS A 124 15.040 -22.102 -7.804 1.00 0.00 N ATOM 0 H LYS A 124 9.852 -18.333 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 124 10.698 -20.718 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.136 -18.902 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.654 -19.541 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.808 -20.463 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.628 -21.756 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 124 12.510 -21.596 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.505 -20.154 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 124 15.375 -21.517 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 124 14.376 -22.945 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.894 -22.695 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.290 -22.547 -8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 15.258 -21.163 -8.195 1.00 0.00 H new ATOM 1888 N LEU A 125 9.131 -20.903 -3.527 1.00 0.00 N ATOM 1889 CA LEU A 125 8.435 -21.777 -2.584 1.00 0.00 C ATOM 1890 C LEU A 125 7.194 -22.418 -3.208 1.00 0.00 C ATOM 1891 O LEU A 125 6.439 -23.112 -2.526 1.00 0.00 O ATOM 1892 CB LEU A 125 8.009 -20.977 -1.346 1.00 0.00 C ATOM 1893 CG LEU A 125 9.141 -20.311 -0.564 1.00 0.00 C ATOM 1894 CD1 LEU A 125 8.576 -19.410 0.521 1.00 0.00 C ATOM 1895 CD2 LEU A 125 10.068 -21.357 0.035 1.00 0.00 C ATOM 0 H LEU A 125 8.977 -19.909 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 125 9.129 -22.570 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.306 -20.205 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.471 -21.644 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 125 9.722 -19.698 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.394 -18.943 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.956 -18.637 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.971 -20.002 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.867 -20.862 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.503 -21.999 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.499 -21.961 -0.763 1.00 0.00 H new