USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 955 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 39 CYS SG : rot -159:sc= -7.67! USER MOD Set 1.2: A 63 ASN : amide:sc= -9.2! C(o=-17!,f=-18!) USER MOD Set 2.1: A 20 TYR OH : rot -154:sc= -0.392! USER MOD Set 2.2: A 43 HIS : no HD1:sc= -0.527 K(o=-0.92,f=-14!) USER MOD Set 3.1: A 22 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-14!) USER MOD Set 3.2: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.113 (180deg=-1.06) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0141 (180deg=-0.277) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -2.25! USER MOD Single : A 16 MET CE :methyl -148:sc= -0.422 (180deg=-2.81!) USER MOD Single : A 17 THR OG1 : rot 90:sc= -0.0303 USER MOD Single : A 19 ASN : amide:sc= -3.64! C(o=-3.6!,f=-11!) USER MOD Single : A 26 GLN : amide:sc= -1.17! K(o=-1.2!,f=0) USER MOD Single : A 27 ASN : amide:sc= -7.01! C(o=-7!,f=-2.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 31 SER OG : rot -93:sc= 0.227 USER MOD Single : A 33 SER OG : rot -30:sc= 0.681 USER MOD Single : A 34 SER OG : rot -170:sc= -0.0982 USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0034) USER MOD Single : A 52 TYR OH : rot -140:sc= -2.03 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=0) USER MOD Single : A 65 THR OG1 : rot 81:sc= -0.961 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 84:sc= 1 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 80:sc= -5.49! USER MOD Single : A 79 GLN : amide:sc= 0.26 K(o=0.26,f=-1.2) USER MOD Single : A 86 MET CE :methyl -143:sc=-2.36e-06 (180deg=-0.145) USER MOD Single : A 94 SER OG : rot 180:sc=-0.00594 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.76 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 96:sc= 0.838 USER MOD Single : A 100 TYR OH : rot 165:sc= -0.0289 USER MOD Single : A 102 GLN : amide:sc= -0.0258 K(o=-0.026,f=-2!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.792 K(o=-0.79,f=-1.7) USER MOD Single : A 111 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0551) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0435) USER MOD Single : A 118 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.156) USER MOD Single : A 119 LYS NZ :NH3+ 161:sc= -0.0376 (180deg=-0.498) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.018 15.295 9.864 1.00 0.00 N ATOM 2 CA GLY A 1 1.176 16.102 11.107 1.00 0.00 C ATOM 3 C GLY A 1 1.735 17.477 10.754 1.00 0.00 C ATOM 4 O GLY A 1 1.818 17.837 9.579 1.00 0.00 O ATOM 0 H1 GLY A 1 0.017 15.044 9.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.341 15.850 9.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.586 14.427 9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.215 16.207 11.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.845 15.593 11.801 1.00 0.00 H new ATOM 10 N PRO A 2 2.126 18.238 11.741 1.00 0.00 N ATOM 11 CA PRO A 2 2.699 19.590 11.521 1.00 0.00 C ATOM 12 C PRO A 2 4.081 19.478 10.889 1.00 0.00 C ATOM 13 O PRO A 2 4.583 20.418 10.273 1.00 0.00 O ATOM 14 CB PRO A 2 2.763 20.234 12.926 1.00 0.00 C ATOM 15 CG PRO A 2 2.227 19.212 13.905 1.00 0.00 C ATOM 16 CD PRO A 2 2.074 17.878 13.160 1.00 0.00 C ATOM 0 HA PRO A 2 2.101 20.194 10.839 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.787 20.509 13.178 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.170 21.148 12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.906 19.101 14.750 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.267 19.536 14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.872 17.184 13.422 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.132 17.390 13.411 1.00 0.00 H new ATOM 24 N LEU A 3 4.687 18.309 11.066 1.00 0.00 N ATOM 25 CA LEU A 3 6.015 18.047 10.533 1.00 0.00 C ATOM 26 C LEU A 3 5.927 17.519 9.103 1.00 0.00 C ATOM 27 O LEU A 3 6.864 17.669 8.319 1.00 0.00 O ATOM 28 CB LEU A 3 6.724 17.023 11.431 1.00 0.00 C ATOM 29 CG LEU A 3 6.649 17.487 12.898 1.00 0.00 C ATOM 30 CD1 LEU A 3 7.373 16.480 13.811 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.296 18.873 13.035 1.00 0.00 C ATOM 0 H LEU A 3 4.277 17.527 11.576 1.00 0.00 H new ATOM 0 HA LEU A 3 6.583 18.977 10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.257 16.044 11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.765 16.914 11.126 1.00 0.00 H new ATOM 0 HG LEU A 3 5.603 17.545 13.199 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.313 16.819 14.845 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.900 15.502 13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.419 16.406 13.513 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.242 19.199 14.074 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.340 18.819 12.726 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.766 19.586 12.403 1.00 0.00 H new ATOM 43 N GLY A 4 4.790 16.907 8.769 1.00 0.00 N ATOM 44 CA GLY A 4 4.592 16.363 7.429 1.00 0.00 C ATOM 45 C GLY A 4 5.321 15.033 7.274 1.00 0.00 C ATOM 46 O GLY A 4 5.942 14.766 6.245 1.00 0.00 O ATOM 0 H GLY A 4 4.001 16.777 9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.527 16.224 7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.957 17.072 6.686 1.00 0.00 H new ATOM 50 N SER A 5 5.252 14.210 8.314 1.00 0.00 N ATOM 51 CA SER A 5 5.913 12.912 8.296 1.00 0.00 C ATOM 52 C SER A 5 5.271 11.991 7.264 1.00 0.00 C ATOM 53 O SER A 5 5.915 11.569 6.306 1.00 0.00 O ATOM 54 CB SER A 5 5.820 12.266 9.678 1.00 0.00 C ATOM 55 OG SER A 5 6.625 12.996 10.593 1.00 0.00 O ATOM 0 H SER A 5 4.748 14.418 9.176 1.00 0.00 H new ATOM 0 HA SER A 5 6.959 13.064 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.784 12.253 10.017 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.153 11.229 9.630 1.00 0.00 H new ATOM 0 HG SER A 5 6.566 12.585 11.481 1.00 0.00 H new ATOM 61 N LYS A 6 3.996 11.686 7.473 1.00 0.00 N ATOM 62 CA LYS A 6 3.266 10.813 6.562 1.00 0.00 C ATOM 63 C LYS A 6 2.972 11.526 5.248 1.00 0.00 C ATOM 64 O LYS A 6 2.526 10.908 4.281 1.00 0.00 O ATOM 65 CB LYS A 6 1.957 10.368 7.215 1.00 0.00 C ATOM 66 CG LYS A 6 1.103 11.599 7.537 1.00 0.00 C ATOM 67 CD LYS A 6 -0.174 11.165 8.266 1.00 0.00 C ATOM 68 CE LYS A 6 -0.925 12.399 8.781 1.00 0.00 C ATOM 69 NZ LYS A 6 -1.316 13.260 7.630 1.00 0.00 N ATOM 0 H LYS A 6 3.448 12.029 8.262 1.00 0.00 H new ATOM 0 HA LYS A 6 3.883 9.940 6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.414 9.700 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.165 9.808 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.669 12.294 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.847 12.127 6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.813 10.595 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.077 10.508 9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.811 12.093 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.294 12.960 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.005 13.971 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.473 13.739 7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.743 12.672 6.886 1.00 0.00 H new ATOM 83 N ASN A 7 3.228 12.828 5.221 1.00 0.00 N ATOM 84 CA ASN A 7 2.990 13.614 4.017 1.00 0.00 C ATOM 85 C ASN A 7 3.858 13.090 2.881 1.00 0.00 C ATOM 86 O ASN A 7 3.412 12.991 1.738 1.00 0.00 O ATOM 87 CB ASN A 7 3.319 15.084 4.283 1.00 0.00 C ATOM 88 CG ASN A 7 3.056 15.911 3.031 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.106 15.644 2.298 1.00 0.00 O ATOM 90 ND2 ASN A 7 3.848 16.907 2.742 1.00 0.00 N ATOM 0 H ASN A 7 3.597 13.358 6.011 1.00 0.00 H new ATOM 0 HA ASN A 7 1.940 13.528 3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.714 15.457 5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.362 15.183 4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.680 17.466 1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.635 17.126 3.352 1.00 0.00 H new ATOM 97 N MET A 8 5.097 12.748 3.211 1.00 0.00 N ATOM 98 CA MET A 8 6.027 12.221 2.223 1.00 0.00 C ATOM 99 C MET A 8 5.492 10.923 1.627 1.00 0.00 C ATOM 100 O MET A 8 5.510 10.731 0.409 1.00 0.00 O ATOM 101 CB MET A 8 7.383 11.964 2.895 1.00 0.00 C ATOM 102 CG MET A 8 8.349 11.275 1.922 1.00 0.00 C ATOM 103 SD MET A 8 8.496 12.250 0.405 1.00 0.00 S ATOM 104 CE MET A 8 9.631 11.142 -0.461 1.00 0.00 C ATOM 0 H MET A 8 5.480 12.826 4.153 1.00 0.00 H new ATOM 0 HA MET A 8 6.145 12.948 1.419 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.811 12.907 3.233 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.244 11.342 3.779 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.328 11.161 2.388 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.989 10.273 1.687 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.864 11.555 -1.443 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.550 11.038 0.116 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.165 10.164 -0.580 1.00 0.00 H new ATOM 114 N LEU A 9 5.018 10.038 2.497 1.00 0.00 N ATOM 115 CA LEU A 9 4.477 8.766 2.071 1.00 0.00 C ATOM 116 C LEU A 9 3.228 8.973 1.232 1.00 0.00 C ATOM 117 O LEU A 9 3.035 8.318 0.209 1.00 0.00 O ATOM 118 CB LEU A 9 4.118 7.938 3.299 1.00 0.00 C ATOM 119 CG LEU A 9 5.385 7.502 4.022 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.003 6.883 5.365 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.173 6.476 3.177 1.00 0.00 C ATOM 0 H LEU A 9 5.001 10.186 3.506 1.00 0.00 H new ATOM 0 HA LEU A 9 5.226 8.249 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.489 8.522 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.540 7.063 3.002 1.00 0.00 H new ATOM 0 HG LEU A 9 6.021 8.373 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.905 6.568 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.471 7.620 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.360 6.019 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.074 6.179 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.552 5.599 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.450 6.926 2.224 1.00 0.00 H new ATOM 133 N LEU A 10 2.380 9.889 1.686 1.00 0.00 N ATOM 134 CA LEU A 10 1.136 10.169 0.979 1.00 0.00 C ATOM 135 C LEU A 10 1.454 10.638 -0.435 1.00 0.00 C ATOM 136 O LEU A 10 0.861 10.173 -1.407 1.00 0.00 O ATOM 137 CB LEU A 10 0.333 11.242 1.743 1.00 0.00 C ATOM 138 CG LEU A 10 -0.961 11.594 0.989 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.806 10.330 0.775 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.772 12.624 1.801 1.00 0.00 C ATOM 0 H LEU A 10 2.528 10.444 2.529 1.00 0.00 H new ATOM 0 HA LEU A 10 0.532 9.264 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.090 10.879 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.941 12.138 1.869 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.701 12.019 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.720 10.589 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.237 9.607 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.062 9.895 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.688 12.871 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.024 12.203 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.178 13.527 1.940 1.00 0.00 H new ATOM 152 N GLU A 11 2.407 11.550 -0.538 1.00 0.00 N ATOM 153 CA GLU A 11 2.825 12.083 -1.829 1.00 0.00 C ATOM 154 C GLU A 11 3.288 10.953 -2.728 1.00 0.00 C ATOM 155 O GLU A 11 2.885 10.815 -3.884 1.00 0.00 O ATOM 156 CB GLU A 11 3.999 13.019 -1.586 1.00 0.00 C ATOM 157 CG GLU A 11 4.329 13.782 -2.864 1.00 0.00 C ATOM 158 CD GLU A 11 5.468 14.761 -2.603 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.751 15.018 -1.444 1.00 0.00 O ATOM 160 OE2 GLU A 11 6.043 15.235 -3.566 1.00 0.00 O ATOM 0 H GLU A 11 2.909 11.940 0.260 1.00 0.00 H new ATOM 0 HA GLU A 11 1.994 12.604 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.757 13.719 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.868 12.449 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.611 13.084 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.448 14.320 -3.215 1.00 0.00 H new ATOM 167 N TRP A 12 4.150 10.165 -2.138 1.00 0.00 N ATOM 168 CA TRP A 12 4.766 9.008 -2.757 1.00 0.00 C ATOM 169 C TRP A 12 3.717 7.949 -3.122 1.00 0.00 C ATOM 170 O TRP A 12 3.491 7.663 -4.298 1.00 0.00 O ATOM 171 CB TRP A 12 5.733 8.505 -1.695 1.00 0.00 C ATOM 172 CG TRP A 12 6.488 7.295 -2.090 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.622 7.275 -2.822 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.224 5.933 -1.695 1.00 0.00 C ATOM 175 NE1 TRP A 12 8.061 5.964 -2.917 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.228 5.098 -2.233 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.204 5.351 -0.931 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.222 3.720 -2.012 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.191 3.969 -0.704 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.200 3.155 -1.242 1.00 0.00 C ATOM 0 H TRP A 12 4.457 10.313 -1.177 1.00 0.00 H new ATOM 0 HA TRP A 12 5.267 9.243 -3.696 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.440 9.300 -1.457 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.175 8.291 -0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 12 8.106 8.136 -3.260 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.895 5.674 -3.428 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.424 5.971 -0.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.998 3.097 -2.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.402 3.528 -0.113 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.187 2.090 -1.061 1.00 0.00 H new ATOM 191 N CYS A 13 3.068 7.386 -2.110 1.00 0.00 N ATOM 192 CA CYS A 13 2.040 6.371 -2.333 1.00 0.00 C ATOM 193 C CYS A 13 1.011 6.841 -3.369 1.00 0.00 C ATOM 194 O CYS A 13 0.674 6.114 -4.304 1.00 0.00 O ATOM 195 CB CYS A 13 1.340 6.079 -0.995 1.00 0.00 C ATOM 196 SG CYS A 13 0.767 4.366 -0.961 1.00 0.00 S ATOM 0 H CYS A 13 3.233 7.613 -1.129 1.00 0.00 H new ATOM 0 HA CYS A 13 2.511 5.467 -2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.028 6.258 -0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.497 6.756 -0.861 1.00 0.00 H new ATOM 0 HG CYS A 13 0.179 4.128 0.174 1.00 0.00 H new ATOM 202 N ARG A 14 0.521 8.057 -3.170 1.00 0.00 N ATOM 203 CA ARG A 14 -0.477 8.636 -4.068 1.00 0.00 C ATOM 204 C ARG A 14 0.087 8.762 -5.474 1.00 0.00 C ATOM 205 O ARG A 14 -0.534 8.355 -6.456 1.00 0.00 O ATOM 206 CB ARG A 14 -0.865 10.027 -3.579 1.00 0.00 C ATOM 207 CG ARG A 14 -2.006 10.581 -4.438 1.00 0.00 C ATOM 208 CD ARG A 14 -2.404 11.969 -3.931 1.00 0.00 C ATOM 209 NE ARG A 14 -3.581 12.452 -4.648 1.00 0.00 N ATOM 210 CZ ARG A 14 -3.470 13.063 -5.825 1.00 0.00 C ATOM 211 NH1 ARG A 14 -3.092 14.312 -5.880 1.00 0.00 N ATOM 212 NH2 ARG A 14 -3.737 12.415 -6.926 1.00 0.00 N ATOM 0 H ARG A 14 0.796 8.663 -2.397 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.349 7.982 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.173 9.982 -2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.004 10.693 -3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.694 10.639 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.863 9.909 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.613 11.927 -2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.576 12.665 -4.067 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.506 12.318 -4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.882 14.820 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.007 14.780 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.031 11.439 -6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.652 12.884 -7.828 1.00 0.00 H new ATOM 226 N ALA A 15 1.271 9.338 -5.546 1.00 0.00 N ATOM 227 CA ALA A 15 1.947 9.544 -6.825 1.00 0.00 C ATOM 228 C ALA A 15 2.014 8.250 -7.630 1.00 0.00 C ATOM 229 O ALA A 15 2.277 8.270 -8.832 1.00 0.00 O ATOM 230 CB ALA A 15 3.361 10.069 -6.582 1.00 0.00 C ATOM 0 H ALA A 15 1.791 9.674 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 15 1.374 10.274 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.862 10.221 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.310 11.016 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.921 9.345 -5.990 1.00 0.00 H new ATOM 236 N MET A 16 1.790 7.124 -6.958 1.00 0.00 N ATOM 237 CA MET A 16 1.833 5.814 -7.609 1.00 0.00 C ATOM 238 C MET A 16 0.457 5.158 -7.599 1.00 0.00 C ATOM 239 O MET A 16 0.281 4.056 -8.121 1.00 0.00 O ATOM 240 CB MET A 16 2.864 4.934 -6.888 1.00 0.00 C ATOM 241 CG MET A 16 4.275 5.317 -7.361 1.00 0.00 C ATOM 242 SD MET A 16 5.506 4.764 -6.149 1.00 0.00 S ATOM 243 CE MET A 16 6.225 6.387 -5.784 1.00 0.00 C ATOM 0 H MET A 16 1.576 7.091 -5.961 1.00 0.00 H new ATOM 0 HA MET A 16 2.128 5.937 -8.651 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.781 5.066 -5.809 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.671 3.882 -7.097 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.478 4.863 -8.331 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.343 6.397 -7.494 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.283 6.271 -5.547 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.117 7.037 -6.653 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.709 6.831 -4.933 1.00 0.00 H new ATOM 253 N THR A 17 -0.520 5.838 -6.999 1.00 0.00 N ATOM 254 CA THR A 17 -1.888 5.316 -6.927 1.00 0.00 C ATOM 255 C THR A 17 -2.802 6.014 -7.945 1.00 0.00 C ATOM 256 O THR A 17 -3.918 5.563 -8.202 1.00 0.00 O ATOM 257 CB THR A 17 -2.442 5.522 -5.504 1.00 0.00 C ATOM 258 OG1 THR A 17 -3.253 4.408 -5.154 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.280 6.808 -5.430 1.00 0.00 C ATOM 0 H THR A 17 -0.392 6.748 -6.557 1.00 0.00 H new ATOM 0 HA THR A 17 -1.864 4.253 -7.165 1.00 0.00 H new ATOM 0 HB THR A 17 -1.607 5.611 -4.809 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.700 3.722 -4.725 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.662 6.935 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.658 7.663 -5.693 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.115 6.739 -6.127 1.00 0.00 H new ATOM 267 N ARG A 18 -2.322 7.118 -8.495 1.00 0.00 N ATOM 268 CA ARG A 18 -3.099 7.873 -9.465 1.00 0.00 C ATOM 269 C ARG A 18 -3.410 6.987 -10.663 1.00 0.00 C ATOM 270 O ARG A 18 -4.564 6.654 -10.937 1.00 0.00 O ATOM 271 CB ARG A 18 -2.288 9.082 -9.909 1.00 0.00 C ATOM 272 CG ARG A 18 -3.106 9.895 -10.900 1.00 0.00 C ATOM 273 CD ARG A 18 -2.369 11.183 -11.245 1.00 0.00 C ATOM 274 NE ARG A 18 -3.219 12.021 -12.080 1.00 0.00 N ATOM 275 CZ ARG A 18 -3.080 13.338 -12.100 1.00 0.00 C ATOM 276 NH1 ARG A 18 -2.212 13.888 -12.901 1.00 0.00 N ATOM 277 NH2 ARG A 18 -3.807 14.079 -11.310 1.00 0.00 N ATOM 0 H ARG A 18 -1.403 7.510 -8.288 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.036 8.206 -9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.025 9.695 -9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.354 8.760 -10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.282 9.313 -11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.083 10.127 -10.475 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.099 11.715 -10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.440 10.954 -11.767 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.935 11.585 -12.661 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.640 13.304 -13.512 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.104 14.902 -12.917 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.480 13.644 -10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.702 15.094 -11.323 1.00 0.00 H new ATOM 291 N ASN A 19 -2.344 6.605 -11.354 1.00 0.00 N ATOM 292 CA ASN A 19 -2.451 5.750 -12.533 1.00 0.00 C ATOM 293 C ASN A 19 -3.397 4.592 -12.241 1.00 0.00 C ATOM 294 O ASN A 19 -3.988 4.005 -13.149 1.00 0.00 O ATOM 295 CB ASN A 19 -1.069 5.206 -12.905 1.00 0.00 C ATOM 296 CG ASN A 19 -0.312 4.790 -11.647 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.339 5.499 -10.640 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.359 3.672 -11.639 1.00 0.00 N ATOM 0 H ASN A 19 -1.389 6.875 -11.118 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.842 6.334 -13.366 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.174 4.352 -13.574 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.504 5.966 -13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.861 3.385 -10.799 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.382 3.085 -12.473 1.00 0.00 H new ATOM 305 N TYR A 20 -3.526 4.273 -10.962 1.00 0.00 N ATOM 306 CA TYR A 20 -4.394 3.189 -10.521 1.00 0.00 C ATOM 307 C TYR A 20 -5.796 3.713 -10.225 1.00 0.00 C ATOM 308 O TYR A 20 -6.048 4.274 -9.166 1.00 0.00 O ATOM 309 CB TYR A 20 -3.797 2.560 -9.259 1.00 0.00 C ATOM 310 CG TYR A 20 -2.694 1.604 -9.637 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.415 2.084 -9.922 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.960 0.234 -9.705 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.398 1.194 -10.275 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.945 -0.660 -10.057 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.661 -0.179 -10.344 1.00 0.00 C ATOM 316 OH TYR A 20 0.347 -1.057 -10.686 1.00 0.00 O ATOM 0 H TYR A 20 -3.037 4.753 -10.206 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.468 2.442 -11.311 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.407 3.338 -8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.572 2.033 -8.703 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.212 3.143 -9.870 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.951 -0.135 -9.485 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.592 1.566 -10.495 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.150 -1.719 -10.108 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.042 -1.862 -11.086 1.00 0.00 H new ATOM 326 N GLU A 21 -6.695 3.542 -11.180 1.00 0.00 N ATOM 327 CA GLU A 21 -8.072 4.009 -11.027 1.00 0.00 C ATOM 328 C GLU A 21 -8.806 3.193 -9.978 1.00 0.00 C ATOM 329 O GLU A 21 -8.252 2.249 -9.416 1.00 0.00 O ATOM 330 CB GLU A 21 -8.818 3.884 -12.352 1.00 0.00 C ATOM 331 CG GLU A 21 -8.182 4.811 -13.397 1.00 0.00 C ATOM 332 CD GLU A 21 -6.952 4.141 -14.006 1.00 0.00 C ATOM 333 OE1 GLU A 21 -6.560 3.098 -13.511 1.00 0.00 O ATOM 334 OE2 GLU A 21 -6.414 4.688 -14.950 1.00 0.00 O ATOM 0 H GLU A 21 -6.501 3.084 -12.071 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.038 5.052 -10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.787 2.852 -12.701 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.868 4.142 -12.214 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.905 5.042 -14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.900 5.756 -12.934 1.00 0.00 H new ATOM 341 N HIS A 22 -10.054 3.573 -9.711 1.00 0.00 N ATOM 342 CA HIS A 22 -10.859 2.878 -8.712 1.00 0.00 C ATOM 343 C HIS A 22 -10.173 3.001 -7.350 1.00 0.00 C ATOM 344 O HIS A 22 -10.673 2.530 -6.331 1.00 0.00 O ATOM 345 CB HIS A 22 -11.023 1.400 -9.127 1.00 0.00 C ATOM 346 CG HIS A 22 -12.083 0.720 -8.297 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.031 0.691 -6.917 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.209 0.007 -8.642 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.088 -0.014 -6.482 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.842 -0.457 -7.492 1.00 0.00 N ATOM 0 H HIS A 22 -10.526 4.353 -10.169 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.852 3.323 -8.642 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.290 1.342 -10.182 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.073 0.878 -9.009 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.317 1.127 -6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.550 -0.166 -9.652 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.303 -0.201 -5.440 1.00 0.00 H new ATOM 358 N VAL A 23 -9.009 3.651 -7.354 1.00 0.00 N ATOM 359 CA VAL A 23 -8.220 3.856 -6.144 1.00 0.00 C ATOM 360 C VAL A 23 -7.908 5.338 -5.966 1.00 0.00 C ATOM 361 O VAL A 23 -7.443 6.001 -6.892 1.00 0.00 O ATOM 362 CB VAL A 23 -6.912 3.067 -6.271 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.059 3.233 -5.018 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.228 1.583 -6.486 1.00 0.00 C ATOM 0 H VAL A 23 -8.589 4.048 -8.195 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.784 3.511 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.354 3.452 -7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.135 2.665 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.822 4.287 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.609 2.865 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.298 1.022 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.798 1.206 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.813 1.464 -7.398 1.00 0.00 H new ATOM 374 N ASP A 24 -8.161 5.845 -4.766 1.00 0.00 N ATOM 375 CA ASP A 24 -7.898 7.254 -4.452 1.00 0.00 C ATOM 376 C ASP A 24 -7.450 7.367 -3.004 1.00 0.00 C ATOM 377 O ASP A 24 -8.248 7.188 -2.092 1.00 0.00 O ATOM 378 CB ASP A 24 -9.156 8.092 -4.676 1.00 0.00 C ATOM 379 CG ASP A 24 -9.583 7.999 -6.135 1.00 0.00 C ATOM 380 OD1 ASP A 24 -8.719 8.088 -6.991 1.00 0.00 O ATOM 381 OD2 ASP A 24 -10.766 7.828 -6.376 1.00 0.00 O ATOM 0 H ASP A 24 -8.548 5.306 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.113 7.628 -5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.959 7.739 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.964 9.131 -4.409 1.00 0.00 H new ATOM 386 N ILE A 25 -6.165 7.632 -2.799 1.00 0.00 N ATOM 387 CA ILE A 25 -5.616 7.720 -1.445 1.00 0.00 C ATOM 388 C ILE A 25 -5.751 9.123 -0.841 1.00 0.00 C ATOM 389 O ILE A 25 -4.843 9.951 -0.925 1.00 0.00 O ATOM 390 CB ILE A 25 -4.150 7.269 -1.478 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.114 5.812 -1.954 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.541 7.367 -0.078 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.670 5.348 -2.171 1.00 0.00 C ATOM 0 H ILE A 25 -5.486 7.789 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.194 7.062 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.576 7.906 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.600 5.172 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.676 5.714 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.500 7.045 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.591 8.399 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.098 6.727 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.668 4.312 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.195 5.976 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.118 5.426 -1.234 1.00 0.00 H new ATOM 405 N GLN A 26 -6.905 9.348 -0.204 1.00 0.00 N ATOM 406 CA GLN A 26 -7.202 10.617 0.464 1.00 0.00 C ATOM 407 C GLN A 26 -6.790 10.519 1.925 1.00 0.00 C ATOM 408 O GLN A 26 -6.532 11.521 2.592 1.00 0.00 O ATOM 409 CB GLN A 26 -8.700 10.922 0.372 1.00 0.00 C ATOM 410 CG GLN A 26 -9.501 9.773 0.987 1.00 0.00 C ATOM 411 CD GLN A 26 -10.994 10.054 0.861 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.812 9.146 1.013 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.401 11.263 0.585 1.00 0.00 N ATOM 0 H GLN A 26 -7.655 8.659 -0.138 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.649 11.420 -0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.924 11.853 0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.989 11.062 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.255 8.837 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.232 9.652 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.722 12.014 0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.398 11.457 0.495 1.00 0.00 H new ATOM 422 N ASN A 27 -6.714 9.285 2.400 1.00 0.00 N ATOM 423 CA ASN A 27 -6.315 9.003 3.770 1.00 0.00 C ATOM 424 C ASN A 27 -5.591 7.673 3.785 1.00 0.00 C ATOM 425 O ASN A 27 -5.360 7.078 2.733 1.00 0.00 O ATOM 426 CB ASN A 27 -7.537 8.943 4.694 1.00 0.00 C ATOM 427 CG ASN A 27 -7.095 8.913 6.157 1.00 0.00 C ATOM 428 OD1 ASN A 27 -6.431 9.838 6.626 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.427 7.898 6.910 1.00 0.00 N ATOM 0 H ASN A 27 -6.926 8.454 1.849 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.663 9.798 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.177 9.807 4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.129 8.056 4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.136 7.871 7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.977 7.132 6.520 1.00 0.00 H new ATOM 436 N PHE A 28 -5.219 7.209 4.965 1.00 0.00 N ATOM 437 CA PHE A 28 -4.507 5.939 5.084 1.00 0.00 C ATOM 438 C PHE A 28 -5.429 4.863 5.640 1.00 0.00 C ATOM 439 O PHE A 28 -5.088 3.683 5.648 1.00 0.00 O ATOM 440 CB PHE A 28 -3.303 6.127 6.011 1.00 0.00 C ATOM 441 CG PHE A 28 -2.199 6.834 5.261 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.151 8.233 5.232 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.227 6.087 4.587 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.129 8.881 4.528 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.206 6.734 3.884 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.156 8.133 3.855 1.00 0.00 C ATOM 0 H PHE A 28 -5.394 7.684 5.850 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.167 5.623 4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.592 6.707 6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.952 5.160 6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.901 8.811 5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.265 5.008 4.610 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.091 9.960 4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.543 6.155 3.364 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.633 8.635 3.314 1.00 0.00 H new ATOM 456 N SER A 29 -6.580 5.293 6.136 1.00 0.00 N ATOM 457 CA SER A 29 -7.551 4.379 6.749 1.00 0.00 C ATOM 458 C SER A 29 -8.756 4.110 5.848 1.00 0.00 C ATOM 459 O SER A 29 -8.916 3.017 5.311 1.00 0.00 O ATOM 460 CB SER A 29 -8.044 5.001 8.054 1.00 0.00 C ATOM 461 OG SER A 29 -6.936 5.221 8.917 1.00 0.00 O ATOM 0 H SER A 29 -6.871 6.271 6.129 1.00 0.00 H new ATOM 0 HA SER A 29 -7.050 3.426 6.919 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.555 5.942 7.852 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.768 4.342 8.534 1.00 0.00 H new ATOM 0 HG SER A 29 -7.249 5.622 9.755 1.00 0.00 H new ATOM 467 N SER A 30 -9.612 5.111 5.717 1.00 0.00 N ATOM 468 CA SER A 30 -10.824 4.982 4.913 1.00 0.00 C ATOM 469 C SER A 30 -10.513 4.705 3.450 1.00 0.00 C ATOM 470 O SER A 30 -11.170 3.882 2.814 1.00 0.00 O ATOM 471 CB SER A 30 -11.647 6.262 5.015 1.00 0.00 C ATOM 472 OG SER A 30 -10.858 7.363 4.580 1.00 0.00 O ATOM 0 H SER A 30 -9.493 6.024 6.156 1.00 0.00 H new ATOM 0 HA SER A 30 -11.387 4.134 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.546 6.180 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.974 6.417 6.043 1.00 0.00 H new ATOM 0 HG SER A 30 -11.384 8.187 4.642 1.00 0.00 H new ATOM 478 N SER A 31 -9.537 5.411 2.911 1.00 0.00 N ATOM 479 CA SER A 31 -9.192 5.236 1.509 1.00 0.00 C ATOM 480 C SER A 31 -8.572 3.864 1.272 1.00 0.00 C ATOM 481 O SER A 31 -8.179 3.536 0.154 1.00 0.00 O ATOM 482 CB SER A 31 -8.212 6.333 1.079 1.00 0.00 C ATOM 483 OG SER A 31 -6.892 5.811 1.026 1.00 0.00 O ATOM 0 H SER A 31 -8.976 6.101 3.411 1.00 0.00 H new ATOM 0 HA SER A 31 -10.103 5.308 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.497 6.724 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.255 7.166 1.781 1.00 0.00 H new ATOM 0 HG SER A 31 -6.441 5.973 1.881 1.00 0.00 H new ATOM 489 N TRP A 32 -8.473 3.069 2.338 1.00 0.00 N ATOM 490 CA TRP A 32 -7.882 1.733 2.247 1.00 0.00 C ATOM 491 C TRP A 32 -8.925 0.644 2.490 1.00 0.00 C ATOM 492 O TRP A 32 -8.614 -0.545 2.430 1.00 0.00 O ATOM 493 CB TRP A 32 -6.784 1.627 3.293 1.00 0.00 C ATOM 494 CG TRP A 32 -5.622 2.445 2.873 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.650 3.780 2.705 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.273 2.013 2.579 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.399 4.200 2.302 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.509 3.145 2.219 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.646 0.760 2.584 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.163 3.034 1.883 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.292 0.644 2.241 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.550 1.779 1.894 1.00 0.00 C ATOM 0 H TRP A 32 -8.793 3.326 3.272 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.480 1.590 1.244 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.153 1.970 4.260 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.484 0.586 3.417 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.509 4.417 2.860 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.160 5.169 2.091 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.209 -0.121 2.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.596 3.913 1.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.818 -0.327 2.244 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.506 1.685 1.635 1.00 0.00 H new ATOM 513 N SER A 33 -10.152 1.050 2.783 1.00 0.00 N ATOM 514 CA SER A 33 -11.220 0.089 3.050 1.00 0.00 C ATOM 515 C SER A 33 -11.514 -0.766 1.822 1.00 0.00 C ATOM 516 O SER A 33 -12.370 -1.650 1.868 1.00 0.00 O ATOM 517 CB SER A 33 -12.490 0.826 3.465 1.00 0.00 C ATOM 518 OG SER A 33 -13.475 -0.122 3.860 1.00 0.00 O ATOM 0 H SER A 33 -10.434 2.028 2.842 1.00 0.00 H new ATOM 0 HA SER A 33 -10.888 -0.565 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.276 1.509 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.861 1.430 2.637 1.00 0.00 H new ATOM 0 HG SER A 33 -13.348 -0.954 3.358 1.00 0.00 H new ATOM 524 N SER A 34 -10.813 -0.504 0.717 1.00 0.00 N ATOM 525 CA SER A 34 -11.032 -1.264 -0.514 1.00 0.00 C ATOM 526 C SER A 34 -10.063 -2.435 -0.634 1.00 0.00 C ATOM 527 O SER A 34 -10.348 -3.416 -1.319 1.00 0.00 O ATOM 528 CB SER A 34 -10.840 -0.346 -1.720 1.00 0.00 C ATOM 529 OG SER A 34 -9.493 0.113 -1.747 1.00 0.00 O ATOM 0 H SER A 34 -10.097 0.220 0.649 1.00 0.00 H new ATOM 0 HA SER A 34 -12.048 -1.657 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.073 -0.881 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.524 0.500 -1.661 1.00 0.00 H new ATOM 0 HG SER A 34 -9.402 0.821 -2.419 1.00 0.00 H new ATOM 535 N GLY A 35 -8.906 -2.321 0.007 1.00 0.00 N ATOM 536 CA GLY A 35 -7.902 -3.375 -0.081 1.00 0.00 C ATOM 537 C GLY A 35 -7.181 -3.258 -1.414 1.00 0.00 C ATOM 538 O GLY A 35 -6.115 -3.842 -1.624 1.00 0.00 O ATOM 0 H GLY A 35 -8.642 -1.523 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.191 -3.288 0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.374 -4.354 0.008 1.00 0.00 H new ATOM 542 N MET A 36 -7.784 -2.475 -2.301 1.00 0.00 N ATOM 543 CA MET A 36 -7.234 -2.230 -3.619 1.00 0.00 C ATOM 544 C MET A 36 -5.928 -1.450 -3.510 1.00 0.00 C ATOM 545 O MET A 36 -5.055 -1.554 -4.372 1.00 0.00 O ATOM 546 CB MET A 36 -8.251 -1.446 -4.456 1.00 0.00 C ATOM 547 CG MET A 36 -9.461 -2.327 -4.761 1.00 0.00 C ATOM 548 SD MET A 36 -10.574 -1.446 -5.885 1.00 0.00 S ATOM 549 CE MET A 36 -11.313 -2.907 -6.653 1.00 0.00 C ATOM 0 H MET A 36 -8.666 -1.995 -2.122 1.00 0.00 H new ATOM 0 HA MET A 36 -7.026 -3.183 -4.105 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.567 -0.553 -3.917 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.790 -1.112 -5.385 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.138 -3.265 -5.212 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.983 -2.580 -3.838 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.047 -2.595 -7.397 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.534 -3.497 -7.136 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.804 -3.510 -5.890 1.00 0.00 H new ATOM 559 N ALA A 37 -5.803 -0.659 -2.447 1.00 0.00 N ATOM 560 CA ALA A 37 -4.599 0.143 -2.245 1.00 0.00 C ATOM 561 C ALA A 37 -3.370 -0.745 -2.020 1.00 0.00 C ATOM 562 O ALA A 37 -2.346 -0.564 -2.677 1.00 0.00 O ATOM 563 CB ALA A 37 -4.790 1.082 -1.055 1.00 0.00 C ATOM 0 H ALA A 37 -6.511 -0.556 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.430 0.731 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.887 1.676 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.634 1.745 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.985 0.496 -0.157 1.00 0.00 H new ATOM 569 N PHE A 38 -3.463 -1.692 -1.084 1.00 0.00 N ATOM 570 CA PHE A 38 -2.332 -2.576 -0.795 1.00 0.00 C ATOM 571 C PHE A 38 -1.891 -3.328 -2.052 1.00 0.00 C ATOM 572 O PHE A 38 -0.702 -3.574 -2.253 1.00 0.00 O ATOM 573 CB PHE A 38 -2.707 -3.584 0.322 1.00 0.00 C ATOM 574 CG PHE A 38 -2.328 -3.028 1.680 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.974 -2.897 2.016 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.315 -2.649 2.599 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.608 -2.390 3.268 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.944 -2.143 3.853 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.593 -2.014 4.183 1.00 0.00 C ATOM 0 H PHE A 38 -4.296 -1.865 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.501 -1.960 -0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.777 -3.790 0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.195 -4.531 0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.212 -3.188 1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.360 -2.746 2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.436 -2.290 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.703 -1.853 4.564 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.310 -1.622 5.149 1.00 0.00 H new ATOM 589 N CYS A 39 -2.850 -3.711 -2.878 1.00 0.00 N ATOM 590 CA CYS A 39 -2.531 -4.451 -4.097 1.00 0.00 C ATOM 591 C CYS A 39 -2.004 -3.523 -5.193 1.00 0.00 C ATOM 592 O CYS A 39 -1.022 -3.830 -5.866 1.00 0.00 O ATOM 593 CB CYS A 39 -3.781 -5.168 -4.608 1.00 0.00 C ATOM 594 SG CYS A 39 -4.384 -6.308 -3.344 1.00 0.00 S ATOM 0 H CYS A 39 -3.843 -3.528 -2.734 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.754 -5.175 -3.854 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.554 -4.441 -4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.551 -5.713 -5.524 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.135 -7.213 -3.898 1.00 0.00 H new ATOM 600 N ALA A 40 -2.687 -2.402 -5.370 1.00 0.00 N ATOM 601 CA ALA A 40 -2.331 -1.428 -6.400 1.00 0.00 C ATOM 602 C ALA A 40 -0.930 -0.849 -6.204 1.00 0.00 C ATOM 603 O ALA A 40 -0.185 -0.669 -7.166 1.00 0.00 O ATOM 604 CB ALA A 40 -3.349 -0.289 -6.377 1.00 0.00 C ATOM 0 H ALA A 40 -3.498 -2.140 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.339 -1.946 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.093 0.444 -7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.344 -0.687 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.337 0.190 -5.398 1.00 0.00 H new ATOM 610 N LEU A 41 -0.588 -0.545 -4.964 1.00 0.00 N ATOM 611 CA LEU A 41 0.717 0.034 -4.654 1.00 0.00 C ATOM 612 C LEU A 41 1.844 -0.932 -5.031 1.00 0.00 C ATOM 613 O LEU A 41 2.841 -0.534 -5.633 1.00 0.00 O ATOM 614 CB LEU A 41 0.759 0.362 -3.155 1.00 0.00 C ATOM 615 CG LEU A 41 2.115 0.955 -2.749 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.356 2.287 -3.481 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.104 1.196 -1.236 1.00 0.00 C ATOM 0 H LEU A 41 -1.191 -0.687 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 41 0.863 0.945 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.036 1.068 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.568 -0.543 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 41 2.913 0.263 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.321 2.696 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.350 2.117 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.567 2.993 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.061 1.618 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.303 1.891 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.941 0.251 -0.718 1.00 0.00 H new ATOM 629 N ILE A 42 1.670 -2.201 -4.679 1.00 0.00 N ATOM 630 CA ILE A 42 2.662 -3.234 -4.982 1.00 0.00 C ATOM 631 C ILE A 42 2.787 -3.471 -6.492 1.00 0.00 C ATOM 632 O ILE A 42 3.891 -3.622 -7.016 1.00 0.00 O ATOM 633 CB ILE A 42 2.248 -4.539 -4.276 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.379 -4.369 -2.749 1.00 0.00 C ATOM 635 CG2 ILE A 42 3.113 -5.724 -4.730 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.840 -4.073 -2.336 1.00 0.00 C ATOM 0 H ILE A 42 0.848 -2.543 -4.181 1.00 0.00 H new ATOM 0 HA ILE A 42 3.636 -2.901 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 42 1.212 -4.749 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.734 -3.556 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.035 -5.275 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.793 -6.628 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.003 -5.864 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.158 -5.522 -4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.896 -3.959 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.480 -4.898 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.174 -3.153 -2.816 1.00 0.00 H new ATOM 648 N HIS A 43 1.649 -3.530 -7.172 1.00 0.00 N ATOM 649 CA HIS A 43 1.629 -3.782 -8.614 1.00 0.00 C ATOM 650 C HIS A 43 2.518 -2.792 -9.365 1.00 0.00 C ATOM 651 O HIS A 43 2.768 -2.950 -10.560 1.00 0.00 O ATOM 652 CB HIS A 43 0.189 -3.667 -9.121 1.00 0.00 C ATOM 653 CG HIS A 43 0.111 -4.093 -10.560 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.264 -3.221 -11.571 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.344 -5.297 -11.176 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.250 -3.907 -12.727 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.114 -5.179 -12.543 1.00 0.00 N ATOM 0 H HIS A 43 0.727 -3.408 -6.752 1.00 0.00 H new ATOM 0 HA HIS A 43 2.016 -4.785 -8.796 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.469 -4.289 -8.514 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.160 -2.639 -9.019 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.659 -6.200 -10.675 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.502 -3.482 -13.687 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.204 -5.907 -13.252 1.00 0.00 H new ATOM 665 N LYS A 44 2.982 -1.774 -8.654 1.00 0.00 N ATOM 666 CA LYS A 44 3.834 -0.749 -9.256 1.00 0.00 C ATOM 667 C LYS A 44 5.308 -1.184 -9.263 1.00 0.00 C ATOM 668 O LYS A 44 6.068 -0.860 -10.173 1.00 0.00 O ATOM 669 CB LYS A 44 3.695 0.566 -8.455 1.00 0.00 C ATOM 670 CG LYS A 44 3.684 1.774 -9.405 1.00 0.00 C ATOM 671 CD LYS A 44 4.990 1.846 -10.198 1.00 0.00 C ATOM 672 CE LYS A 44 5.022 3.131 -11.023 1.00 0.00 C ATOM 673 NZ LYS A 44 4.158 2.966 -12.224 1.00 0.00 N ATOM 0 H LYS A 44 2.786 -1.633 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 44 3.514 -0.600 -10.287 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.776 0.547 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.520 0.658 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.840 1.697 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.548 2.692 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.841 1.818 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.077 0.979 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.673 3.971 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.045 3.358 -11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.541 3.532 -13.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.135 1.964 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.193 3.287 -12.004 1.00 0.00 H new ATOM 687 N PHE A 45 5.707 -1.891 -8.220 1.00 0.00 N ATOM 688 CA PHE A 45 7.093 -2.332 -8.086 1.00 0.00 C ATOM 689 C PHE A 45 7.353 -3.633 -8.840 1.00 0.00 C ATOM 690 O PHE A 45 8.414 -3.808 -9.436 1.00 0.00 O ATOM 691 CB PHE A 45 7.411 -2.520 -6.600 1.00 0.00 C ATOM 692 CG PHE A 45 6.749 -1.425 -5.783 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.809 -0.083 -6.196 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.072 -1.757 -4.603 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.194 0.914 -5.429 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.460 -0.758 -3.840 1.00 0.00 C ATOM 697 CZ PHE A 45 5.521 0.577 -4.253 1.00 0.00 C ATOM 0 H PHE A 45 5.096 -2.174 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 45 7.739 -1.570 -8.521 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.060 -3.496 -6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.490 -2.498 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.330 0.179 -7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.023 -2.787 -4.282 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.240 1.945 -5.747 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.939 -1.018 -2.930 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.047 1.347 -3.662 1.00 0.00 H new ATOM 707 N PHE A 46 6.394 -4.552 -8.787 1.00 0.00 N ATOM 708 CA PHE A 46 6.543 -5.855 -9.439 1.00 0.00 C ATOM 709 C PHE A 46 5.380 -6.131 -10.410 1.00 0.00 C ATOM 710 O PHE A 46 4.278 -6.449 -9.966 1.00 0.00 O ATOM 711 CB PHE A 46 6.580 -6.915 -8.346 1.00 0.00 C ATOM 712 CG PHE A 46 7.457 -6.413 -7.225 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.829 -6.265 -7.433 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.897 -6.082 -5.987 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.644 -5.789 -6.401 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.708 -5.604 -4.955 1.00 0.00 C ATOM 717 CZ PHE A 46 9.080 -5.459 -5.160 1.00 0.00 C ATOM 0 H PHE A 46 5.506 -4.422 -8.301 1.00 0.00 H new ATOM 0 HA PHE A 46 7.461 -5.871 -10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.574 -7.117 -7.979 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.969 -7.853 -8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.261 -6.518 -8.390 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.835 -6.196 -5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.706 -5.676 -6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.274 -5.347 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.709 -5.092 -4.362 1.00 0.00 H new ATOM 727 N PRO A 47 5.583 -6.016 -11.716 1.00 0.00 N ATOM 728 CA PRO A 47 4.494 -6.269 -12.711 1.00 0.00 C ATOM 729 C PRO A 47 4.152 -7.755 -12.813 1.00 0.00 C ATOM 730 O PRO A 47 3.011 -8.127 -13.087 1.00 0.00 O ATOM 731 CB PRO A 47 5.043 -5.730 -14.055 1.00 0.00 C ATOM 732 CG PRO A 47 6.418 -5.182 -13.777 1.00 0.00 C ATOM 733 CD PRO A 47 6.845 -5.659 -12.385 1.00 0.00 C ATOM 0 HA PRO A 47 3.566 -5.777 -12.419 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.087 -6.524 -14.800 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.391 -4.953 -14.455 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.125 -5.526 -14.531 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.410 -4.093 -13.821 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.517 -6.515 -12.447 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.375 -4.876 -11.842 1.00 0.00 H new ATOM 741 N GLU A 48 5.156 -8.591 -12.582 1.00 0.00 N ATOM 742 CA GLU A 48 4.963 -10.032 -12.640 1.00 0.00 C ATOM 743 C GLU A 48 4.142 -10.462 -11.434 1.00 0.00 C ATOM 744 O GLU A 48 3.926 -11.649 -11.189 1.00 0.00 O ATOM 745 CB GLU A 48 6.325 -10.741 -12.646 1.00 0.00 C ATOM 746 CG GLU A 48 7.071 -10.404 -13.944 1.00 0.00 C ATOM 747 CD GLU A 48 8.457 -11.046 -13.939 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.786 -11.691 -12.958 1.00 0.00 O ATOM 749 OE2 GLU A 48 9.169 -10.881 -14.917 1.00 0.00 O ATOM 0 H GLU A 48 6.106 -8.298 -12.354 1.00 0.00 H new ATOM 0 HA GLU A 48 4.434 -10.303 -13.554 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.914 -10.428 -11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.186 -11.819 -12.563 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.501 -10.760 -14.802 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.164 -9.323 -14.048 1.00 0.00 H new ATOM 756 N ALA A 49 3.704 -9.456 -10.682 1.00 0.00 N ATOM 757 CA ALA A 49 2.909 -9.678 -9.473 1.00 0.00 C ATOM 758 C ALA A 49 1.565 -10.306 -9.789 1.00 0.00 C ATOM 759 O ALA A 49 1.338 -11.492 -9.553 1.00 0.00 O ATOM 760 CB ALA A 49 2.647 -8.337 -8.780 1.00 0.00 C ATOM 0 H ALA A 49 3.886 -8.474 -10.888 1.00 0.00 H new ATOM 0 HA ALA A 49 3.475 -10.353 -8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.055 -8.502 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.597 -7.875 -8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.103 -7.678 -9.456 1.00 0.00 H new ATOM 766 N PHE A 50 0.681 -9.490 -10.338 1.00 0.00 N ATOM 767 CA PHE A 50 -0.646 -9.931 -10.704 1.00 0.00 C ATOM 768 C PHE A 50 -1.324 -8.865 -11.551 1.00 0.00 C ATOM 769 O PHE A 50 -0.915 -7.703 -11.552 1.00 0.00 O ATOM 770 CB PHE A 50 -1.481 -10.202 -9.450 1.00 0.00 C ATOM 771 CG PHE A 50 -1.307 -9.072 -8.458 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.973 -7.854 -8.654 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.482 -9.242 -7.338 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.812 -6.810 -7.733 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.322 -8.198 -6.419 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.986 -6.982 -6.616 1.00 0.00 C ATOM 0 H PHE A 50 0.866 -8.508 -10.540 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.564 -10.854 -11.278 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.533 -10.303 -9.718 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.176 -11.145 -8.997 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.611 -7.720 -9.515 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.031 -10.180 -7.184 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.326 -5.872 -7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.315 -8.331 -5.557 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.861 -6.177 -5.907 1.00 0.00 H new ATOM 786 N ASP A 51 -2.377 -9.259 -12.251 1.00 0.00 N ATOM 787 CA ASP A 51 -3.121 -8.323 -13.081 1.00 0.00 C ATOM 788 C ASP A 51 -4.131 -7.573 -12.213 1.00 0.00 C ATOM 789 O ASP A 51 -5.228 -8.068 -11.957 1.00 0.00 O ATOM 790 CB ASP A 51 -3.854 -9.073 -14.196 1.00 0.00 C ATOM 791 CG ASP A 51 -2.863 -9.563 -15.244 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.722 -9.132 -15.200 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.258 -10.364 -16.075 1.00 0.00 O ATOM 0 H ASP A 51 -2.734 -10.214 -12.262 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.427 -7.614 -13.533 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.399 -9.919 -13.777 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.591 -8.418 -14.661 1.00 0.00 H new ATOM 798 N TYR A 52 -3.743 -6.389 -11.744 1.00 0.00 N ATOM 799 CA TYR A 52 -4.608 -5.587 -10.888 1.00 0.00 C ATOM 800 C TYR A 52 -5.917 -5.275 -11.582 1.00 0.00 C ATOM 801 O TYR A 52 -6.917 -4.964 -10.935 1.00 0.00 O ATOM 802 CB TYR A 52 -3.909 -4.275 -10.540 1.00 0.00 C ATOM 803 CG TYR A 52 -4.852 -3.363 -9.782 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.952 -3.455 -8.389 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.635 -2.432 -10.478 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.832 -2.617 -7.693 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.515 -1.594 -9.782 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.613 -1.687 -8.388 1.00 0.00 C ATOM 809 OH TYR A 52 -7.480 -0.861 -7.700 1.00 0.00 O ATOM 0 H TYR A 52 -2.836 -5.966 -11.943 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.815 -6.157 -9.982 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.023 -4.476 -9.937 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.570 -3.783 -11.451 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.350 -4.172 -7.851 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.560 -2.361 -11.553 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.908 -2.689 -6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.117 -0.877 -10.320 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.315 -0.771 -8.204 1.00 0.00 H new ATOM 819 N ALA A 53 -5.907 -5.358 -12.898 1.00 0.00 N ATOM 820 CA ALA A 53 -7.104 -5.079 -13.675 1.00 0.00 C ATOM 821 C ALA A 53 -8.001 -6.309 -13.724 1.00 0.00 C ATOM 822 O ALA A 53 -9.182 -6.214 -14.054 1.00 0.00 O ATOM 823 CB ALA A 53 -6.711 -4.668 -15.093 1.00 0.00 C ATOM 0 H ALA A 53 -5.089 -5.615 -13.451 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.652 -4.265 -13.200 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.610 -4.459 -15.674 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.089 -3.774 -15.053 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.154 -5.477 -15.565 1.00 0.00 H new ATOM 829 N GLU A 54 -7.430 -7.468 -13.409 1.00 0.00 N ATOM 830 CA GLU A 54 -8.178 -8.720 -13.432 1.00 0.00 C ATOM 831 C GLU A 54 -8.905 -8.933 -12.116 1.00 0.00 C ATOM 832 O GLU A 54 -9.877 -9.686 -12.047 1.00 0.00 O ATOM 833 CB GLU A 54 -7.198 -9.871 -13.636 1.00 0.00 C ATOM 834 CG GLU A 54 -7.952 -11.171 -13.933 1.00 0.00 C ATOM 835 CD GLU A 54 -6.960 -12.308 -14.163 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.788 -12.018 -14.334 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.389 -13.450 -14.168 1.00 0.00 O ATOM 0 H GLU A 54 -6.452 -7.566 -13.135 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.908 -8.681 -14.240 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.522 -9.639 -14.459 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.583 -9.996 -12.744 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.613 -11.416 -13.101 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.582 -11.043 -14.813 1.00 0.00 H new ATOM 844 N LEU A 55 -8.428 -8.269 -11.069 1.00 0.00 N ATOM 845 CA LEU A 55 -9.036 -8.400 -9.750 1.00 0.00 C ATOM 846 C LEU A 55 -10.335 -7.607 -9.664 1.00 0.00 C ATOM 847 O LEU A 55 -10.511 -6.599 -10.350 1.00 0.00 O ATOM 848 CB LEU A 55 -8.045 -7.901 -8.704 1.00 0.00 C ATOM 849 CG LEU A 55 -6.837 -8.860 -8.651 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.672 -8.210 -7.885 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.236 -10.187 -7.963 1.00 0.00 C ATOM 0 H LEU A 55 -7.627 -7.638 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.276 -9.448 -9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.713 -6.893 -8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.525 -7.848 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.518 -9.069 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.827 -8.898 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.374 -7.290 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.989 -7.981 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.375 -10.854 -7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.573 -9.983 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.042 -10.660 -8.525 1.00 0.00 H new ATOM 863 N ASP A 56 -11.248 -8.086 -8.815 1.00 0.00 N ATOM 864 CA ASP A 56 -12.545 -7.440 -8.632 1.00 0.00 C ATOM 865 C ASP A 56 -12.744 -7.051 -7.160 1.00 0.00 C ATOM 866 O ASP A 56 -12.012 -7.527 -6.292 1.00 0.00 O ATOM 867 CB ASP A 56 -13.649 -8.421 -9.077 1.00 0.00 C ATOM 868 CG ASP A 56 -13.931 -8.273 -10.573 1.00 0.00 C ATOM 869 OD1 ASP A 56 -14.099 -7.148 -11.016 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.977 -9.286 -11.249 1.00 0.00 O ATOM 0 H ASP A 56 -11.110 -8.920 -8.244 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.592 -6.531 -9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.343 -9.444 -8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.560 -8.233 -8.509 1.00 0.00 H new ATOM 875 N PRO A 57 -13.718 -6.215 -6.852 1.00 0.00 N ATOM 876 CA PRO A 57 -13.992 -5.795 -5.450 1.00 0.00 C ATOM 877 C PRO A 57 -14.679 -6.921 -4.688 1.00 0.00 C ATOM 878 O PRO A 57 -14.789 -6.894 -3.461 1.00 0.00 O ATOM 879 CB PRO A 57 -14.914 -4.556 -5.576 1.00 0.00 C ATOM 880 CG PRO A 57 -15.138 -4.334 -7.050 1.00 0.00 C ATOM 881 CD PRO A 57 -14.673 -5.592 -7.783 1.00 0.00 C ATOM 0 HA PRO A 57 -13.082 -5.561 -4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.860 -4.723 -5.061 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.452 -3.681 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.191 -4.140 -7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.582 -3.462 -7.395 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.508 -6.257 -8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.201 -5.348 -8.735 1.00 0.00 H new ATOM 889 N ALA A 58 -15.147 -7.906 -5.445 1.00 0.00 N ATOM 890 CA ALA A 58 -15.830 -9.053 -4.870 1.00 0.00 C ATOM 891 C ALA A 58 -14.856 -9.905 -4.070 1.00 0.00 C ATOM 892 O ALA A 58 -15.171 -10.383 -2.979 1.00 0.00 O ATOM 893 CB ALA A 58 -16.439 -9.896 -5.993 1.00 0.00 C ATOM 0 H ALA A 58 -15.064 -7.931 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.616 -8.698 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.952 -10.757 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.151 -9.292 -6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.648 -10.240 -6.660 1.00 0.00 H new ATOM 899 N LYS A 59 -13.668 -10.096 -4.639 1.00 0.00 N ATOM 900 CA LYS A 59 -12.629 -10.907 -4.006 1.00 0.00 C ATOM 901 C LYS A 59 -11.740 -10.047 -3.092 1.00 0.00 C ATOM 902 O LYS A 59 -10.571 -9.796 -3.389 1.00 0.00 O ATOM 903 CB LYS A 59 -11.773 -11.570 -5.121 1.00 0.00 C ATOM 904 CG LYS A 59 -11.554 -13.063 -4.820 1.00 0.00 C ATOM 905 CD LYS A 59 -12.748 -13.874 -5.327 1.00 0.00 C ATOM 906 CE LYS A 59 -12.486 -15.360 -5.088 1.00 0.00 C ATOM 907 NZ LYS A 59 -13.656 -16.149 -5.563 1.00 0.00 N ATOM 0 H LYS A 59 -13.400 -9.699 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.095 -11.673 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.270 -11.457 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.811 -11.064 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.638 -13.409 -5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.430 -13.213 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.657 -13.566 -4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.905 -13.687 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.584 -15.671 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.315 -15.545 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.481 -17.161 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.507 -15.857 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.799 -15.980 -6.579 1.00 0.00 H new ATOM 921 N ARG A 60 -12.297 -9.585 -1.989 1.00 0.00 N ATOM 922 CA ARG A 60 -11.535 -8.743 -1.072 1.00 0.00 C ATOM 923 C ARG A 60 -10.515 -9.549 -0.259 1.00 0.00 C ATOM 924 O ARG A 60 -9.340 -9.185 -0.190 1.00 0.00 O ATOM 925 CB ARG A 60 -12.499 -8.027 -0.123 1.00 0.00 C ATOM 926 CG ARG A 60 -11.719 -7.060 0.770 1.00 0.00 C ATOM 927 CD ARG A 60 -12.676 -6.358 1.733 1.00 0.00 C ATOM 928 NE ARG A 60 -13.587 -5.495 0.993 1.00 0.00 N ATOM 929 CZ ARG A 60 -14.684 -5.008 1.560 1.00 0.00 C ATOM 930 NH1 ARG A 60 -14.601 -4.351 2.685 1.00 0.00 N ATOM 931 NH2 ARG A 60 -15.845 -5.186 0.992 1.00 0.00 N ATOM 0 H ARG A 60 -13.259 -9.771 -1.704 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.980 -8.019 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.251 -7.483 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.030 -8.756 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.957 -7.602 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.200 -6.323 0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.242 -7.098 2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.111 -5.769 2.455 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.378 -5.261 0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.693 -4.212 3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.444 -3.977 3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.909 -5.699 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.688 -4.812 1.427 1.00 0.00 H new ATOM 945 N ARG A 61 -10.968 -10.616 0.389 1.00 0.00 N ATOM 946 CA ARG A 61 -10.070 -11.413 1.224 1.00 0.00 C ATOM 947 C ARG A 61 -8.820 -11.786 0.447 1.00 0.00 C ATOM 948 O ARG A 61 -7.698 -11.647 0.936 1.00 0.00 O ATOM 949 CB ARG A 61 -10.770 -12.702 1.642 1.00 0.00 C ATOM 950 CG ARG A 61 -12.030 -12.373 2.443 1.00 0.00 C ATOM 951 CD ARG A 61 -12.731 -13.672 2.837 1.00 0.00 C ATOM 952 NE ARG A 61 -13.103 -14.428 1.644 1.00 0.00 N ATOM 953 CZ ARG A 61 -14.227 -14.168 0.982 1.00 0.00 C ATOM 954 NH1 ARG A 61 -14.391 -13.009 0.406 1.00 0.00 N ATOM 955 NH2 ARG A 61 -15.164 -15.072 0.906 1.00 0.00 N ATOM 0 H ARG A 61 -11.932 -10.947 0.356 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.800 -10.822 2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.031 -13.287 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.096 -13.314 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.770 -11.802 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.700 -11.750 1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.073 -14.272 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.620 -13.449 3.427 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.488 -15.171 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.657 -12.303 0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.253 -12.809 -0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.035 -15.979 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.026 -14.872 0.398 1.00 0.00 H new ATOM 969 N HIS A 62 -9.031 -12.263 -0.765 1.00 0.00 N ATOM 970 CA HIS A 62 -7.934 -12.666 -1.627 1.00 0.00 C ATOM 971 C HIS A 62 -7.048 -11.475 -1.982 1.00 0.00 C ATOM 972 O HIS A 62 -5.838 -11.620 -2.147 1.00 0.00 O ATOM 973 CB HIS A 62 -8.510 -13.273 -2.904 1.00 0.00 C ATOM 974 CG HIS A 62 -9.086 -14.635 -2.609 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.444 -15.807 -2.982 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.242 -15.029 -1.978 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.211 -16.838 -2.578 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.317 -16.419 -1.959 1.00 0.00 N ATOM 0 H HIS A 62 -9.956 -12.382 -1.177 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.322 -13.398 -1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.284 -12.621 -3.310 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.731 -13.354 -3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -10.981 -14.361 -1.560 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.962 -17.877 -2.736 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.058 -16.994 -1.558 1.00 0.00 H new ATOM 986 N ASN A 63 -7.664 -10.306 -2.110 1.00 0.00 N ATOM 987 CA ASN A 63 -6.930 -9.090 -2.459 1.00 0.00 C ATOM 988 C ASN A 63 -5.899 -8.756 -1.394 1.00 0.00 C ATOM 989 O ASN A 63 -4.762 -8.398 -1.702 1.00 0.00 O ATOM 990 CB ASN A 63 -7.915 -7.922 -2.586 1.00 0.00 C ATOM 991 CG ASN A 63 -7.305 -6.786 -3.405 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.793 -7.011 -4.502 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.342 -5.566 -2.938 1.00 0.00 N ATOM 0 H ASN A 63 -8.667 -10.172 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.415 -9.256 -3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.834 -8.265 -3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.184 -7.558 -1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.947 -4.799 -3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.766 -5.380 -2.029 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.294 -8.890 -0.141 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.374 -8.606 0.946 1.00 0.00 C ATOM 1002 C PHE A 64 -4.285 -9.675 0.994 1.00 0.00 C ATOM 1003 O PHE A 64 -3.096 -9.357 1.001 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.128 -8.533 2.281 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.815 -7.187 2.417 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.094 -6.075 2.883 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.165 -7.049 2.087 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.726 -4.835 3.016 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.796 -5.802 2.220 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.074 -4.698 2.683 1.00 0.00 C ATOM 0 H PHE A 64 -7.226 -9.188 0.146 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.904 -7.638 0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.865 -9.334 2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.434 -8.681 3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.050 -6.178 3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.723 -7.901 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.170 -3.982 3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.840 -5.695 1.964 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.560 -3.739 2.783 1.00 0.00 H new ATOM 1020 N THR A 65 -4.696 -10.937 1.015 1.00 0.00 N ATOM 1021 CA THR A 65 -3.730 -12.030 1.054 1.00 0.00 C ATOM 1022 C THR A 65 -2.758 -11.892 -0.106 1.00 0.00 C ATOM 1023 O THR A 65 -1.556 -12.098 0.048 1.00 0.00 O ATOM 1024 CB THR A 65 -4.433 -13.387 0.955 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.514 -13.435 1.876 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.433 -14.503 1.273 1.00 0.00 C ATOM 0 H THR A 65 -5.674 -11.227 1.006 1.00 0.00 H new ATOM 0 HA THR A 65 -3.196 -11.979 2.003 1.00 0.00 H new ATOM 0 HB THR A 65 -4.818 -13.523 -0.055 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.290 -12.976 1.493 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.932 -15.470 1.203 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.609 -14.467 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.045 -14.367 2.283 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.297 -11.551 -1.265 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.492 -11.393 -2.465 1.00 0.00 C ATOM 1036 C LEU A 66 -1.430 -10.322 -2.272 1.00 0.00 C ATOM 1037 O LEU A 66 -0.264 -10.537 -2.579 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.415 -10.987 -3.614 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.634 -10.803 -4.923 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -2.085 -12.151 -5.408 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.590 -10.231 -5.969 1.00 0.00 C ATOM 0 H LEU A 66 -4.293 -11.378 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.990 -12.335 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.184 -11.748 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.927 -10.059 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.794 -10.127 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.533 -12.006 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.419 -12.566 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.912 -12.840 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.058 -10.091 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.419 -10.922 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.975 -9.272 -5.624 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.836 -9.165 -1.773 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.892 -8.088 -1.571 1.00 0.00 C ATOM 1055 C ALA A 67 0.189 -8.519 -0.599 1.00 0.00 C ATOM 1056 O ALA A 67 1.356 -8.158 -0.749 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.604 -6.856 -1.020 1.00 0.00 C ATOM 0 H ALA A 67 -2.797 -8.953 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.439 -7.841 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.881 -6.053 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.368 -6.531 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.072 -7.102 -0.067 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.208 -9.299 0.395 1.00 0.00 N ATOM 1064 CA PHE A 68 0.738 -9.774 1.390 1.00 0.00 C ATOM 1065 C PHE A 68 1.522 -10.980 0.869 1.00 0.00 C ATOM 1066 O PHE A 68 2.749 -10.956 0.842 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.005 -10.136 2.684 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.611 -8.884 3.308 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.212 -7.816 3.695 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.999 -8.796 3.510 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.347 -6.668 4.273 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.554 -7.646 4.093 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.728 -6.581 4.473 1.00 0.00 C ATOM 0 H PHE A 68 -1.169 -9.613 0.533 1.00 0.00 H new ATOM 0 HA PHE A 68 1.451 -8.976 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.790 -10.862 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.682 -10.606 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.280 -7.879 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.640 -9.614 3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.292 -5.847 4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.621 -7.582 4.249 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.156 -5.696 4.919 1.00 0.00 H new ATOM 1083 N SER A 69 0.822 -12.023 0.448 1.00 0.00 N ATOM 1084 CA SER A 69 1.495 -13.214 -0.063 1.00 0.00 C ATOM 1085 C SER A 69 2.380 -12.867 -1.257 1.00 0.00 C ATOM 1086 O SER A 69 3.416 -13.503 -1.482 1.00 0.00 O ATOM 1087 CB SER A 69 0.470 -14.274 -0.476 1.00 0.00 C ATOM 1088 OG SER A 69 1.097 -15.551 -0.472 1.00 0.00 O ATOM 0 H SER A 69 -0.197 -12.073 0.448 1.00 0.00 H new ATOM 0 HA SER A 69 2.121 -13.613 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.376 -14.268 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.076 -14.051 -1.468 1.00 0.00 H new ATOM 0 HG SER A 69 0.447 -16.236 -0.734 1.00 0.00 H new ATOM 1094 N THR A 70 1.993 -11.839 -2.007 1.00 0.00 N ATOM 1095 CA THR A 70 2.792 -11.421 -3.149 1.00 0.00 C ATOM 1096 C THR A 70 4.026 -10.660 -2.680 1.00 0.00 C ATOM 1097 O THR A 70 5.144 -10.943 -3.110 1.00 0.00 O ATOM 1098 CB THR A 70 1.975 -10.540 -4.098 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.847 -11.264 -4.567 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.848 -10.131 -5.285 1.00 0.00 C ATOM 0 H THR A 70 1.148 -11.291 -1.848 1.00 0.00 H new ATOM 0 HA THR A 70 3.102 -12.317 -3.687 1.00 0.00 H new ATOM 0 HB THR A 70 1.637 -9.649 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.124 -11.206 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.269 -9.504 -5.963 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.714 -9.575 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.184 -11.023 -5.814 1.00 0.00 H new ATOM 1108 N ALA A 71 3.814 -9.688 -1.793 1.00 0.00 N ATOM 1109 CA ALA A 71 4.920 -8.892 -1.276 1.00 0.00 C ATOM 1110 C ALA A 71 5.887 -9.757 -0.476 1.00 0.00 C ATOM 1111 O ALA A 71 7.083 -9.471 -0.419 1.00 0.00 O ATOM 1112 CB ALA A 71 4.394 -7.763 -0.389 1.00 0.00 C ATOM 0 H ALA A 71 2.897 -9.437 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 71 5.451 -8.466 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.232 -7.177 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.735 -7.119 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.840 -8.186 0.448 1.00 0.00 H new ATOM 1118 N GLU A 72 5.372 -10.815 0.142 1.00 0.00 N ATOM 1119 CA GLU A 72 6.218 -11.701 0.927 1.00 0.00 C ATOM 1120 C GLU A 72 7.132 -12.520 0.025 1.00 0.00 C ATOM 1121 O GLU A 72 8.348 -12.538 0.208 1.00 0.00 O ATOM 1122 CB GLU A 72 5.356 -12.640 1.780 1.00 0.00 C ATOM 1123 CG GLU A 72 4.747 -11.870 2.956 1.00 0.00 C ATOM 1124 CD GLU A 72 5.837 -11.474 3.947 1.00 0.00 C ATOM 1125 OE1 GLU A 72 6.548 -12.357 4.399 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.941 -10.294 4.243 1.00 0.00 O ATOM 0 H GLU A 72 4.386 -11.076 0.115 1.00 0.00 H new ATOM 0 HA GLU A 72 6.836 -11.086 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.564 -13.074 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.962 -13.467 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.236 -10.979 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.998 -12.486 3.455 1.00 0.00 H new ATOM 1133 N LYS A 73 6.555 -13.204 -0.950 1.00 0.00 N ATOM 1134 CA LYS A 73 7.367 -14.020 -1.840 1.00 0.00 C ATOM 1135 C LYS A 73 8.387 -13.150 -2.585 1.00 0.00 C ATOM 1136 O LYS A 73 9.515 -13.578 -2.835 1.00 0.00 O ATOM 1137 CB LYS A 73 6.475 -14.759 -2.847 1.00 0.00 C ATOM 1138 CG LYS A 73 5.592 -15.796 -2.124 1.00 0.00 C ATOM 1139 CD LYS A 73 4.747 -16.573 -3.148 1.00 0.00 C ATOM 1140 CE LYS A 73 3.873 -17.602 -2.420 1.00 0.00 C ATOM 1141 NZ LYS A 73 3.113 -18.405 -3.423 1.00 0.00 N ATOM 0 H LYS A 73 5.554 -13.213 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 73 7.905 -14.753 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.847 -14.044 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.094 -15.256 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.217 -16.486 -1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.941 -15.295 -1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.120 -15.884 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.397 -17.075 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.495 -18.257 -1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.183 -17.096 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.520 -19.103 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.509 -17.774 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.780 -18.898 -4.050 1.00 0.00 H new ATOM 1155 N LEU A 74 7.973 -11.939 -2.957 1.00 0.00 N ATOM 1156 CA LEU A 74 8.843 -11.030 -3.694 1.00 0.00 C ATOM 1157 C LEU A 74 9.903 -10.369 -2.809 1.00 0.00 C ATOM 1158 O LEU A 74 11.083 -10.381 -3.156 1.00 0.00 O ATOM 1159 CB LEU A 74 7.994 -9.944 -4.364 1.00 0.00 C ATOM 1160 CG LEU A 74 7.113 -10.558 -5.469 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.172 -9.485 -6.019 1.00 0.00 C ATOM 1162 CD2 LEU A 74 7.989 -11.111 -6.611 1.00 0.00 C ATOM 0 H LEU A 74 7.044 -11.568 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 74 9.371 -11.626 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.366 -9.453 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.642 -9.178 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 74 6.533 -11.378 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.547 -9.916 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.539 -9.109 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.758 -8.665 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.351 -11.541 -7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.582 -10.303 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.654 -11.881 -6.219 1.00 0.00 H new ATOM 1174 N ALA A 75 9.495 -9.765 -1.687 1.00 0.00 N ATOM 1175 CA ALA A 75 10.457 -9.075 -0.807 1.00 0.00 C ATOM 1176 C ALA A 75 10.404 -9.570 0.637 1.00 0.00 C ATOM 1177 O ALA A 75 11.013 -8.959 1.516 1.00 0.00 O ATOM 1178 CB ALA A 75 10.180 -7.572 -0.836 1.00 0.00 C ATOM 0 H ALA A 75 8.527 -9.737 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 75 11.455 -9.295 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.889 -7.059 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.288 -7.202 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.165 -7.382 -0.487 1.00 0.00 H new ATOM 1184 N ASP A 76 9.706 -10.671 0.896 1.00 0.00 N ATOM 1185 CA ASP A 76 9.644 -11.188 2.262 1.00 0.00 C ATOM 1186 C ASP A 76 9.352 -10.049 3.238 1.00 0.00 C ATOM 1187 O ASP A 76 9.916 -9.987 4.330 1.00 0.00 O ATOM 1188 CB ASP A 76 10.976 -11.847 2.609 1.00 0.00 C ATOM 1189 CG ASP A 76 10.834 -12.691 3.868 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.039 -13.618 3.850 1.00 0.00 O ATOM 1191 OD2 ASP A 76 11.521 -12.400 4.831 1.00 0.00 O ATOM 0 H ASP A 76 9.189 -11.211 0.202 1.00 0.00 H new ATOM 0 HA ASP A 76 8.844 -11.925 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.308 -12.471 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.739 -11.084 2.759 1.00 0.00 H new ATOM 1196 N CYS A 77 8.482 -9.145 2.805 1.00 0.00 N ATOM 1197 CA CYS A 77 8.105 -7.975 3.595 1.00 0.00 C ATOM 1198 C CYS A 77 7.701 -8.340 5.027 1.00 0.00 C ATOM 1199 O CYS A 77 7.960 -9.444 5.506 1.00 0.00 O ATOM 1200 CB CYS A 77 6.940 -7.261 2.906 1.00 0.00 C ATOM 1201 SG CYS A 77 7.419 -6.811 1.220 1.00 0.00 S ATOM 0 H CYS A 77 8.018 -9.200 1.899 1.00 0.00 H new ATOM 0 HA CYS A 77 8.977 -7.324 3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.064 -7.909 2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.664 -6.368 3.467 1.00 0.00 H new ATOM 0 HG CYS A 77 7.318 -7.852 0.448 1.00 0.00 H new ATOM 1207 N ALA A 78 7.054 -7.383 5.691 1.00 0.00 N ATOM 1208 CA ALA A 78 6.589 -7.564 7.066 1.00 0.00 C ATOM 1209 C ALA A 78 5.193 -8.187 7.077 1.00 0.00 C ATOM 1210 O ALA A 78 4.559 -8.316 6.031 1.00 0.00 O ATOM 1211 CB ALA A 78 6.563 -6.209 7.785 1.00 0.00 C ATOM 0 H ALA A 78 6.839 -6.468 5.295 1.00 0.00 H new ATOM 0 HA ALA A 78 7.274 -8.235 7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.216 -6.347 8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.567 -5.784 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.888 -5.532 7.261 1.00 0.00 H new ATOM 1217 N GLN A 79 4.713 -8.572 8.264 1.00 0.00 N ATOM 1218 CA GLN A 79 3.395 -9.171 8.407 1.00 0.00 C ATOM 1219 C GLN A 79 2.647 -8.505 9.562 1.00 0.00 C ATOM 1220 O GLN A 79 2.002 -9.171 10.371 1.00 0.00 O ATOM 1221 CB GLN A 79 3.557 -10.666 8.701 1.00 0.00 C ATOM 1222 CG GLN A 79 2.243 -11.379 8.415 1.00 0.00 C ATOM 1223 CD GLN A 79 2.372 -12.870 8.708 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.483 -13.386 8.810 1.00 0.00 O ATOM 1225 NE2 GLN A 79 1.295 -13.592 8.861 1.00 0.00 N ATOM 0 H GLN A 79 5.226 -8.476 9.140 1.00 0.00 H new ATOM 0 HA GLN A 79 2.828 -9.032 7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.353 -11.085 8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.846 -10.815 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.449 -10.949 9.025 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.960 -11.230 7.373 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.375 -13.160 8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.374 -14.588 9.066 1.00 0.00 H new ATOM 1234 N LEU A 80 2.758 -7.187 9.648 1.00 0.00 N ATOM 1235 CA LEU A 80 2.111 -6.442 10.725 1.00 0.00 C ATOM 1236 C LEU A 80 0.584 -6.514 10.617 1.00 0.00 C ATOM 1237 O LEU A 80 -0.120 -6.322 11.607 1.00 0.00 O ATOM 1238 CB LEU A 80 2.526 -4.966 10.679 1.00 0.00 C ATOM 1239 CG LEU A 80 4.038 -4.823 10.488 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.396 -3.339 10.528 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.789 -5.546 11.604 1.00 0.00 C ATOM 0 H LEU A 80 3.286 -6.612 8.991 1.00 0.00 H new ATOM 0 HA LEU A 80 2.428 -6.896 11.664 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.005 -4.464 9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.225 -4.472 11.603 1.00 0.00 H new ATOM 0 HG LEU A 80 4.322 -5.262 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.471 -3.220 10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.870 -2.816 9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.103 -2.920 11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.863 -5.434 11.452 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.512 -5.116 12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.529 -6.605 11.591 1.00 0.00 H new ATOM 1253 N LEU A 81 0.067 -6.772 9.409 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.399 -6.840 9.190 1.00 0.00 C ATOM 1255 C LEU A 81 -1.850 -8.231 8.744 1.00 0.00 C ATOM 1256 O LEU A 81 -1.185 -8.891 7.948 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.835 -5.821 8.114 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.963 -4.568 8.180 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.316 -3.640 7.019 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.221 -3.841 9.495 1.00 0.00 C ATOM 0 H LEU A 81 0.627 -6.936 8.572 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.866 -6.607 10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.759 -6.273 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.881 -5.552 8.262 1.00 0.00 H new ATOM 0 HG LEU A 81 0.087 -4.854 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.694 -2.746 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.140 -4.155 6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.366 -3.356 7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.600 -2.947 9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.272 -3.557 9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.976 -4.499 10.329 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.013 -8.642 9.252 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.603 -9.935 8.906 1.00 0.00 C ATOM 1274 C GLU A 82 -4.844 -9.738 8.047 1.00 0.00 C ATOM 1275 O GLU A 82 -5.701 -8.909 8.353 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.965 -10.687 10.181 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.682 -11.098 10.903 1.00 0.00 C ATOM 1278 CD GLU A 82 -1.950 -12.169 10.101 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.596 -12.823 9.300 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -0.755 -12.321 10.299 1.00 0.00 O ATOM 0 H GLU A 82 -3.568 -8.093 9.909 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.877 -10.516 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.575 -10.057 10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.560 -11.568 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.037 -10.230 11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.920 -11.476 11.897 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.927 -10.509 6.971 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.047 -10.430 6.046 1.00 0.00 C ATOM 1289 C VAL A 83 -7.383 -10.441 6.783 1.00 0.00 C ATOM 1290 O VAL A 83 -8.238 -9.585 6.558 1.00 0.00 O ATOM 1291 CB VAL A 83 -5.968 -11.641 5.110 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.232 -11.730 4.242 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.705 -11.533 4.237 1.00 0.00 C ATOM 0 H VAL A 83 -4.224 -11.203 6.717 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.988 -9.495 5.488 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.907 -12.553 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.161 -12.595 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.107 -11.834 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.327 -10.824 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.648 -12.394 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.749 -10.619 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.822 -11.510 4.876 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.565 -11.433 7.638 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.813 -11.576 8.375 1.00 0.00 C ATOM 1305 C ASP A 84 -9.134 -10.311 9.161 1.00 0.00 C ATOM 1306 O ASP A 84 -10.270 -9.842 9.155 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.699 -12.758 9.335 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.665 -14.061 8.543 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.018 -14.031 7.375 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.280 -15.069 9.114 1.00 0.00 O ATOM 0 H ASP A 84 -6.868 -12.150 7.840 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.619 -11.749 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.796 -12.664 9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.543 -12.762 10.024 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.133 -9.761 9.837 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.338 -8.554 10.620 1.00 0.00 C ATOM 1317 C ASP A 85 -8.779 -7.410 9.720 1.00 0.00 C ATOM 1318 O ASP A 85 -9.706 -6.670 10.046 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.036 -8.176 11.327 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.757 -9.151 12.465 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.664 -9.880 12.830 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.641 -9.154 12.955 1.00 0.00 O ATOM 0 H ASP A 85 -7.182 -10.128 9.858 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.116 -8.741 11.360 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.210 -8.189 10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.106 -7.160 11.717 1.00 0.00 H new ATOM 1327 N MET A 86 -8.115 -7.280 8.584 1.00 0.00 N ATOM 1328 CA MET A 86 -8.451 -6.225 7.639 1.00 0.00 C ATOM 1329 C MET A 86 -9.881 -6.409 7.155 1.00 0.00 C ATOM 1330 O MET A 86 -10.652 -5.456 7.052 1.00 0.00 O ATOM 1331 CB MET A 86 -7.512 -6.302 6.432 1.00 0.00 C ATOM 1332 CG MET A 86 -6.047 -6.078 6.873 1.00 0.00 C ATOM 1333 SD MET A 86 -5.174 -5.111 5.621 1.00 0.00 S ATOM 1334 CE MET A 86 -5.663 -3.479 6.231 1.00 0.00 C ATOM 0 H MET A 86 -7.347 -7.885 8.294 1.00 0.00 H new ATOM 0 HA MET A 86 -8.347 -5.259 8.132 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.609 -7.275 5.950 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.795 -5.551 5.694 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.021 -5.558 7.831 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.550 -7.037 7.017 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.837 -2.812 5.387 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.578 -3.569 6.817 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.869 -3.072 6.857 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.217 -7.656 6.873 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.545 -8.003 6.402 1.00 0.00 C ATOM 1346 C VAL A 87 -12.594 -7.729 7.471 1.00 0.00 C ATOM 1347 O VAL A 87 -13.661 -7.184 7.182 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.564 -9.487 6.018 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.996 -9.921 5.674 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.646 -9.705 4.804 1.00 0.00 C ATOM 0 H VAL A 87 -9.583 -8.450 6.963 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.784 -7.389 5.534 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.209 -10.085 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.001 -10.977 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.641 -9.766 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.364 -9.329 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.655 -10.759 4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.002 -9.105 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.629 -9.406 5.058 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.293 -8.113 8.706 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.220 -7.915 9.812 1.00 0.00 C ATOM 1362 C ARG A 88 -13.324 -6.445 10.200 1.00 0.00 C ATOM 1363 O ARG A 88 -14.422 -5.911 10.361 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.729 -8.720 11.019 1.00 0.00 C ATOM 1365 CG ARG A 88 -12.922 -10.211 10.738 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.341 -11.034 11.890 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.051 -10.729 13.127 1.00 0.00 N ATOM 1368 CZ ARG A 88 -14.199 -11.327 13.428 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -14.333 -12.614 13.253 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -15.194 -10.625 13.893 1.00 0.00 N ATOM 0 H ARG A 88 -11.415 -8.563 8.966 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.208 -8.252 9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.677 -8.507 11.211 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.281 -8.431 11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.982 -10.434 10.618 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.432 -10.481 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.424 -12.098 11.666 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.280 -10.814 12.006 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.659 -10.044 13.773 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.556 -13.162 12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.215 -13.071 13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.091 -9.619 14.025 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.076 -11.082 14.125 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.179 -5.796 10.352 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.166 -4.392 10.726 1.00 0.00 C ATOM 1386 C LEU A 89 -12.766 -3.536 9.618 1.00 0.00 C ATOM 1387 O LEU A 89 -13.613 -2.675 9.867 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.720 -3.943 10.988 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.178 -4.590 12.275 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.651 -4.436 12.317 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.785 -3.909 13.515 1.00 0.00 C ATOM 0 H LEU A 89 -11.258 -6.214 10.224 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.763 -4.268 11.629 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.089 -4.218 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.681 -2.857 11.076 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.450 -5.646 12.279 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.264 -4.893 13.228 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.212 -4.928 11.449 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.392 -3.377 12.304 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.392 -4.378 14.417 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.524 -2.851 13.513 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.870 -4.015 13.494 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.276 -3.750 8.404 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.724 -2.958 7.268 1.00 0.00 C ATOM 1405 C ALA A 90 -12.394 -1.500 7.569 1.00 0.00 C ATOM 1406 O ALA A 90 -13.054 -0.579 7.091 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.232 -3.138 7.044 1.00 0.00 C ATOM 0 H ALA A 90 -11.576 -4.458 8.182 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.222 -3.281 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.547 -2.538 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.448 -4.188 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.773 -2.816 7.934 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.344 -1.339 8.375 1.00 0.00 N ATOM 1414 CA VAL A 91 -10.852 -0.032 8.801 1.00 0.00 C ATOM 1415 C VAL A 91 -9.428 -0.180 9.361 1.00 0.00 C ATOM 1416 O VAL A 91 -9.263 -0.490 10.541 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.766 0.544 9.900 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.113 1.790 10.520 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.128 0.934 9.304 1.00 0.00 C ATOM 0 H VAL A 91 -10.808 -2.120 8.753 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.848 0.642 7.944 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.911 -0.216 10.668 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.763 2.193 11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.152 1.518 10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.960 2.543 9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.766 1.340 10.089 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.984 1.686 8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.601 0.053 8.871 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.404 0.028 8.564 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.002 -0.093 9.044 1.00 0.00 C ATOM 1431 C PRO A 92 -6.624 1.065 9.961 1.00 0.00 C ATOM 1432 O PRO A 92 -7.422 1.975 10.192 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.138 -0.104 7.759 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.090 -0.006 6.598 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.462 0.400 7.147 1.00 0.00 C ATOM 0 HA PRO A 92 -6.854 -0.994 9.640 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.437 0.731 7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.546 -1.017 7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.736 0.729 5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.155 -0.961 6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.641 1.468 7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.268 -0.121 6.631 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.397 1.026 10.470 1.00 0.00 N ATOM 1444 CA ASP A 93 -4.903 2.083 11.354 1.00 0.00 C ATOM 1445 C ASP A 93 -3.848 2.924 10.636 1.00 0.00 C ATOM 1446 O ASP A 93 -2.928 2.404 10.013 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.330 1.455 12.644 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.247 1.755 13.828 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.434 1.508 13.706 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -4.751 2.252 14.827 1.00 0.00 O ATOM 0 H ASP A 93 -4.727 0.279 10.288 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.728 2.742 11.626 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.227 0.377 12.518 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.333 1.850 12.838 1.00 0.00 H new ATOM 1455 N SER A 94 -4.011 4.230 10.728 1.00 0.00 N ATOM 1456 CA SER A 94 -3.091 5.157 10.078 1.00 0.00 C ATOM 1457 C SER A 94 -1.648 4.819 10.421 1.00 0.00 C ATOM 1458 O SER A 94 -0.757 4.917 9.575 1.00 0.00 O ATOM 1459 CB SER A 94 -3.392 6.586 10.523 1.00 0.00 C ATOM 1460 OG SER A 94 -3.251 6.677 11.934 1.00 0.00 O ATOM 0 H SER A 94 -4.769 4.677 11.244 1.00 0.00 H new ATOM 0 HA SER A 94 -3.226 5.069 9.000 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.713 7.283 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.403 6.866 10.228 1.00 0.00 H new ATOM 0 HG SER A 94 -3.442 7.594 12.223 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.425 4.404 11.659 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.087 4.037 12.090 1.00 0.00 C ATOM 1468 C LYS A 95 0.276 2.656 11.576 1.00 0.00 C ATOM 1469 O LYS A 95 1.442 2.359 11.334 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.011 4.041 13.615 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.058 3.084 14.191 1.00 0.00 C ATOM 1472 CD LYS A 95 -0.915 3.018 15.716 1.00 0.00 C ATOM 1473 CE LYS A 95 -1.508 4.275 16.359 1.00 0.00 C ATOM 1474 NZ LYS A 95 -1.670 4.051 17.822 1.00 0.00 N ATOM 0 H LYS A 95 -2.146 4.314 12.375 1.00 0.00 H new ATOM 0 HA LYS A 95 0.616 4.765 11.686 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.986 3.741 13.939 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.180 5.049 13.994 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.059 3.422 13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.932 2.090 13.761 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.422 2.132 16.098 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.137 2.925 15.986 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.856 5.130 16.181 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.472 4.509 15.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.073 4.903 18.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.308 3.245 17.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.743 3.848 18.247 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.735 1.810 11.409 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.505 0.450 10.924 1.00 0.00 C ATOM 1490 C CYS A 96 -0.006 0.478 9.486 1.00 0.00 C ATOM 1491 O CYS A 96 1.029 -0.105 9.163 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.806 -0.364 11.006 1.00 0.00 C ATOM 1493 SG CYS A 96 -1.970 -1.087 12.653 1.00 0.00 S ATOM 0 H CYS A 96 -1.711 2.036 11.599 1.00 0.00 H new ATOM 0 HA CYS A 96 0.253 -0.020 11.551 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.661 0.277 10.793 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.802 -1.151 10.252 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.073 -1.772 12.718 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.751 1.166 8.628 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.380 1.278 7.227 1.00 0.00 C ATOM 1501 C VAL A 97 0.966 1.958 7.132 1.00 0.00 C ATOM 1502 O VAL A 97 1.844 1.531 6.389 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.417 2.118 6.476 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.986 2.287 5.019 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.783 1.434 6.540 1.00 0.00 C ATOM 0 H VAL A 97 -1.612 1.652 8.879 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.335 0.283 6.784 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.490 3.100 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.726 2.885 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.019 2.789 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.905 1.308 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.517 2.036 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.718 0.448 6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.089 1.330 7.581 1.00 0.00 H new ATOM 1515 N TYR A 98 1.121 3.023 7.900 1.00 0.00 N ATOM 1516 CA TYR A 98 2.362 3.769 7.902 1.00 0.00 C ATOM 1517 C TYR A 98 3.514 2.864 8.293 1.00 0.00 C ATOM 1518 O TYR A 98 4.525 2.801 7.601 1.00 0.00 O ATOM 1519 CB TYR A 98 2.260 4.917 8.909 1.00 0.00 C ATOM 1520 CG TYR A 98 3.584 5.629 9.007 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.620 5.078 9.774 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.781 6.838 8.332 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.851 5.734 9.859 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.014 7.496 8.423 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.049 6.942 9.184 1.00 0.00 C ATOM 1526 OH TYR A 98 7.267 7.586 9.265 1.00 0.00 O ATOM 0 H TYR A 98 0.404 3.387 8.527 1.00 0.00 H new ATOM 0 HA TYR A 98 2.541 4.165 6.902 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.483 5.616 8.600 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.971 4.531 9.887 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.467 4.147 10.299 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.983 7.264 7.741 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.650 5.307 10.447 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.166 8.432 7.905 1.00 0.00 H new ATOM 0 HH TYR A 98 7.237 8.411 8.737 1.00 0.00 H new ATOM 1536 N THR A 99 3.348 2.160 9.404 1.00 0.00 N ATOM 1537 CA THR A 99 4.388 1.264 9.876 1.00 0.00 C ATOM 1538 C THR A 99 4.705 0.221 8.817 1.00 0.00 C ATOM 1539 O THR A 99 5.870 -0.076 8.557 1.00 0.00 O ATOM 1540 CB THR A 99 3.944 0.566 11.165 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.503 1.540 12.103 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.116 -0.218 11.755 1.00 0.00 C ATOM 0 H THR A 99 2.512 2.192 9.988 1.00 0.00 H new ATOM 0 HA THR A 99 5.283 1.853 10.078 1.00 0.00 H new ATOM 0 HB THR A 99 3.127 -0.121 10.942 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.528 1.627 12.050 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.797 -0.714 12.672 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.452 -0.966 11.036 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.935 0.465 11.978 1.00 0.00 H new ATOM 1550 N TYR A 100 3.667 -0.331 8.203 1.00 0.00 N ATOM 1551 CA TYR A 100 3.845 -1.336 7.164 1.00 0.00 C ATOM 1552 C TYR A 100 4.628 -0.752 5.995 1.00 0.00 C ATOM 1553 O TYR A 100 5.618 -1.325 5.536 1.00 0.00 O ATOM 1554 CB TYR A 100 2.472 -1.764 6.663 1.00 0.00 C ATOM 1555 CG TYR A 100 2.621 -2.971 5.778 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.821 -2.810 4.405 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.551 -4.251 6.333 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.953 -3.936 3.583 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.683 -5.376 5.514 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.883 -5.219 4.138 1.00 0.00 C ATOM 1561 OH TYR A 100 3.015 -6.328 3.329 1.00 0.00 O ATOM 0 H TYR A 100 2.694 -0.100 8.406 1.00 0.00 H new ATOM 0 HA TYR A 100 4.391 -2.185 7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.820 -1.995 7.506 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.003 -0.949 6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.874 -1.819 3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.395 -4.371 7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.109 -3.814 2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.631 -6.366 5.943 1.00 0.00 H new ATOM 0 HH TYR A 100 3.183 -7.119 3.883 1.00 0.00 H new ATOM 1571 N ILE A 101 4.163 0.403 5.533 1.00 0.00 N ATOM 1572 CA ILE A 101 4.799 1.101 4.427 1.00 0.00 C ATOM 1573 C ILE A 101 6.227 1.459 4.817 1.00 0.00 C ATOM 1574 O ILE A 101 7.152 1.350 4.015 1.00 0.00 O ATOM 1575 CB ILE A 101 4.004 2.373 4.081 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.642 2.004 3.446 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.803 3.264 3.127 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.817 1.218 2.136 1.00 0.00 C ATOM 0 H ILE A 101 3.343 0.876 5.911 1.00 0.00 H new ATOM 0 HA ILE A 101 4.817 0.456 3.549 1.00 0.00 H new ATOM 0 HB ILE A 101 3.823 2.924 5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.061 1.410 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.074 2.913 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.225 4.158 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.742 3.552 3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.012 2.717 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.838 0.978 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.375 1.822 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.362 0.296 2.335 1.00 0.00 H new ATOM 1590 N GLN A 102 6.386 1.887 6.060 1.00 0.00 N ATOM 1591 CA GLN A 102 7.694 2.267 6.579 1.00 0.00 C ATOM 1592 C GLN A 102 8.716 1.170 6.322 1.00 0.00 C ATOM 1593 O GLN A 102 9.720 1.379 5.637 1.00 0.00 O ATOM 1594 CB GLN A 102 7.604 2.494 8.090 1.00 0.00 C ATOM 1595 CG GLN A 102 8.821 3.291 8.560 1.00 0.00 C ATOM 1596 CD GLN A 102 8.766 3.490 10.070 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.734 3.244 10.694 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.823 3.932 10.698 1.00 0.00 N ATOM 0 H GLN A 102 5.624 1.981 6.731 1.00 0.00 H new ATOM 0 HA GLN A 102 8.006 3.180 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.688 3.032 8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.560 1.537 8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.737 2.766 8.288 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.847 4.259 8.059 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.677 4.135 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.794 4.074 11.708 1.00 0.00 H new ATOM 1607 N GLU A 103 8.463 0.001 6.901 1.00 0.00 N ATOM 1608 CA GLU A 103 9.380 -1.114 6.748 1.00 0.00 C ATOM 1609 C GLU A 103 9.522 -1.466 5.275 1.00 0.00 C ATOM 1610 O GLU A 103 10.628 -1.661 4.768 1.00 0.00 O ATOM 1611 CB GLU A 103 8.862 -2.318 7.533 1.00 0.00 C ATOM 1612 CG GLU A 103 8.956 -2.032 9.035 1.00 0.00 C ATOM 1613 CD GLU A 103 8.335 -3.179 9.826 1.00 0.00 C ATOM 1614 OE1 GLU A 103 7.855 -4.108 9.204 1.00 0.00 O ATOM 1615 OE2 GLU A 103 8.348 -3.111 11.043 1.00 0.00 O ATOM 0 H GLU A 103 7.641 -0.194 7.472 1.00 0.00 H new ATOM 0 HA GLU A 103 10.359 -0.834 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.829 -2.528 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.445 -3.205 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.999 -1.903 9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.443 -1.099 9.268 1.00 0.00 H new ATOM 1622 N LEU A 104 8.390 -1.545 4.593 1.00 0.00 N ATOM 1623 CA LEU A 104 8.374 -1.878 3.177 1.00 0.00 C ATOM 1624 C LEU A 104 9.158 -0.850 2.375 1.00 0.00 C ATOM 1625 O LEU A 104 9.965 -1.200 1.515 1.00 0.00 O ATOM 1626 CB LEU A 104 6.922 -1.859 2.710 1.00 0.00 C ATOM 1627 CG LEU A 104 6.801 -2.279 1.237 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.130 -3.770 1.078 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.367 -2.016 0.767 1.00 0.00 C ATOM 0 H LEU A 104 7.468 -1.383 4.998 1.00 0.00 H new ATOM 0 HA LEU A 104 8.828 -2.857 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.330 -2.531 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.510 -0.858 2.840 1.00 0.00 H new ATOM 0 HG LEU A 104 7.505 -1.703 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.040 -4.053 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.149 -3.956 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.435 -4.362 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.267 -2.310 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.673 -2.596 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.140 -0.955 0.869 1.00 0.00 H new ATOM 1641 N TYR A 105 8.912 0.421 2.667 1.00 0.00 N ATOM 1642 CA TYR A 105 9.583 1.503 1.969 1.00 0.00 C ATOM 1643 C TYR A 105 11.076 1.281 2.013 1.00 0.00 C ATOM 1644 O TYR A 105 11.781 1.430 1.014 1.00 0.00 O ATOM 1645 CB TYR A 105 9.252 2.818 2.669 1.00 0.00 C ATOM 1646 CG TYR A 105 9.942 3.963 1.974 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.377 4.522 0.823 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.142 4.471 2.484 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.012 5.588 0.180 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.778 5.538 1.840 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.212 6.096 0.689 1.00 0.00 C ATOM 1652 OH TYR A 105 11.838 7.149 0.053 1.00 0.00 O ATOM 0 H TYR A 105 8.252 0.725 3.383 1.00 0.00 H new ATOM 0 HA TYR A 105 9.251 1.536 0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.174 2.978 2.668 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.566 2.773 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.450 4.130 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.577 4.040 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.577 6.019 -0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.705 5.930 2.231 1.00 0.00 H new ATOM 0 HH TYR A 105 12.659 7.381 0.535 1.00 0.00 H new ATOM 1662 N ARG A 106 11.548 0.951 3.195 1.00 0.00 N ATOM 1663 CA ARG A 106 12.961 0.729 3.407 1.00 0.00 C ATOM 1664 C ARG A 106 13.459 -0.446 2.579 1.00 0.00 C ATOM 1665 O ARG A 106 14.563 -0.403 2.042 1.00 0.00 O ATOM 1666 CB ARG A 106 13.200 0.498 4.894 1.00 0.00 C ATOM 1667 CG ARG A 106 12.960 1.821 5.627 1.00 0.00 C ATOM 1668 CD ARG A 106 13.182 1.638 7.125 1.00 0.00 C ATOM 1669 NE ARG A 106 14.590 1.338 7.388 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.956 0.208 7.979 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.703 0.031 9.245 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.550 -0.724 7.290 1.00 0.00 N ATOM 0 H ARG A 106 10.971 0.830 4.027 1.00 0.00 H new ATOM 0 HA ARG A 106 13.522 1.606 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.529 -0.273 5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.218 0.147 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.634 2.586 5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.944 2.169 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.888 2.542 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.553 0.830 7.498 1.00 0.00 H new ATOM 0 HE ARG A 106 15.304 2.011 7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.226 0.759 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.982 -0.836 9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.734 -0.585 6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.832 -1.593 7.744 1.00 0.00 H new ATOM 1686 N SER A 107 12.644 -1.487 2.456 1.00 0.00 N ATOM 1687 CA SER A 107 13.042 -2.641 1.657 1.00 0.00 C ATOM 1688 C SER A 107 13.296 -2.208 0.208 1.00 0.00 C ATOM 1689 O SER A 107 14.218 -2.695 -0.446 1.00 0.00 O ATOM 1690 CB SER A 107 11.958 -3.720 1.692 1.00 0.00 C ATOM 1691 OG SER A 107 11.655 -4.038 3.044 1.00 0.00 O ATOM 0 H SER A 107 11.723 -1.557 2.889 1.00 0.00 H new ATOM 0 HA SER A 107 13.959 -3.055 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.062 -3.369 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.298 -4.611 1.164 1.00 0.00 H new ATOM 0 HG SER A 107 10.959 -4.728 3.070 1.00 0.00 H new ATOM 1697 N LEU A 108 12.465 -1.293 -0.288 1.00 0.00 N ATOM 1698 CA LEU A 108 12.610 -0.793 -1.653 1.00 0.00 C ATOM 1699 C LEU A 108 13.849 0.087 -1.788 1.00 0.00 C ATOM 1700 O LEU A 108 14.521 0.078 -2.819 1.00 0.00 O ATOM 1701 CB LEU A 108 11.393 0.040 -2.058 1.00 0.00 C ATOM 1702 CG LEU A 108 10.091 -0.718 -1.781 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.907 0.230 -1.987 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.958 -1.905 -2.736 1.00 0.00 C ATOM 0 H LEU A 108 11.688 -0.885 0.232 1.00 0.00 H new ATOM 0 HA LEU A 108 12.703 -1.664 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.393 0.982 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.455 0.289 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 108 10.102 -1.087 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.976 -0.303 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.993 1.074 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.907 0.595 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.029 -2.436 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.949 -1.545 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.801 -2.581 -2.595 1.00 0.00 H new ATOM 1716 N VAL A 109 14.117 0.886 -0.756 1.00 0.00 N ATOM 1717 CA VAL A 109 15.247 1.800 -0.793 1.00 0.00 C ATOM 1718 C VAL A 109 16.558 1.033 -0.884 1.00 0.00 C ATOM 1719 O VAL A 109 17.400 1.333 -1.729 1.00 0.00 O ATOM 1720 CB VAL A 109 15.228 2.684 0.457 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.523 3.489 0.546 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.040 3.646 0.374 1.00 0.00 C ATOM 0 H VAL A 109 13.571 0.916 0.105 1.00 0.00 H new ATOM 0 HA VAL A 109 15.165 2.429 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 109 15.136 2.054 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.502 4.115 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.372 2.808 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.621 4.119 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.021 4.278 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.139 4.270 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.113 3.075 0.315 1.00 0.00 H new ATOM 1732 N GLN A 110 16.721 0.034 -0.027 1.00 0.00 N ATOM 1733 CA GLN A 110 17.934 -0.765 -0.051 1.00 0.00 C ATOM 1734 C GLN A 110 18.031 -1.492 -1.379 1.00 0.00 C ATOM 1735 O GLN A 110 19.106 -1.576 -1.978 1.00 0.00 O ATOM 1736 CB GLN A 110 17.941 -1.779 1.103 1.00 0.00 C ATOM 1737 CG GLN A 110 16.700 -2.680 1.031 1.00 0.00 C ATOM 1738 CD GLN A 110 16.636 -3.621 2.232 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.343 -3.420 3.218 1.00 0.00 O ATOM 1740 NE2 GLN A 110 15.817 -4.643 2.209 1.00 0.00 N ATOM 0 H GLN A 110 16.040 -0.238 0.682 1.00 0.00 H new ATOM 0 HA GLN A 110 18.793 -0.105 0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.844 -2.388 1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.962 -1.253 2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.801 -2.065 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.722 -3.262 0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.231 -4.809 1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 110 15.765 -5.273 3.009 1.00 0.00 H new ATOM 1749 N LYS A 111 16.900 -2.015 -1.834 1.00 0.00 N ATOM 1750 CA LYS A 111 16.850 -2.737 -3.091 1.00 0.00 C ATOM 1751 C LYS A 111 17.272 -1.827 -4.240 1.00 0.00 C ATOM 1752 O LYS A 111 17.767 -2.298 -5.263 1.00 0.00 O ATOM 1753 CB LYS A 111 15.430 -3.273 -3.336 1.00 0.00 C ATOM 1754 CG LYS A 111 15.464 -4.409 -4.380 1.00 0.00 C ATOM 1755 CD LYS A 111 15.746 -5.761 -3.690 1.00 0.00 C ATOM 1756 CE LYS A 111 14.428 -6.396 -3.225 1.00 0.00 C ATOM 1757 NZ LYS A 111 13.735 -7.015 -4.391 1.00 0.00 N ATOM 0 H LYS A 111 16.006 -1.951 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 111 17.541 -3.578 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.005 -3.640 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.784 -2.467 -3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.512 -4.454 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.234 -4.205 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.259 -6.431 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.409 -5.613 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.624 -7.150 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.789 -5.640 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.988 -7.654 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.312 -6.269 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.421 -7.554 -4.957 1.00 0.00 H new ATOM 1771 N GLY A 112 17.052 -0.523 -4.073 1.00 0.00 N ATOM 1772 CA GLY A 112 17.395 0.444 -5.115 1.00 0.00 C ATOM 1773 C GLY A 112 16.240 0.574 -6.091 1.00 0.00 C ATOM 1774 O GLY A 112 16.387 1.084 -7.203 1.00 0.00 O ATOM 0 H GLY A 112 16.641 -0.115 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.616 1.413 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.294 0.123 -5.641 1.00 0.00 H new ATOM 1778 N LEU A 113 15.084 0.106 -5.639 1.00 0.00 N ATOM 1779 CA LEU A 113 13.863 0.153 -6.430 1.00 0.00 C ATOM 1780 C LEU A 113 13.308 1.579 -6.499 1.00 0.00 C ATOM 1781 O LEU A 113 13.106 2.123 -7.583 1.00 0.00 O ATOM 1782 CB LEU A 113 12.826 -0.778 -5.771 1.00 0.00 C ATOM 1783 CG LEU A 113 12.931 -2.200 -6.345 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.235 -3.181 -5.393 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.250 -2.264 -7.736 1.00 0.00 C ATOM 0 H LEU A 113 14.967 -0.315 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 113 14.079 -0.171 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.985 -0.803 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.822 -0.387 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 113 13.982 -2.467 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.307 -4.191 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.718 -3.144 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.186 -2.905 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.330 -3.276 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.198 -1.994 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.742 -1.567 -8.414 1.00 0.00 H new ATOM 1797 N VAL A 114 13.070 2.168 -5.332 1.00 0.00 N ATOM 1798 CA VAL A 114 12.537 3.528 -5.260 1.00 0.00 C ATOM 1799 C VAL A 114 13.546 4.556 -5.784 1.00 0.00 C ATOM 1800 O VAL A 114 13.170 5.517 -6.456 1.00 0.00 O ATOM 1801 CB VAL A 114 12.101 3.841 -3.809 1.00 0.00 C ATOM 1802 CG1 VAL A 114 11.948 5.356 -3.596 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.746 3.156 -3.518 1.00 0.00 C ATOM 0 H VAL A 114 13.236 1.730 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 114 11.662 3.595 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 114 12.869 3.465 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.641 5.550 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.901 5.849 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.193 5.745 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.439 3.377 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.993 3.530 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.849 2.078 -3.641 1.00 0.00 H new ATOM 1813 N LYS A 115 14.816 4.342 -5.479 1.00 0.00 N ATOM 1814 CA LYS A 115 15.869 5.256 -5.928 1.00 0.00 C ATOM 1815 C LYS A 115 16.175 5.034 -7.413 1.00 0.00 C ATOM 1816 O LYS A 115 17.229 4.503 -7.766 1.00 0.00 O ATOM 1817 CB LYS A 115 17.140 5.039 -5.095 1.00 0.00 C ATOM 1818 CG LYS A 115 16.858 5.388 -3.627 1.00 0.00 C ATOM 1819 CD LYS A 115 18.177 5.531 -2.852 1.00 0.00 C ATOM 1820 CE LYS A 115 18.874 4.172 -2.725 1.00 0.00 C ATOM 1821 NZ LYS A 115 20.034 4.290 -1.792 1.00 0.00 N ATOM 0 H LYS A 115 15.147 3.551 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 115 15.521 6.280 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.468 4.003 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.949 5.661 -5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.291 6.317 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.243 4.611 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.832 6.236 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.981 5.940 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.172 3.425 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.214 3.833 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 20.506 3.367 -1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.708 4.991 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.697 4.594 -0.856 1.00 0.00 H new ATOM 1835 N THR A 116 15.238 5.441 -8.273 1.00 0.00 N ATOM 1836 CA THR A 116 15.408 5.285 -9.715 1.00 0.00 C ATOM 1837 C THR A 116 16.464 6.239 -10.260 1.00 0.00 C ATOM 1838 O THR A 116 17.359 5.830 -10.995 1.00 0.00 O ATOM 1839 CB THR A 116 14.073 5.527 -10.424 1.00 0.00 C ATOM 1840 OG1 THR A 116 13.117 4.581 -9.968 1.00 0.00 O ATOM 1841 CG2 THR A 116 14.256 5.383 -11.936 1.00 0.00 C ATOM 0 H THR A 116 14.359 5.878 -7.995 1.00 0.00 H new ATOM 0 HA THR A 116 15.746 4.266 -9.906 1.00 0.00 H new ATOM 0 HB THR A 116 13.723 6.535 -10.200 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.262 4.736 -10.420 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.303 5.556 -12.436 1.00 0.00 H new ATOM 0 HG22 THR A 116 14.987 6.112 -12.285 1.00 0.00 H new ATOM 0 HG23 THR A 116 14.609 4.378 -12.166 1.00 0.00 H new ATOM 1849 N LYS A 117 16.340 7.514 -9.913 1.00 0.00 N ATOM 1850 CA LYS A 117 17.270 8.530 -10.376 1.00 0.00 C ATOM 1851 C LYS A 117 17.557 9.547 -9.279 1.00 0.00 C ATOM 1852 O LYS A 117 17.081 10.680 -9.336 1.00 0.00 O ATOM 1853 CB LYS A 117 16.679 9.252 -11.588 1.00 0.00 C ATOM 1854 CG LYS A 117 17.737 10.170 -12.179 1.00 0.00 C ATOM 1855 CD LYS A 117 17.193 10.832 -13.450 1.00 0.00 C ATOM 1856 CE LYS A 117 18.252 11.761 -14.049 1.00 0.00 C ATOM 1857 NZ LYS A 117 19.301 10.948 -14.726 1.00 0.00 N ATOM 0 H LYS A 117 15.599 7.868 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 117 18.204 8.039 -10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 117 16.349 8.529 -12.333 1.00 0.00 H new ATOM 0 HB3 LYS A 117 15.802 9.828 -11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.019 10.932 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 117 18.638 9.602 -12.410 1.00 0.00 H new ATOM 0 HD2 LYS A 117 16.913 10.069 -14.177 1.00 0.00 H new ATOM 0 HD3 LYS A 117 16.290 11.397 -13.218 1.00 0.00 H new ATOM 0 HE2 LYS A 117 17.790 12.444 -14.762 1.00 0.00 H new ATOM 0 HE3 LYS A 117 18.700 12.372 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 19.935 11.575 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 19.850 10.427 -14.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 18.851 10.274 -15.377 1.00 0.00 H new ATOM 1871 N LYS A 118 18.343 9.147 -8.285 1.00 0.00 N ATOM 1872 CA LYS A 118 18.692 10.049 -7.183 1.00 0.00 C ATOM 1873 C LYS A 118 20.141 10.515 -7.336 1.00 0.00 C ATOM 1874 O LYS A 118 21.011 9.743 -7.739 1.00 0.00 O ATOM 1875 CB LYS A 118 18.502 9.319 -5.837 1.00 0.00 C ATOM 1876 CG LYS A 118 18.084 10.322 -4.741 1.00 0.00 C ATOM 1877 CD LYS A 118 16.560 10.519 -4.776 1.00 0.00 C ATOM 1878 CE LYS A 118 16.126 11.444 -3.638 1.00 0.00 C ATOM 1879 NZ LYS A 118 16.619 12.824 -3.902 1.00 0.00 N ATOM 0 H LYS A 118 18.749 8.214 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 118 18.039 10.922 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.743 8.544 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 118 19.429 8.822 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.391 9.955 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.588 11.276 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.262 10.944 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.058 9.556 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 118 15.039 11.445 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.521 11.081 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 16.160 13.488 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.649 12.857 -3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 16.393 13.092 -4.881 1.00 0.00 H new ATOM 1893 N LYS A 119 20.391 11.781 -7.015 1.00 0.00 N ATOM 1894 CA LYS A 119 21.738 12.333 -7.126 1.00 0.00 C ATOM 1895 C LYS A 119 22.687 11.625 -6.164 1.00 0.00 C ATOM 1896 O LYS A 119 23.866 11.554 -6.472 1.00 0.00 O ATOM 1897 CB LYS A 119 21.718 13.832 -6.817 1.00 0.00 C ATOM 1898 CG LYS A 119 23.112 14.430 -7.034 1.00 0.00 C ATOM 1899 CD LYS A 119 23.066 15.934 -6.755 1.00 0.00 C ATOM 1900 CE LYS A 119 24.452 16.542 -6.965 1.00 0.00 C ATOM 1901 NZ LYS A 119 24.851 16.396 -8.394 1.00 0.00 N ATOM 1902 OXT LYS A 119 22.222 11.167 -5.134 1.00 0.00 O ATOM 0 H LYS A 119 19.687 12.438 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 119 22.090 12.179 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 119 20.994 14.334 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 119 21.399 13.995 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 119 23.834 13.948 -6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 119 23.443 14.248 -8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 119 22.344 16.414 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 119 22.731 16.114 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 119 24.444 17.595 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 119 25.179 16.046 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 25.614 17.068 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 25.185 15.426 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 24.032 16.592 -9.005 1.00 0.00 H new TER 1916 LYS A 119