USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=34 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 -150:sc= -7.91! USER MOD Set 1.2: A 63 ASN : amide:sc= -9.43! C(o=-17!,f=-11!) USER MOD Set 2.1: A 20 TYR OH : rot 1:sc= 0.0205 USER MOD Set 2.2: A 43 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3.3) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -6.69! C(o=-11!,f=-24!) USER MOD Set 3.2: A 36 MET CE :methyl 172:sc= -3.63! (180deg=-0.0492) USER MOD Set 3.3: A 52 TYR OH : rot 180:sc= -0.388 USER MOD Set 4.1: A 13 CYS SG : rot -53:sc= -0.743 USER MOD Set 4.2: A 17 THR OG1 : rot 60:sc= 1.92 USER MOD Set 5.1: A 8 MET CE :methyl 175:sc= 0 (180deg=-0.0403) USER MOD Set 5.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -113:sc= -0.301 (180deg=-1.33!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 16 MET CE :methyl -157:sc= -5.22 (180deg=-7.78!) USER MOD Single : A 19 ASN : amide:sc= -0.053 K(o=-0.053,f=-1.5!) USER MOD Single : A 26 GLN : amide:sc= -1.25! K(o=-1.3!,f=0) USER MOD Single : A 27 ASN : amide:sc= -1.98! C(o=-2!,f=-5!) USER MOD Single : A 29 SER OG : rot -91:sc= 0.515 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0787 USER MOD Single : A 31 SER OG : rot -121:sc= 1.72 USER MOD Single : A 33 SER OG : rot -88:sc= 0.187 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00334 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -122:sc= -2.73 (180deg=-5.23!) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 90:sc= 0.397 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -149:sc= -0.484 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 86 MET CE :methyl -161:sc=-0.00111 (180deg=-0.187) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= -0.0196 (180deg=-0.427) USER MOD Single : A 96 CYS SG : rot -63:sc= -2.28! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 91:sc= 0.774 USER MOD Single : A 100 TYR OH : rot 165:sc= -0.0347 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 107 SER OG : rot 72:sc= 0.146 USER MOD Single : A 110 GLN : amide:sc= -0.781 K(o=-0.78,f=-0.078) USER MOD Single : A 111 LYS NZ :NH3+ -109:sc= -0.02 (180deg=-0.964) USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= -0.289 (180deg=-1.26!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 162:sc= -0.0687 (180deg=-0.521) USER MOD Single : A 118 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0186) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.961 21.842 15.276 1.00 0.00 N ATOM 2 CA GLY A 1 7.993 21.134 14.469 1.00 0.00 C ATOM 3 C GLY A 1 7.401 19.850 13.898 1.00 0.00 C ATOM 4 O GLY A 1 7.681 18.755 14.393 1.00 0.00 O ATOM 0 H1 GLY A 1 6.706 22.735 14.807 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.116 21.242 15.362 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.340 22.044 16.223 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.342 21.777 13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.859 20.903 15.089 1.00 0.00 H new ATOM 10 N PRO A 2 6.601 19.957 12.870 1.00 0.00 N ATOM 11 CA PRO A 2 5.977 18.779 12.221 1.00 0.00 C ATOM 12 C PRO A 2 7.022 17.989 11.439 1.00 0.00 C ATOM 13 O PRO A 2 7.880 18.556 10.766 1.00 0.00 O ATOM 14 CB PRO A 2 4.892 19.361 11.285 1.00 0.00 C ATOM 15 CG PRO A 2 4.931 20.860 11.457 1.00 0.00 C ATOM 16 CD PRO A 2 6.221 21.205 12.215 1.00 0.00 C ATOM 0 HA PRO A 2 5.547 18.085 12.944 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.086 19.085 10.249 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.908 18.967 11.541 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.911 21.358 10.487 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.057 21.205 12.010 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.000 21.551 11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.055 22.001 12.941 1.00 0.00 H new ATOM 24 N LEU A 3 6.940 16.678 11.548 1.00 0.00 N ATOM 25 CA LEU A 3 7.878 15.798 10.867 1.00 0.00 C ATOM 26 C LEU A 3 7.662 15.842 9.355 1.00 0.00 C ATOM 27 O LEU A 3 8.617 15.944 8.584 1.00 0.00 O ATOM 28 CB LEU A 3 7.693 14.364 11.386 1.00 0.00 C ATOM 29 CG LEU A 3 7.628 14.379 12.923 1.00 0.00 C ATOM 30 CD1 LEU A 3 7.633 12.941 13.474 1.00 0.00 C ATOM 31 CD2 LEU A 3 8.828 15.155 13.482 1.00 0.00 C ATOM 0 H LEU A 3 6.233 16.195 12.102 1.00 0.00 H new ATOM 0 HA LEU A 3 8.894 16.134 11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.779 13.933 10.977 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.519 13.736 11.052 1.00 0.00 H new ATOM 0 HG LEU A 3 6.704 14.868 13.232 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.587 12.968 14.563 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.769 12.400 13.087 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.547 12.435 13.162 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.780 15.164 14.571 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.753 14.674 13.164 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.805 16.179 13.109 1.00 0.00 H new ATOM 43 N GLY A 4 6.399 15.765 8.939 1.00 0.00 N ATOM 44 CA GLY A 4 6.063 15.797 7.516 1.00 0.00 C ATOM 45 C GLY A 4 6.372 14.459 6.859 1.00 0.00 C ATOM 46 O GLY A 4 6.381 14.340 5.633 1.00 0.00 O ATOM 0 H GLY A 4 5.596 15.681 9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.006 16.033 7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.626 16.589 7.022 1.00 0.00 H new ATOM 50 N SER A 5 6.631 13.453 7.686 1.00 0.00 N ATOM 51 CA SER A 5 6.950 12.122 7.187 1.00 0.00 C ATOM 52 C SER A 5 5.736 11.498 6.509 1.00 0.00 C ATOM 53 O SER A 5 5.758 11.205 5.315 1.00 0.00 O ATOM 54 CB SER A 5 7.400 11.230 8.342 1.00 0.00 C ATOM 55 OG SER A 5 8.543 11.804 8.959 1.00 0.00 O ATOM 0 H SER A 5 6.626 13.534 8.703 1.00 0.00 H new ATOM 0 HA SER A 5 7.755 12.211 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.595 11.123 9.069 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.634 10.230 7.975 1.00 0.00 H new ATOM 0 HG SER A 5 8.834 11.235 9.702 1.00 0.00 H new ATOM 61 N LYS A 6 4.677 11.299 7.282 1.00 0.00 N ATOM 62 CA LYS A 6 3.455 10.705 6.756 1.00 0.00 C ATOM 63 C LYS A 6 3.048 11.381 5.452 1.00 0.00 C ATOM 64 O LYS A 6 2.513 10.737 4.550 1.00 0.00 O ATOM 65 CB LYS A 6 2.332 10.844 7.782 1.00 0.00 C ATOM 66 CG LYS A 6 2.201 12.313 8.196 1.00 0.00 C ATOM 67 CD LYS A 6 1.097 12.458 9.251 1.00 0.00 C ATOM 68 CE LYS A 6 0.934 13.930 9.642 1.00 0.00 C ATOM 69 NZ LYS A 6 -0.152 14.054 10.656 1.00 0.00 N ATOM 0 H LYS A 6 4.639 11.539 8.273 1.00 0.00 H new ATOM 0 HA LYS A 6 3.638 9.649 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.392 10.488 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.543 10.226 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.149 12.674 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.968 12.926 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.156 12.071 8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.344 11.865 10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.870 14.317 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.695 14.527 8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.265 15.053 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.044 13.700 10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.094 13.496 11.498 1.00 0.00 H new ATOM 83 N ASN A 7 3.310 12.677 5.357 1.00 0.00 N ATOM 84 CA ASN A 7 2.972 13.425 4.155 1.00 0.00 C ATOM 85 C ASN A 7 3.762 12.882 2.968 1.00 0.00 C ATOM 86 O ASN A 7 3.236 12.751 1.863 1.00 0.00 O ATOM 87 CB ASN A 7 3.295 14.908 4.357 1.00 0.00 C ATOM 88 CG ASN A 7 2.225 15.560 5.226 1.00 0.00 C ATOM 89 OD1 ASN A 7 1.184 15.979 4.720 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.416 15.660 6.513 1.00 0.00 N ATOM 0 H ASN A 7 3.752 13.229 6.092 1.00 0.00 H new ATOM 0 HA ASN A 7 1.906 13.315 3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.272 15.015 4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.349 15.412 3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.702 16.086 7.103 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.280 15.312 6.929 1.00 0.00 H new ATOM 97 N MET A 8 5.028 12.569 3.216 1.00 0.00 N ATOM 98 CA MET A 8 5.896 12.040 2.172 1.00 0.00 C ATOM 99 C MET A 8 5.318 10.743 1.619 1.00 0.00 C ATOM 100 O MET A 8 5.251 10.548 0.406 1.00 0.00 O ATOM 101 CB MET A 8 7.288 11.774 2.760 1.00 0.00 C ATOM 102 CG MET A 8 8.255 11.317 1.665 1.00 0.00 C ATOM 103 SD MET A 8 7.997 9.560 1.315 1.00 0.00 S ATOM 104 CE MET A 8 9.014 9.484 -0.180 1.00 0.00 C ATOM 0 H MET A 8 5.475 12.672 4.127 1.00 0.00 H new ATOM 0 HA MET A 8 5.970 12.766 1.363 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.668 12.679 3.234 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.222 11.011 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.098 11.904 0.760 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.284 11.487 1.981 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.073 8.453 -0.528 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.566 10.104 -0.957 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.016 9.850 0.043 1.00 0.00 H new ATOM 114 N LEU A 9 4.894 9.863 2.518 1.00 0.00 N ATOM 115 CA LEU A 9 4.321 8.590 2.126 1.00 0.00 C ATOM 116 C LEU A 9 3.048 8.805 1.327 1.00 0.00 C ATOM 117 O LEU A 9 2.828 8.165 0.301 1.00 0.00 O ATOM 118 CB LEU A 9 3.986 7.794 3.384 1.00 0.00 C ATOM 119 CG LEU A 9 5.268 7.377 4.098 1.00 0.00 C ATOM 120 CD1 LEU A 9 4.908 6.748 5.448 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.061 6.362 3.245 1.00 0.00 C ATOM 0 H LEU A 9 4.938 10.012 3.526 1.00 0.00 H new ATOM 0 HA LEU A 9 5.040 8.050 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.369 8.396 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.404 6.911 3.121 1.00 0.00 H new ATOM 0 HG LEU A 9 5.891 8.258 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.820 6.447 5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.370 7.475 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.278 5.873 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.972 6.077 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.450 5.476 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.322 6.816 2.289 1.00 0.00 H new ATOM 133 N LEU A 10 2.207 9.705 1.822 1.00 0.00 N ATOM 134 CA LEU A 10 0.946 9.986 1.156 1.00 0.00 C ATOM 135 C LEU A 10 1.218 10.495 -0.256 1.00 0.00 C ATOM 136 O LEU A 10 0.621 10.031 -1.222 1.00 0.00 O ATOM 137 CB LEU A 10 0.157 11.039 1.966 1.00 0.00 C ATOM 138 CG LEU A 10 -1.352 10.951 1.648 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.998 9.826 2.477 1.00 0.00 C ATOM 140 CD2 LEU A 10 -2.039 12.291 1.976 1.00 0.00 C ATOM 0 H LEU A 10 2.374 10.245 2.671 1.00 0.00 H new ATOM 0 HA LEU A 10 0.352 9.074 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.319 10.882 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.526 12.037 1.731 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.476 10.734 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.062 9.770 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.524 8.876 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.866 10.035 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.103 12.220 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.908 12.517 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.592 13.085 1.377 1.00 0.00 H new ATOM 152 N GLU A 11 2.138 11.437 -0.357 1.00 0.00 N ATOM 153 CA GLU A 11 2.511 12.012 -1.647 1.00 0.00 C ATOM 154 C GLU A 11 3.025 10.926 -2.577 1.00 0.00 C ATOM 155 O GLU A 11 2.566 10.752 -3.708 1.00 0.00 O ATOM 156 CB GLU A 11 3.634 13.008 -1.402 1.00 0.00 C ATOM 157 CG GLU A 11 3.817 13.894 -2.626 1.00 0.00 C ATOM 158 CD GLU A 11 2.649 14.862 -2.747 1.00 0.00 C ATOM 159 OE1 GLU A 11 1.832 14.890 -1.841 1.00 0.00 O ATOM 160 OE2 GLU A 11 2.588 15.563 -3.744 1.00 0.00 O ATOM 0 H GLU A 11 2.645 11.825 0.439 1.00 0.00 H new ATOM 0 HA GLU A 11 1.644 12.491 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.405 13.620 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.561 12.478 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.752 14.448 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.885 13.279 -3.523 1.00 0.00 H new ATOM 167 N TRP A 12 3.991 10.223 -2.042 1.00 0.00 N ATOM 168 CA TRP A 12 4.668 9.128 -2.699 1.00 0.00 C ATOM 169 C TRP A 12 3.665 8.092 -3.221 1.00 0.00 C ATOM 170 O TRP A 12 3.595 7.838 -4.423 1.00 0.00 O ATOM 171 CB TRP A 12 5.567 8.561 -1.611 1.00 0.00 C ATOM 172 CG TRP A 12 6.346 7.373 -2.028 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.488 7.385 -2.745 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.087 5.998 -1.679 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.945 6.084 -2.865 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.107 5.190 -2.223 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.061 5.386 -0.949 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.113 3.805 -2.040 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.056 3.995 -0.763 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.083 3.205 -1.306 1.00 0.00 C ATOM 0 H TRP A 12 4.342 10.403 -1.101 1.00 0.00 H new ATOM 0 HA TRP A 12 5.232 9.437 -3.579 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.258 9.338 -1.284 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.954 8.296 -0.750 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.966 8.262 -3.156 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.794 5.818 -3.364 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.269 5.987 -0.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.905 3.203 -2.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.260 3.530 -0.200 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.078 2.135 -1.157 1.00 0.00 H new ATOM 191 N CYS A 13 2.878 7.518 -2.315 1.00 0.00 N ATOM 192 CA CYS A 13 1.869 6.528 -2.691 1.00 0.00 C ATOM 193 C CYS A 13 0.934 7.082 -3.778 1.00 0.00 C ATOM 194 O CYS A 13 0.626 6.402 -4.756 1.00 0.00 O ATOM 195 CB CYS A 13 1.057 6.165 -1.445 1.00 0.00 C ATOM 196 SG CYS A 13 0.279 4.550 -1.676 1.00 0.00 S ATOM 0 H CYS A 13 2.918 7.720 -1.316 1.00 0.00 H new ATOM 0 HA CYS A 13 2.365 5.644 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.706 6.145 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.296 6.923 -1.261 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.387 4.545 -2.793 1.00 0.00 H new ATOM 202 N ARG A 14 0.520 8.326 -3.589 1.00 0.00 N ATOM 203 CA ARG A 14 -0.362 9.004 -4.544 1.00 0.00 C ATOM 204 C ARG A 14 0.304 9.085 -5.910 1.00 0.00 C ATOM 205 O ARG A 14 -0.352 9.027 -6.949 1.00 0.00 O ATOM 206 CB ARG A 14 -0.678 10.416 -4.058 1.00 0.00 C ATOM 207 CG ARG A 14 -1.755 10.364 -2.975 1.00 0.00 C ATOM 208 CD ARG A 14 -1.978 11.767 -2.408 1.00 0.00 C ATOM 209 NE ARG A 14 -2.500 12.659 -3.448 1.00 0.00 N ATOM 210 CZ ARG A 14 -3.536 13.462 -3.216 1.00 0.00 C ATOM 211 NH1 ARG A 14 -4.748 12.978 -3.218 1.00 0.00 N ATOM 212 NH2 ARG A 14 -3.342 14.731 -2.982 1.00 0.00 N ATOM 0 H ARG A 14 0.779 8.893 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.286 8.431 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.224 10.885 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.018 11.030 -4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.685 9.976 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.453 9.683 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.677 11.722 -1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.040 12.162 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.060 12.664 -4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.901 11.986 -3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.543 13.592 -3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.395 15.110 -2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.137 15.344 -2.805 1.00 0.00 H new ATOM 226 N ALA A 15 1.613 9.255 -5.885 1.00 0.00 N ATOM 227 CA ALA A 15 2.389 9.382 -7.108 1.00 0.00 C ATOM 228 C ALA A 15 2.374 8.095 -7.923 1.00 0.00 C ATOM 229 O ALA A 15 2.517 8.122 -9.144 1.00 0.00 O ATOM 230 CB ALA A 15 3.831 9.752 -6.762 1.00 0.00 C ATOM 0 H ALA A 15 2.164 9.309 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 15 1.934 10.166 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.412 9.847 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.844 10.700 -6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.266 8.973 -6.136 1.00 0.00 H new ATOM 236 N MET A 16 2.237 6.968 -7.236 1.00 0.00 N ATOM 237 CA MET A 16 2.246 5.658 -7.892 1.00 0.00 C ATOM 238 C MET A 16 0.899 4.958 -7.726 1.00 0.00 C ATOM 239 O MET A 16 0.692 3.859 -8.241 1.00 0.00 O ATOM 240 CB MET A 16 3.368 4.808 -7.287 1.00 0.00 C ATOM 241 CG MET A 16 3.234 4.786 -5.758 1.00 0.00 C ATOM 242 SD MET A 16 4.749 4.140 -5.010 1.00 0.00 S ATOM 243 CE MET A 16 5.685 5.696 -4.983 1.00 0.00 C ATOM 0 H MET A 16 2.118 6.930 -6.224 1.00 0.00 H new ATOM 0 HA MET A 16 2.421 5.792 -8.960 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.320 3.793 -7.680 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.339 5.215 -7.571 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.037 5.792 -5.388 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.384 4.168 -5.469 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.752 5.478 -4.950 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.460 6.272 -5.881 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.405 6.274 -4.102 1.00 0.00 H new ATOM 253 N THR A 17 -0.015 5.600 -6.994 1.00 0.00 N ATOM 254 CA THR A 17 -1.345 5.033 -6.754 1.00 0.00 C ATOM 255 C THR A 17 -2.380 5.645 -7.700 1.00 0.00 C ATOM 256 O THR A 17 -3.488 5.131 -7.839 1.00 0.00 O ATOM 257 CB THR A 17 -1.771 5.295 -5.312 1.00 0.00 C ATOM 258 OG1 THR A 17 -0.892 4.619 -4.427 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.202 4.802 -5.097 1.00 0.00 C ATOM 0 H THR A 17 0.140 6.509 -6.559 1.00 0.00 H new ATOM 0 HA THR A 17 -1.291 3.960 -6.936 1.00 0.00 H new ATOM 0 HB THR A 17 -1.730 6.366 -5.113 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.023 4.943 -4.563 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.501 4.991 -4.066 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.874 5.331 -5.773 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.252 3.732 -5.299 1.00 0.00 H new ATOM 267 N ARG A 18 -2.005 6.734 -8.363 1.00 0.00 N ATOM 268 CA ARG A 18 -2.899 7.392 -9.304 1.00 0.00 C ATOM 269 C ARG A 18 -3.119 6.494 -10.517 1.00 0.00 C ATOM 270 O ARG A 18 -4.243 6.300 -10.981 1.00 0.00 O ATOM 271 CB ARG A 18 -2.259 8.706 -9.743 1.00 0.00 C ATOM 272 CG ARG A 18 -3.226 9.448 -10.657 1.00 0.00 C ATOM 273 CD ARG A 18 -2.616 10.775 -11.092 1.00 0.00 C ATOM 274 NE ARG A 18 -3.598 11.542 -11.842 1.00 0.00 N ATOM 275 CZ ARG A 18 -3.235 12.563 -12.600 1.00 0.00 C ATOM 276 NH1 ARG A 18 -2.853 12.358 -13.830 1.00 0.00 N ATOM 277 NH2 ARG A 18 -3.258 13.772 -12.112 1.00 0.00 N ATOM 0 H ARG A 18 -1.091 7.177 -8.266 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.862 7.587 -8.832 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.019 9.317 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.322 8.512 -10.264 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.453 8.838 -11.532 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.168 9.624 -10.138 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.289 11.340 -10.219 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.733 10.597 -11.706 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.584 11.288 -11.782 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.834 11.410 -14.207 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.573 13.145 -14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.555 13.928 -11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.979 14.562 -12.694 1.00 0.00 H new ATOM 291 N ASN A 19 -2.010 5.950 -11.009 1.00 0.00 N ATOM 292 CA ASN A 19 -2.031 5.064 -12.169 1.00 0.00 C ATOM 293 C ASN A 19 -3.225 4.127 -12.082 1.00 0.00 C ATOM 294 O ASN A 19 -3.721 3.627 -13.093 1.00 0.00 O ATOM 295 CB ASN A 19 -0.744 4.237 -12.212 1.00 0.00 C ATOM 296 CG ASN A 19 -0.646 3.491 -13.538 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.192 3.940 -14.547 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.021 2.370 -13.600 1.00 0.00 N ATOM 0 H ASN A 19 -1.080 6.108 -10.620 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.108 5.668 -13.073 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.121 4.889 -12.087 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.730 3.528 -11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.090 1.866 -14.484 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.473 1.999 -12.764 1.00 0.00 H new ATOM 305 N TYR A 20 -3.670 3.887 -10.854 1.00 0.00 N ATOM 306 CA TYR A 20 -4.800 3.003 -10.598 1.00 0.00 C ATOM 307 C TYR A 20 -6.050 3.808 -10.259 1.00 0.00 C ATOM 308 O TYR A 20 -6.194 4.300 -9.148 1.00 0.00 O ATOM 309 CB TYR A 20 -4.449 2.086 -9.429 1.00 0.00 C ATOM 310 CG TYR A 20 -3.157 1.369 -9.735 1.00 0.00 C ATOM 311 CD1 TYR A 20 -3.181 0.139 -10.397 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.942 1.933 -9.353 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.985 -0.533 -10.677 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.741 1.269 -9.630 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.762 0.033 -10.293 1.00 0.00 C ATOM 316 OH TYR A 20 0.422 -0.627 -10.564 1.00 0.00 O ATOM 0 H TYR A 20 -3.261 4.296 -10.014 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.004 2.415 -11.493 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.349 2.667 -8.512 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.249 1.365 -9.263 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.125 -0.295 -10.694 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.926 2.884 -8.842 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.005 -1.485 -11.187 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.200 1.708 -9.334 1.00 0.00 H new ATOM 0 HH TYR A 20 0.230 -1.462 -11.039 1.00 0.00 H new ATOM 326 N GLU A 21 -6.939 3.958 -11.231 1.00 0.00 N ATOM 327 CA GLU A 21 -8.177 4.711 -11.024 1.00 0.00 C ATOM 328 C GLU A 21 -9.078 4.000 -10.031 1.00 0.00 C ATOM 329 O GLU A 21 -8.697 2.982 -9.453 1.00 0.00 O ATOM 330 CB GLU A 21 -8.922 4.851 -12.350 1.00 0.00 C ATOM 331 CG GLU A 21 -9.286 3.463 -12.881 1.00 0.00 C ATOM 332 CD GLU A 21 -9.909 3.587 -14.263 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.445 4.415 -15.028 1.00 0.00 O ATOM 334 OE2 GLU A 21 -10.844 2.853 -14.538 1.00 0.00 O ATOM 0 H GLU A 21 -6.831 3.571 -12.169 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.917 5.694 -10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.824 5.447 -12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.301 5.378 -13.074 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.395 2.837 -12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.983 2.974 -12.200 1.00 0.00 H new ATOM 341 N HIS A 22 -10.274 4.551 -9.826 1.00 0.00 N ATOM 342 CA HIS A 22 -11.219 3.959 -8.891 1.00 0.00 C ATOM 343 C HIS A 22 -10.606 3.960 -7.489 1.00 0.00 C ATOM 344 O HIS A 22 -11.223 3.515 -6.520 1.00 0.00 O ATOM 345 CB HIS A 22 -11.596 2.524 -9.367 1.00 0.00 C ATOM 346 CG HIS A 22 -11.674 1.569 -8.209 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.780 1.500 -7.382 1.00 0.00 N ATOM 348 CD2 HIS A 22 -10.774 0.663 -7.710 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.519 0.583 -6.435 1.00 0.00 C ATOM 350 NE2 HIS A 22 -11.310 0.046 -6.590 1.00 0.00 N ATOM 0 H HIS A 22 -10.605 5.396 -10.291 1.00 0.00 H new ATOM 0 HA HIS A 22 -12.138 4.543 -8.855 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.555 2.550 -9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.856 2.170 -10.084 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.798 0.461 -8.125 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.205 0.314 -5.645 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.871 -0.668 -6.008 1.00 0.00 H new ATOM 358 N VAL A 23 -9.378 4.464 -7.406 1.00 0.00 N ATOM 359 CA VAL A 23 -8.648 4.536 -6.147 1.00 0.00 C ATOM 360 C VAL A 23 -8.193 5.967 -5.906 1.00 0.00 C ATOM 361 O VAL A 23 -7.574 6.585 -6.772 1.00 0.00 O ATOM 362 CB VAL A 23 -7.435 3.603 -6.225 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.552 3.767 -4.995 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.906 2.146 -6.344 1.00 0.00 C ATOM 0 H VAL A 23 -8.864 4.832 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.291 4.228 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.850 3.865 -7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.696 3.096 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.201 4.797 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.126 3.525 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.040 1.487 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.506 1.885 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.508 2.031 -7.246 1.00 0.00 H new ATOM 374 N ASP A 24 -8.495 6.480 -4.720 1.00 0.00 N ATOM 375 CA ASP A 24 -8.115 7.845 -4.346 1.00 0.00 C ATOM 376 C ASP A 24 -7.699 7.884 -2.880 1.00 0.00 C ATOM 377 O ASP A 24 -8.527 7.700 -1.986 1.00 0.00 O ATOM 378 CB ASP A 24 -9.285 8.802 -4.578 1.00 0.00 C ATOM 379 CG ASP A 24 -9.491 9.017 -6.074 1.00 0.00 C ATOM 380 OD1 ASP A 24 -8.587 8.701 -6.828 1.00 0.00 O ATOM 381 OD2 ASP A 24 -10.550 9.495 -6.443 1.00 0.00 O ATOM 0 H ASP A 24 -9.003 5.973 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.275 8.158 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.193 8.396 -4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.089 9.756 -4.088 1.00 0.00 H new ATOM 386 N ILE A 25 -6.413 8.094 -2.640 1.00 0.00 N ATOM 387 CA ILE A 25 -5.895 8.120 -1.276 1.00 0.00 C ATOM 388 C ILE A 25 -6.211 9.430 -0.548 1.00 0.00 C ATOM 389 O ILE A 25 -5.580 10.462 -0.777 1.00 0.00 O ATOM 390 CB ILE A 25 -4.384 7.856 -1.304 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.161 6.399 -1.735 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.783 8.083 0.085 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.670 6.120 -1.952 1.00 0.00 C ATOM 0 H ILE A 25 -5.712 8.248 -3.365 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.396 7.333 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.899 8.537 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.555 5.725 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.711 6.198 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.710 7.893 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.960 9.113 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.251 7.405 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.535 5.082 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.286 6.780 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.127 6.299 -1.024 1.00 0.00 H new ATOM 405 N GLN A 26 -7.193 9.343 0.356 1.00 0.00 N ATOM 406 CA GLN A 26 -7.618 10.482 1.175 1.00 0.00 C ATOM 407 C GLN A 26 -7.078 10.302 2.587 1.00 0.00 C ATOM 408 O GLN A 26 -6.760 11.265 3.284 1.00 0.00 O ATOM 409 CB GLN A 26 -9.147 10.566 1.219 1.00 0.00 C ATOM 410 CG GLN A 26 -9.570 11.818 1.990 1.00 0.00 C ATOM 411 CD GLN A 26 -11.090 11.938 1.991 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.644 12.799 2.674 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.799 11.119 1.263 1.00 0.00 N ATOM 0 H GLN A 26 -7.713 8.485 0.540 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.231 11.403 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.549 10.597 0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.557 9.676 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.200 11.767 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.127 12.703 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.336 10.407 0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.816 11.191 1.259 1.00 0.00 H new ATOM 422 N ASN A 27 -6.957 9.043 2.980 1.00 0.00 N ATOM 423 CA ASN A 27 -6.432 8.683 4.286 1.00 0.00 C ATOM 424 C ASN A 27 -5.770 7.322 4.173 1.00 0.00 C ATOM 425 O ASN A 27 -5.609 6.796 3.074 1.00 0.00 O ATOM 426 CB ASN A 27 -7.550 8.633 5.335 1.00 0.00 C ATOM 427 CG ASN A 27 -8.017 10.045 5.675 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.235 10.994 5.601 1.00 0.00 O ATOM 429 ND2 ASN A 27 -9.253 10.242 6.048 1.00 0.00 N ATOM 0 H ASN A 27 -7.220 8.244 2.403 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.710 9.435 4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.387 8.046 4.957 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.192 8.134 6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.572 11.183 6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.899 9.455 6.109 1.00 0.00 H new ATOM 436 N PHE A 28 -5.373 6.759 5.298 1.00 0.00 N ATOM 437 CA PHE A 28 -4.718 5.456 5.292 1.00 0.00 C ATOM 438 C PHE A 28 -5.698 4.368 5.706 1.00 0.00 C ATOM 439 O PHE A 28 -5.369 3.183 5.710 1.00 0.00 O ATOM 440 CB PHE A 28 -3.535 5.481 6.254 1.00 0.00 C ATOM 441 CG PHE A 28 -2.418 6.303 5.655 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.599 5.746 4.668 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.205 7.620 6.081 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.568 6.503 4.105 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.172 8.377 5.519 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.353 7.819 4.530 1.00 0.00 C ATOM 0 H PHE A 28 -5.489 7.175 6.222 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.365 5.239 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.840 5.904 7.211 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.190 4.466 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.763 4.730 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.838 8.051 6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.063 6.072 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.006 9.392 5.848 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.444 8.404 4.095 1.00 0.00 H new ATOM 456 N SER A 29 -6.898 4.792 6.087 1.00 0.00 N ATOM 457 CA SER A 29 -7.935 3.866 6.553 1.00 0.00 C ATOM 458 C SER A 29 -9.095 3.718 5.569 1.00 0.00 C ATOM 459 O SER A 29 -9.332 2.637 5.025 1.00 0.00 O ATOM 460 CB SER A 29 -8.487 4.392 7.876 1.00 0.00 C ATOM 461 OG SER A 29 -7.431 4.485 8.822 1.00 0.00 O ATOM 0 H SER A 29 -7.181 5.772 6.084 1.00 0.00 H new ATOM 0 HA SER A 29 -7.474 2.884 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.946 5.370 7.729 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.266 3.727 8.248 1.00 0.00 H new ATOM 0 HG SER A 29 -7.372 3.649 9.330 1.00 0.00 H new ATOM 467 N SER A 30 -9.825 4.806 5.368 1.00 0.00 N ATOM 468 CA SER A 30 -10.986 4.794 4.480 1.00 0.00 C ATOM 469 C SER A 30 -10.619 4.433 3.048 1.00 0.00 C ATOM 470 O SER A 30 -11.303 3.636 2.409 1.00 0.00 O ATOM 471 CB SER A 30 -11.651 6.165 4.491 1.00 0.00 C ATOM 472 OG SER A 30 -10.708 7.145 4.071 1.00 0.00 O ATOM 0 H SER A 30 -9.637 5.708 5.805 1.00 0.00 H new ATOM 0 HA SER A 30 -11.669 4.030 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.516 6.168 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.015 6.398 5.492 1.00 0.00 H new ATOM 0 HG SER A 30 -11.131 8.029 4.075 1.00 0.00 H new ATOM 478 N SER A 31 -9.562 5.036 2.541 1.00 0.00 N ATOM 479 CA SER A 31 -9.150 4.777 1.172 1.00 0.00 C ATOM 480 C SER A 31 -8.482 3.410 1.055 1.00 0.00 C ATOM 481 O SER A 31 -7.973 3.050 -0.006 1.00 0.00 O ATOM 482 CB SER A 31 -8.197 5.870 0.706 1.00 0.00 C ATOM 483 OG SER A 31 -8.947 7.033 0.390 1.00 0.00 O ATOM 0 H SER A 31 -8.978 5.701 3.047 1.00 0.00 H new ATOM 0 HA SER A 31 -10.036 4.777 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.469 6.092 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.637 5.534 -0.167 1.00 0.00 H new ATOM 0 HG SER A 31 -8.789 7.280 -0.545 1.00 0.00 H new ATOM 489 N TRP A 32 -8.478 2.659 2.154 1.00 0.00 N ATOM 490 CA TRP A 32 -7.860 1.334 2.180 1.00 0.00 C ATOM 491 C TRP A 32 -8.890 0.234 2.427 1.00 0.00 C ATOM 492 O TRP A 32 -8.566 -0.951 2.359 1.00 0.00 O ATOM 493 CB TRP A 32 -6.822 1.317 3.292 1.00 0.00 C ATOM 494 CG TRP A 32 -5.672 2.166 2.898 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.721 3.506 2.743 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.310 1.765 2.610 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.469 3.952 2.369 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.563 2.915 2.283 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.659 0.524 2.602 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.212 2.835 1.963 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.298 0.443 2.271 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.577 1.594 1.957 1.00 0.00 C ATOM 0 H TRP A 32 -8.896 2.945 3.039 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.400 1.141 1.211 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.260 1.685 4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.489 0.296 3.479 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.594 4.126 2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.242 4.928 2.180 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.207 -0.373 2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.658 3.730 1.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.805 -0.518 2.259 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.528 1.524 1.709 1.00 0.00 H new ATOM 513 N SER A 33 -10.122 0.624 2.736 1.00 0.00 N ATOM 514 CA SER A 33 -11.169 -0.348 3.013 1.00 0.00 C ATOM 515 C SER A 33 -11.324 -1.340 1.864 1.00 0.00 C ATOM 516 O SER A 33 -11.650 -2.506 2.088 1.00 0.00 O ATOM 517 CB SER A 33 -12.495 0.375 3.235 1.00 0.00 C ATOM 518 OG SER A 33 -12.900 0.994 2.020 1.00 0.00 O ATOM 0 H SER A 33 -10.417 1.598 2.800 1.00 0.00 H new ATOM 0 HA SER A 33 -10.887 -0.900 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.256 -0.330 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.388 1.123 4.020 1.00 0.00 H new ATOM 0 HG SER A 33 -12.512 1.892 1.965 1.00 0.00 H new ATOM 524 N SER A 34 -11.104 -0.881 0.635 1.00 0.00 N ATOM 525 CA SER A 34 -11.240 -1.750 -0.529 1.00 0.00 C ATOM 526 C SER A 34 -10.178 -2.842 -0.545 1.00 0.00 C ATOM 527 O SER A 34 -10.371 -3.895 -1.154 1.00 0.00 O ATOM 528 CB SER A 34 -11.111 -0.921 -1.807 1.00 0.00 C ATOM 529 OG SER A 34 -9.843 -0.278 -1.817 1.00 0.00 O ATOM 0 H SER A 34 -10.833 0.079 0.421 1.00 0.00 H new ATOM 0 HA SER A 34 -12.221 -2.222 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.215 -1.561 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.909 -0.180 -1.857 1.00 0.00 H new ATOM 0 HG SER A 34 -9.753 0.254 -2.635 1.00 0.00 H new ATOM 535 N GLY A 35 -9.041 -2.577 0.085 1.00 0.00 N ATOM 536 CA GLY A 35 -7.954 -3.544 0.086 1.00 0.00 C ATOM 537 C GLY A 35 -7.272 -3.522 -1.270 1.00 0.00 C ATOM 538 O GLY A 35 -6.186 -4.069 -1.452 1.00 0.00 O ATOM 0 H GLY A 35 -8.850 -1.714 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.238 -3.304 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.338 -4.542 0.298 1.00 0.00 H new ATOM 542 N MET A 36 -7.940 -2.866 -2.215 1.00 0.00 N ATOM 543 CA MET A 36 -7.440 -2.736 -3.570 1.00 0.00 C ATOM 544 C MET A 36 -6.211 -1.833 -3.593 1.00 0.00 C ATOM 545 O MET A 36 -5.419 -1.865 -4.533 1.00 0.00 O ATOM 546 CB MET A 36 -8.544 -2.143 -4.453 1.00 0.00 C ATOM 547 CG MET A 36 -9.720 -3.126 -4.534 1.00 0.00 C ATOM 548 SD MET A 36 -11.149 -2.322 -5.297 1.00 0.00 S ATOM 549 CE MET A 36 -10.606 -2.462 -7.015 1.00 0.00 C ATOM 0 H MET A 36 -8.840 -2.413 -2.058 1.00 0.00 H new ATOM 0 HA MET A 36 -7.154 -3.717 -3.949 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.880 -1.191 -4.043 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.156 -1.941 -5.451 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.433 -4.002 -5.115 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.980 -3.477 -3.535 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.413 -2.150 -7.678 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.737 -1.823 -7.175 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.340 -3.497 -7.229 1.00 0.00 H new ATOM 559 N ALA A 37 -6.059 -1.015 -2.554 1.00 0.00 N ATOM 560 CA ALA A 37 -4.920 -0.109 -2.474 1.00 0.00 C ATOM 561 C ALA A 37 -3.609 -0.880 -2.267 1.00 0.00 C ATOM 562 O ALA A 37 -2.632 -0.641 -2.973 1.00 0.00 O ATOM 563 CB ALA A 37 -5.125 0.889 -1.334 1.00 0.00 C ATOM 0 H ALA A 37 -6.703 -0.962 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.850 0.430 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.269 1.562 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.031 1.467 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.221 0.350 -0.391 1.00 0.00 H new ATOM 569 N PHE A 38 -3.584 -1.789 -1.292 1.00 0.00 N ATOM 570 CA PHE A 38 -2.369 -2.563 -1.019 1.00 0.00 C ATOM 571 C PHE A 38 -1.892 -3.287 -2.279 1.00 0.00 C ATOM 572 O PHE A 38 -0.692 -3.369 -2.542 1.00 0.00 O ATOM 573 CB PHE A 38 -2.628 -3.591 0.115 1.00 0.00 C ATOM 574 CG PHE A 38 -1.961 -3.140 1.404 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.578 -2.906 1.434 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.725 -2.956 2.563 1.00 0.00 C ATOM 577 CE1 PHE A 38 0.034 -2.489 2.621 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.111 -2.538 3.750 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.733 -2.305 3.777 1.00 0.00 C ATOM 0 H PHE A 38 -4.375 -2.007 -0.686 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.590 -1.870 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.700 -3.704 0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.244 -4.568 -0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.014 -3.048 0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.790 -3.137 2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.099 -2.309 2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.701 -2.396 4.643 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.259 -1.982 4.692 1.00 0.00 H new ATOM 589 N CYS A 39 -2.829 -3.830 -3.039 1.00 0.00 N ATOM 590 CA CYS A 39 -2.473 -4.559 -4.252 1.00 0.00 C ATOM 591 C CYS A 39 -1.956 -3.609 -5.333 1.00 0.00 C ATOM 592 O CYS A 39 -0.966 -3.897 -6.010 1.00 0.00 O ATOM 593 CB CYS A 39 -3.693 -5.319 -4.782 1.00 0.00 C ATOM 594 SG CYS A 39 -3.881 -6.869 -3.869 1.00 0.00 S ATOM 0 H CYS A 39 -3.829 -3.783 -2.844 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.680 -5.264 -4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.590 -4.709 -4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.574 -5.523 -5.846 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.430 -7.762 -4.638 1.00 0.00 H new ATOM 600 N ALA A 40 -2.654 -2.489 -5.500 1.00 0.00 N ATOM 601 CA ALA A 40 -2.301 -1.503 -6.515 1.00 0.00 C ATOM 602 C ALA A 40 -0.910 -0.908 -6.294 1.00 0.00 C ATOM 603 O ALA A 40 -0.150 -0.723 -7.244 1.00 0.00 O ATOM 604 CB ALA A 40 -3.336 -0.381 -6.486 1.00 0.00 C ATOM 0 H ALA A 40 -3.471 -2.242 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.290 -2.007 -7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.085 0.365 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.324 -0.792 -6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.339 0.086 -5.501 1.00 0.00 H new ATOM 610 N LEU A 41 -0.596 -0.592 -5.046 1.00 0.00 N ATOM 611 CA LEU A 41 0.694 0.003 -4.713 1.00 0.00 C ATOM 612 C LEU A 41 1.836 -0.956 -5.065 1.00 0.00 C ATOM 613 O LEU A 41 2.866 -0.543 -5.579 1.00 0.00 O ATOM 614 CB LEU A 41 0.706 0.341 -3.217 1.00 0.00 C ATOM 615 CG LEU A 41 2.035 0.979 -2.798 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.277 2.282 -3.578 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.975 1.283 -1.297 1.00 0.00 C ATOM 0 H LEU A 41 -1.214 -0.737 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 41 0.841 0.914 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.114 1.022 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.537 -0.566 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 41 2.853 0.292 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.225 2.721 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.310 2.066 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.468 2.984 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.913 1.738 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.153 1.970 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.816 0.357 -0.744 1.00 0.00 H new ATOM 629 N ILE A 42 1.637 -2.236 -4.777 1.00 0.00 N ATOM 630 CA ILE A 42 2.644 -3.261 -5.067 1.00 0.00 C ATOM 631 C ILE A 42 2.801 -3.487 -6.577 1.00 0.00 C ATOM 632 O ILE A 42 3.915 -3.628 -7.080 1.00 0.00 O ATOM 633 CB ILE A 42 2.228 -4.574 -4.373 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.597 -4.512 -2.876 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.902 -5.791 -5.027 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.082 -4.865 -2.647 1.00 0.00 C ATOM 0 H ILE A 42 0.787 -2.594 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 42 3.608 -2.923 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 42 1.149 -4.688 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.396 -3.512 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.967 -5.202 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.588 -6.700 -4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.612 -5.847 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.985 -5.690 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.309 -4.812 -1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.276 -5.875 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.712 -4.158 -3.188 1.00 0.00 H new ATOM 648 N HIS A 43 1.676 -3.557 -7.280 1.00 0.00 N ATOM 649 CA HIS A 43 1.684 -3.810 -8.720 1.00 0.00 C ATOM 650 C HIS A 43 2.644 -2.869 -9.446 1.00 0.00 C ATOM 651 O HIS A 43 2.900 -3.024 -10.640 1.00 0.00 O ATOM 652 CB HIS A 43 0.270 -3.622 -9.271 1.00 0.00 C ATOM 653 CG HIS A 43 0.186 -4.160 -10.672 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.185 -3.366 -11.748 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.400 -5.413 -11.188 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.183 -4.143 -12.845 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.167 -5.401 -12.561 1.00 0.00 N ATOM 0 H HIS A 43 0.746 -3.442 -6.878 1.00 0.00 H new ATOM 0 HA HIS A 43 2.022 -4.833 -8.887 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.449 -4.135 -8.632 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.006 -2.565 -9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.703 -6.278 -10.616 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.434 -3.793 -13.835 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.246 -6.184 -13.210 1.00 0.00 H new ATOM 665 N LYS A 44 3.168 -1.896 -8.712 1.00 0.00 N ATOM 666 CA LYS A 44 4.099 -0.923 -9.282 1.00 0.00 C ATOM 667 C LYS A 44 5.541 -1.412 -9.225 1.00 0.00 C ATOM 668 O LYS A 44 6.350 -1.083 -10.093 1.00 0.00 O ATOM 669 CB LYS A 44 3.991 0.411 -8.514 1.00 0.00 C ATOM 670 CG LYS A 44 2.879 1.302 -9.111 1.00 0.00 C ATOM 671 CD LYS A 44 3.495 2.357 -10.041 1.00 0.00 C ATOM 672 CE LYS A 44 4.075 1.669 -11.276 1.00 0.00 C ATOM 673 NZ LYS A 44 4.485 2.700 -12.264 1.00 0.00 N ATOM 0 H LYS A 44 2.966 -1.757 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 44 3.828 -0.785 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.780 0.214 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.945 0.937 -8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.168 0.689 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.324 1.791 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.738 3.083 -10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.276 2.908 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.932 1.056 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.335 1.001 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.880 2.236 -13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.657 3.267 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.205 3.320 -11.840 1.00 0.00 H new ATOM 687 N PHE A 45 5.860 -2.161 -8.184 1.00 0.00 N ATOM 688 CA PHE A 45 7.217 -2.662 -7.991 1.00 0.00 C ATOM 689 C PHE A 45 7.435 -3.998 -8.696 1.00 0.00 C ATOM 690 O PHE A 45 8.544 -4.305 -9.126 1.00 0.00 O ATOM 691 CB PHE A 45 7.476 -2.817 -6.487 1.00 0.00 C ATOM 692 CG PHE A 45 6.764 -1.721 -5.718 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.698 -0.415 -6.225 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.167 -2.019 -4.489 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.038 0.586 -5.501 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.506 -1.021 -3.766 1.00 0.00 C ATOM 697 CZ PHE A 45 5.441 0.284 -4.273 1.00 0.00 C ATOM 0 H PHE A 45 5.200 -2.438 -7.457 1.00 0.00 H new ATOM 0 HA PHE A 45 7.915 -1.947 -8.427 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.128 -3.793 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.547 -2.774 -6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.156 -0.181 -7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.217 -3.024 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.990 1.592 -5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.046 -1.256 -2.818 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.930 1.056 -3.716 1.00 0.00 H new ATOM 707 N PHE A 46 6.382 -4.803 -8.778 1.00 0.00 N ATOM 708 CA PHE A 46 6.480 -6.126 -9.400 1.00 0.00 C ATOM 709 C PHE A 46 5.279 -6.405 -10.310 1.00 0.00 C ATOM 710 O PHE A 46 4.472 -7.272 -9.998 1.00 0.00 O ATOM 711 CB PHE A 46 6.537 -7.159 -8.274 1.00 0.00 C ATOM 712 CG PHE A 46 7.462 -6.638 -7.196 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.801 -6.389 -7.498 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.977 -6.390 -5.903 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.662 -5.898 -6.513 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.837 -5.899 -4.917 1.00 0.00 C ATOM 717 CZ PHE A 46 9.179 -5.653 -5.222 1.00 0.00 C ATOM 0 H PHE A 46 5.454 -4.568 -8.425 1.00 0.00 H new ATOM 0 HA PHE A 46 7.373 -6.176 -10.023 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.541 -7.333 -7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.897 -8.115 -8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.173 -6.576 -8.495 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.939 -6.578 -5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.699 -5.708 -6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.465 -5.710 -3.921 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.844 -5.273 -4.461 1.00 0.00 H new ATOM 727 N PRO A 47 5.129 -5.700 -11.420 1.00 0.00 N ATOM 728 CA PRO A 47 3.969 -5.912 -12.344 1.00 0.00 C ATOM 729 C PRO A 47 3.717 -7.397 -12.597 1.00 0.00 C ATOM 730 O PRO A 47 2.572 -7.827 -12.742 1.00 0.00 O ATOM 731 CB PRO A 47 4.371 -5.194 -13.657 1.00 0.00 C ATOM 732 CG PRO A 47 5.753 -4.635 -13.435 1.00 0.00 C ATOM 733 CD PRO A 47 6.013 -4.637 -11.924 1.00 0.00 C ATOM 0 HA PRO A 47 3.043 -5.521 -11.922 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.364 -5.889 -14.497 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.665 -4.399 -13.896 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.498 -5.238 -13.953 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.827 -3.624 -13.835 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.059 -4.845 -11.698 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.776 -3.672 -11.475 1.00 0.00 H new ATOM 741 N GLU A 48 4.793 -8.168 -12.632 1.00 0.00 N ATOM 742 CA GLU A 48 4.686 -9.602 -12.851 1.00 0.00 C ATOM 743 C GLU A 48 3.930 -10.224 -11.680 1.00 0.00 C ATOM 744 O GLU A 48 3.672 -11.426 -11.644 1.00 0.00 O ATOM 745 CB GLU A 48 6.085 -10.219 -12.972 1.00 0.00 C ATOM 746 CG GLU A 48 6.770 -9.689 -14.238 1.00 0.00 C ATOM 747 CD GLU A 48 6.057 -10.211 -15.482 1.00 0.00 C ATOM 748 OE1 GLU A 48 5.353 -11.202 -15.365 1.00 0.00 O ATOM 749 OE2 GLU A 48 6.229 -9.617 -16.533 1.00 0.00 O ATOM 0 H GLU A 48 5.747 -7.827 -12.512 1.00 0.00 H new ATOM 0 HA GLU A 48 4.145 -9.796 -13.777 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.680 -9.972 -12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.013 -11.306 -13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.761 -8.599 -14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.815 -9.999 -14.252 1.00 0.00 H new ATOM 756 N ALA A 49 3.590 -9.366 -10.722 1.00 0.00 N ATOM 757 CA ALA A 49 2.874 -9.777 -9.517 1.00 0.00 C ATOM 758 C ALA A 49 1.526 -10.391 -9.843 1.00 0.00 C ATOM 759 O ALA A 49 1.299 -11.584 -9.638 1.00 0.00 O ATOM 760 CB ALA A 49 2.632 -8.551 -8.627 1.00 0.00 C ATOM 0 H ALA A 49 3.802 -8.369 -10.758 1.00 0.00 H new ATOM 0 HA ALA A 49 3.487 -10.522 -9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.098 -8.855 -7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.589 -8.108 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.037 -7.818 -9.172 1.00 0.00 H new ATOM 766 N PHE A 50 0.646 -9.556 -10.371 1.00 0.00 N ATOM 767 CA PHE A 50 -0.682 -9.984 -10.746 1.00 0.00 C ATOM 768 C PHE A 50 -1.344 -8.909 -11.591 1.00 0.00 C ATOM 769 O PHE A 50 -0.932 -7.747 -11.574 1.00 0.00 O ATOM 770 CB PHE A 50 -1.528 -10.253 -9.494 1.00 0.00 C ATOM 771 CG PHE A 50 -1.319 -9.145 -8.480 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.864 -7.871 -8.707 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.583 -9.389 -7.312 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.670 -6.849 -7.771 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.392 -8.365 -6.377 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.935 -7.096 -6.607 1.00 0.00 C ATOM 0 H PHE A 50 0.835 -8.570 -10.549 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.607 -10.905 -11.323 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.582 -10.316 -9.764 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.252 -11.213 -9.058 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.433 -7.680 -9.605 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.163 -10.368 -7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.088 -5.869 -7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.175 -8.554 -5.477 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.786 -6.307 -5.885 1.00 0.00 H new ATOM 786 N ASP A 51 -2.390 -9.294 -12.306 1.00 0.00 N ATOM 787 CA ASP A 51 -3.126 -8.345 -13.132 1.00 0.00 C ATOM 788 C ASP A 51 -4.132 -7.594 -12.263 1.00 0.00 C ATOM 789 O ASP A 51 -5.250 -8.062 -12.050 1.00 0.00 O ATOM 790 CB ASP A 51 -3.859 -9.085 -14.253 1.00 0.00 C ATOM 791 CG ASP A 51 -2.864 -9.593 -15.293 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.743 -9.111 -15.295 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.240 -10.451 -16.072 1.00 0.00 O ATOM 0 H ASP A 51 -2.747 -10.249 -12.332 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.428 -7.636 -13.577 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.421 -9.922 -13.838 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.581 -8.419 -14.726 1.00 0.00 H new ATOM 798 N TYR A 52 -3.721 -6.438 -11.754 1.00 0.00 N ATOM 799 CA TYR A 52 -4.581 -5.631 -10.893 1.00 0.00 C ATOM 800 C TYR A 52 -5.876 -5.283 -11.596 1.00 0.00 C ATOM 801 O TYR A 52 -6.889 -5.007 -10.951 1.00 0.00 O ATOM 802 CB TYR A 52 -3.862 -4.339 -10.513 1.00 0.00 C ATOM 803 CG TYR A 52 -4.782 -3.451 -9.700 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.913 -3.647 -8.322 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.514 -2.436 -10.331 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.770 -2.831 -7.576 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.371 -1.618 -9.583 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.497 -1.817 -8.205 1.00 0.00 C ATOM 809 OH TYR A 52 -7.341 -1.010 -7.464 1.00 0.00 O ATOM 0 H TYR A 52 -2.798 -6.038 -11.922 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.808 -6.212 -9.999 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.964 -4.569 -9.939 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.540 -3.815 -11.413 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.352 -4.429 -7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.417 -2.284 -11.396 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.870 -2.985 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.933 -0.835 -10.070 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.769 -0.355 -8.054 1.00 0.00 H new ATOM 819 N ALA A 53 -5.841 -5.298 -12.912 1.00 0.00 N ATOM 820 CA ALA A 53 -7.023 -4.981 -13.695 1.00 0.00 C ATOM 821 C ALA A 53 -7.963 -6.177 -13.755 1.00 0.00 C ATOM 822 O ALA A 53 -9.118 -6.046 -14.156 1.00 0.00 O ATOM 823 CB ALA A 53 -6.606 -4.583 -15.111 1.00 0.00 C ATOM 0 H ALA A 53 -5.013 -5.525 -13.462 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.546 -4.152 -13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.493 -4.345 -15.698 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.955 -3.710 -15.067 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.072 -5.410 -15.579 1.00 0.00 H new ATOM 829 N GLU A 54 -7.456 -7.346 -13.373 1.00 0.00 N ATOM 830 CA GLU A 54 -8.247 -8.570 -13.398 1.00 0.00 C ATOM 831 C GLU A 54 -8.926 -8.801 -12.059 1.00 0.00 C ATOM 832 O GLU A 54 -9.869 -9.584 -11.957 1.00 0.00 O ATOM 833 CB GLU A 54 -7.316 -9.747 -13.687 1.00 0.00 C ATOM 834 CG GLU A 54 -8.121 -10.943 -14.194 1.00 0.00 C ATOM 835 CD GLU A 54 -8.590 -10.693 -15.625 1.00 0.00 C ATOM 836 OE1 GLU A 54 -8.205 -9.680 -16.183 1.00 0.00 O ATOM 837 OE2 GLU A 54 -9.328 -11.518 -16.141 1.00 0.00 O ATOM 0 H GLU A 54 -6.499 -7.470 -13.042 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.013 -8.480 -14.169 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.572 -9.458 -14.430 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.773 -10.022 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.510 -11.845 -14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.981 -11.113 -13.546 1.00 0.00 H new ATOM 844 N LEU A 55 -8.432 -8.127 -11.027 1.00 0.00 N ATOM 845 CA LEU A 55 -8.987 -8.279 -9.689 1.00 0.00 C ATOM 846 C LEU A 55 -10.222 -7.412 -9.506 1.00 0.00 C ATOM 847 O LEU A 55 -10.370 -6.372 -10.150 1.00 0.00 O ATOM 848 CB LEU A 55 -7.916 -7.895 -8.671 1.00 0.00 C ATOM 849 CG LEU A 55 -6.778 -8.936 -8.706 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.551 -8.406 -7.946 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.249 -10.265 -8.072 1.00 0.00 C ATOM 0 H LEU A 55 -7.652 -7.473 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.289 -9.316 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.524 -6.903 -8.896 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.349 -7.847 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.504 -9.115 -9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.754 -9.149 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.205 -7.483 -8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.823 -8.209 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.437 -10.991 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.541 -10.091 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.102 -10.652 -8.629 1.00 0.00 H new ATOM 863 N ASP A 56 -11.117 -7.861 -8.625 1.00 0.00 N ATOM 864 CA ASP A 56 -12.358 -7.142 -8.351 1.00 0.00 C ATOM 865 C ASP A 56 -12.429 -6.744 -6.868 1.00 0.00 C ATOM 866 O ASP A 56 -11.692 -7.286 -6.047 1.00 0.00 O ATOM 867 CB ASP A 56 -13.547 -8.058 -8.707 1.00 0.00 C ATOM 868 CG ASP A 56 -13.879 -7.950 -10.196 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.212 -8.604 -10.983 1.00 0.00 O ATOM 870 OD2 ASP A 56 -14.795 -7.216 -10.527 1.00 0.00 O ATOM 0 H ASP A 56 -11.003 -8.721 -8.089 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.394 -6.233 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.306 -9.091 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.418 -7.781 -8.113 1.00 0.00 H new ATOM 875 N PRO A 57 -13.307 -5.826 -6.504 1.00 0.00 N ATOM 876 CA PRO A 57 -13.456 -5.391 -5.086 1.00 0.00 C ATOM 877 C PRO A 57 -14.185 -6.461 -4.283 1.00 0.00 C ATOM 878 O PRO A 57 -14.217 -6.431 -3.052 1.00 0.00 O ATOM 879 CB PRO A 57 -14.275 -4.078 -5.153 1.00 0.00 C ATOM 880 CG PRO A 57 -14.570 -3.829 -6.610 1.00 0.00 C ATOM 881 CD PRO A 57 -14.254 -5.116 -7.375 1.00 0.00 C ATOM 0 HA PRO A 57 -12.497 -5.236 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.198 -4.167 -4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.713 -3.248 -4.724 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.615 -3.550 -6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.967 -3.002 -6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.153 -5.706 -7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.816 -4.903 -8.350 1.00 0.00 H new ATOM 889 N ALA A 58 -14.780 -7.398 -5.009 1.00 0.00 N ATOM 890 CA ALA A 58 -15.523 -8.486 -4.393 1.00 0.00 C ATOM 891 C ALA A 58 -14.572 -9.438 -3.682 1.00 0.00 C ATOM 892 O ALA A 58 -14.814 -9.853 -2.546 1.00 0.00 O ATOM 893 CB ALA A 58 -16.294 -9.248 -5.474 1.00 0.00 C ATOM 0 H ALA A 58 -14.762 -7.425 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.219 -8.073 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.852 -10.064 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.987 -8.570 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.593 -9.653 -6.204 1.00 0.00 H new ATOM 899 N LYS A 59 -13.495 -9.793 -4.377 1.00 0.00 N ATOM 900 CA LYS A 59 -12.495 -10.715 -3.846 1.00 0.00 C ATOM 901 C LYS A 59 -11.458 -9.976 -2.991 1.00 0.00 C ATOM 902 O LYS A 59 -10.255 -10.132 -3.192 1.00 0.00 O ATOM 903 CB LYS A 59 -11.787 -11.410 -5.014 1.00 0.00 C ATOM 904 CG LYS A 59 -12.790 -12.269 -5.801 1.00 0.00 C ATOM 905 CD LYS A 59 -12.067 -13.027 -6.926 1.00 0.00 C ATOM 906 CE LYS A 59 -11.552 -12.040 -7.980 1.00 0.00 C ATOM 907 NZ LYS A 59 -10.227 -11.513 -7.551 1.00 0.00 N ATOM 0 H LYS A 59 -13.291 -9.453 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.998 -11.448 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.338 -10.666 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.976 -12.035 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.279 -12.976 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.571 -11.636 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.235 -13.598 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.747 -13.743 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.464 -12.535 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.260 -11.220 -8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.272 -10.476 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.979 -11.912 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.504 -11.782 -8.248 1.00 0.00 H new ATOM 921 N ARG A 60 -11.933 -9.167 -2.048 1.00 0.00 N ATOM 922 CA ARG A 60 -11.035 -8.401 -1.181 1.00 0.00 C ATOM 923 C ARG A 60 -10.157 -9.314 -0.317 1.00 0.00 C ATOM 924 O ARG A 60 -8.969 -9.051 -0.144 1.00 0.00 O ATOM 925 CB ARG A 60 -11.858 -7.473 -0.287 1.00 0.00 C ATOM 926 CG ARG A 60 -12.805 -8.310 0.578 1.00 0.00 C ATOM 927 CD ARG A 60 -13.815 -7.395 1.268 1.00 0.00 C ATOM 928 NE ARG A 60 -13.132 -6.518 2.211 1.00 0.00 N ATOM 929 CZ ARG A 60 -13.782 -5.543 2.838 1.00 0.00 C ATOM 930 NH1 ARG A 60 -14.869 -5.808 3.507 1.00 0.00 N ATOM 931 NH2 ARG A 60 -13.331 -4.319 2.782 1.00 0.00 N ATOM 0 H ARG A 60 -12.926 -9.024 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.372 -7.815 -1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.198 -6.880 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.428 -6.773 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.325 -9.042 -0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.236 -8.867 1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.346 -6.800 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.562 -7.993 1.790 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.138 -6.655 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.221 -6.764 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.367 -5.059 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.481 -4.112 2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.829 -3.570 3.263 1.00 0.00 H new ATOM 945 N ARG A 61 -10.743 -10.368 0.239 1.00 0.00 N ATOM 946 CA ARG A 61 -9.979 -11.272 1.098 1.00 0.00 C ATOM 947 C ARG A 61 -8.713 -11.731 0.395 1.00 0.00 C ATOM 948 O ARG A 61 -7.610 -11.668 0.948 1.00 0.00 O ATOM 949 CB ARG A 61 -10.821 -12.500 1.425 1.00 0.00 C ATOM 950 CG ARG A 61 -11.982 -12.107 2.336 1.00 0.00 C ATOM 951 CD ARG A 61 -12.857 -13.332 2.595 1.00 0.00 C ATOM 952 NE ARG A 61 -12.088 -14.364 3.288 1.00 0.00 N ATOM 953 CZ ARG A 61 -11.978 -14.370 4.613 1.00 0.00 C ATOM 954 NH1 ARG A 61 -13.039 -14.538 5.353 1.00 0.00 N ATOM 955 NH2 ARG A 61 -10.810 -14.211 5.174 1.00 0.00 N ATOM 0 H ARG A 61 -11.724 -10.617 0.116 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.715 -10.737 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.203 -12.945 0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.204 -13.255 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.602 -11.711 3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.572 -11.316 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.723 -13.050 3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.236 -13.723 1.651 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.627 -15.094 2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.951 -14.665 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.956 -14.543 6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.980 -14.082 4.596 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.728 -14.216 6.191 1.00 0.00 H new ATOM 969 N HIS A 62 -8.886 -12.182 -0.833 1.00 0.00 N ATOM 970 CA HIS A 62 -7.776 -12.651 -1.638 1.00 0.00 C ATOM 971 C HIS A 62 -6.827 -11.501 -1.971 1.00 0.00 C ATOM 972 O HIS A 62 -5.617 -11.689 -2.054 1.00 0.00 O ATOM 973 CB HIS A 62 -8.318 -13.259 -2.929 1.00 0.00 C ATOM 974 CG HIS A 62 -8.970 -14.585 -2.631 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.285 -15.786 -2.728 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.247 -14.913 -2.239 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.144 -16.771 -2.406 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.352 -16.295 -2.098 1.00 0.00 N ATOM 0 H HIS A 62 -9.793 -12.233 -1.297 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.222 -13.402 -1.075 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.040 -12.582 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.509 -13.394 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.046 -14.207 -2.067 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.887 -17.820 -2.398 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.175 -16.828 -1.819 1.00 0.00 H new ATOM 986 N ASN A 63 -7.393 -10.313 -2.155 1.00 0.00 N ATOM 987 CA ASN A 63 -6.597 -9.130 -2.481 1.00 0.00 C ATOM 988 C ASN A 63 -5.615 -8.824 -1.363 1.00 0.00 C ATOM 989 O ASN A 63 -4.449 -8.511 -1.614 1.00 0.00 O ATOM 990 CB ASN A 63 -7.529 -7.928 -2.682 1.00 0.00 C ATOM 991 CG ASN A 63 -6.876 -6.873 -3.572 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.903 -6.990 -4.795 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.293 -5.841 -3.029 1.00 0.00 N ATOM 0 H ASN A 63 -8.396 -10.142 -2.085 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.038 -9.325 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.465 -8.260 -3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.778 -7.490 -1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.860 -5.131 -3.619 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.270 -5.744 -2.014 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.087 -8.926 -0.129 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.216 -8.666 1.003 1.00 0.00 C ATOM 1002 C PHE A 64 -4.122 -9.728 1.054 1.00 0.00 C ATOM 1003 O PHE A 64 -2.934 -9.410 1.008 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.027 -8.657 2.306 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.740 -7.326 2.471 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.016 -6.184 2.846 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.121 -7.232 2.250 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.670 -4.956 2.996 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.773 -6.002 2.402 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.047 -4.865 2.774 1.00 0.00 C ATOM 0 H PHE A 64 -7.045 -9.181 0.109 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.753 -7.686 0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.754 -9.469 2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.366 -8.832 3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.952 -6.253 3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.682 -8.109 1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.110 -4.078 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.837 -5.931 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.551 -3.917 2.890 1.00 0.00 H new ATOM 1020 N THR A 65 -4.530 -10.992 1.139 1.00 0.00 N ATOM 1021 CA THR A 65 -3.556 -12.078 1.190 1.00 0.00 C ATOM 1022 C THR A 65 -2.585 -11.943 0.028 1.00 0.00 C ATOM 1023 O THR A 65 -1.379 -12.116 0.183 1.00 0.00 O ATOM 1024 CB THR A 65 -4.248 -13.440 1.096 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.341 -13.483 2.000 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.244 -14.543 1.448 1.00 0.00 C ATOM 0 H THR A 65 -5.506 -11.285 1.173 1.00 0.00 H new ATOM 0 HA THR A 65 -3.025 -12.015 2.140 1.00 0.00 H new ATOM 0 HB THR A 65 -4.616 -13.593 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.784 -14.355 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.733 -15.515 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.407 -14.510 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.876 -14.390 2.463 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.131 -11.641 -1.143 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.330 -11.494 -2.349 1.00 0.00 C ATOM 1036 C LEU A 66 -1.285 -10.403 -2.183 1.00 0.00 C ATOM 1037 O LEU A 66 -0.105 -10.615 -2.462 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.260 -11.131 -3.503 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.479 -10.893 -4.801 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.686 -12.151 -5.183 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.483 -10.565 -5.907 1.00 0.00 C ATOM 0 H LEU A 66 -4.131 -11.493 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.812 -12.432 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.984 -11.932 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.825 -10.235 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.777 -10.071 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.136 -11.968 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.985 -12.395 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.374 -12.984 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.950 -10.391 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.172 -11.400 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.043 -9.670 -5.637 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.716 -9.230 -1.739 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.787 -8.135 -1.569 1.00 0.00 C ATOM 1055 C ALA A 67 0.321 -8.540 -0.617 1.00 0.00 C ATOM 1056 O ALA A 67 1.485 -8.197 -0.818 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.508 -6.913 -1.012 1.00 0.00 C ATOM 0 H ALA A 67 -2.684 -9.020 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.360 -7.888 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.797 -6.096 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.295 -6.609 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.949 -7.159 -0.046 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.050 -9.276 0.420 1.00 0.00 N ATOM 1064 CA PHE A 68 0.923 -9.722 1.402 1.00 0.00 C ATOM 1065 C PHE A 68 1.700 -10.938 0.893 1.00 0.00 C ATOM 1066 O PHE A 68 2.927 -10.975 0.985 1.00 0.00 O ATOM 1067 CB PHE A 68 0.218 -10.048 2.726 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.449 -8.800 3.287 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.317 -7.663 3.589 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.836 -8.778 3.515 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.294 -6.517 4.110 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.446 -7.628 4.039 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.675 -6.498 4.335 1.00 0.00 C ATOM 0 H PHE A 68 -1.008 -9.574 0.601 1.00 0.00 H new ATOM 0 HA PHE A 68 1.638 -8.917 1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.527 -10.828 2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.939 -10.438 3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.383 -7.673 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.433 -9.648 3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.301 -5.646 4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.512 -7.615 4.214 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.145 -5.613 4.737 1.00 0.00 H new ATOM 1083 N SER A 69 0.993 -11.924 0.354 1.00 0.00 N ATOM 1084 CA SER A 69 1.655 -13.121 -0.158 1.00 0.00 C ATOM 1085 C SER A 69 2.616 -12.767 -1.287 1.00 0.00 C ATOM 1086 O SER A 69 3.636 -13.433 -1.471 1.00 0.00 O ATOM 1087 CB SER A 69 0.622 -14.129 -0.668 1.00 0.00 C ATOM 1088 OG SER A 69 1.289 -15.332 -1.033 1.00 0.00 O ATOM 0 H SER A 69 -0.023 -11.922 0.260 1.00 0.00 H new ATOM 0 HA SER A 69 2.219 -13.567 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.121 -14.330 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.088 -13.720 -1.526 1.00 0.00 H new ATOM 0 HG SER A 69 0.634 -15.983 -1.359 1.00 0.00 H new ATOM 1094 N THR A 70 2.311 -11.698 -2.018 1.00 0.00 N ATOM 1095 CA THR A 70 3.192 -11.265 -3.094 1.00 0.00 C ATOM 1096 C THR A 70 4.366 -10.475 -2.526 1.00 0.00 C ATOM 1097 O THR A 70 5.517 -10.701 -2.891 1.00 0.00 O ATOM 1098 CB THR A 70 2.435 -10.410 -4.112 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.440 -11.197 -4.750 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.422 -9.886 -5.158 1.00 0.00 C ATOM 0 H THR A 70 1.476 -11.126 -1.888 1.00 0.00 H new ATOM 0 HA THR A 70 3.568 -12.153 -3.602 1.00 0.00 H new ATOM 0 HB THR A 70 1.958 -9.572 -3.604 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.605 -11.146 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.889 -9.276 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.185 -9.282 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.895 -10.727 -5.665 1.00 0.00 H new ATOM 1108 N ALA A 71 4.062 -9.541 -1.626 1.00 0.00 N ATOM 1109 CA ALA A 71 5.103 -8.723 -1.016 1.00 0.00 C ATOM 1110 C ALA A 71 6.056 -9.584 -0.195 1.00 0.00 C ATOM 1111 O ALA A 71 7.259 -9.325 -0.155 1.00 0.00 O ATOM 1112 CB ALA A 71 4.481 -7.651 -0.119 1.00 0.00 C ATOM 0 H ALA A 71 3.115 -9.335 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 71 5.664 -8.241 -1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.271 -7.048 0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.830 -7.011 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.898 -8.129 0.668 1.00 0.00 H new ATOM 1118 N GLU A 72 5.518 -10.608 0.464 1.00 0.00 N ATOM 1119 CA GLU A 72 6.352 -11.485 1.275 1.00 0.00 C ATOM 1120 C GLU A 72 7.217 -12.380 0.388 1.00 0.00 C ATOM 1121 O GLU A 72 8.425 -12.472 0.571 1.00 0.00 O ATOM 1122 CB GLU A 72 5.476 -12.351 2.191 1.00 0.00 C ATOM 1123 CG GLU A 72 6.366 -13.179 3.125 1.00 0.00 C ATOM 1124 CD GLU A 72 5.506 -14.013 4.069 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.308 -13.784 4.109 1.00 0.00 O ATOM 1126 OE2 GLU A 72 6.056 -14.875 4.737 1.00 0.00 O ATOM 0 H GLU A 72 4.526 -10.846 0.452 1.00 0.00 H new ATOM 0 HA GLU A 72 7.006 -10.864 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.808 -11.719 2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.848 -13.011 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.013 -13.831 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.015 -12.519 3.700 1.00 0.00 H new ATOM 1133 N LYS A 73 6.599 -13.051 -0.571 1.00 0.00 N ATOM 1134 CA LYS A 73 7.360 -13.940 -1.433 1.00 0.00 C ATOM 1135 C LYS A 73 8.474 -13.179 -2.147 1.00 0.00 C ATOM 1136 O LYS A 73 9.585 -13.689 -2.301 1.00 0.00 O ATOM 1137 CB LYS A 73 6.424 -14.590 -2.462 1.00 0.00 C ATOM 1138 CG LYS A 73 7.181 -15.642 -3.294 1.00 0.00 C ATOM 1139 CD LYS A 73 6.243 -16.275 -4.341 1.00 0.00 C ATOM 1140 CE LYS A 73 5.304 -17.281 -3.667 1.00 0.00 C ATOM 1141 NZ LYS A 73 4.603 -18.080 -4.709 1.00 0.00 N ATOM 0 H LYS A 73 5.600 -13.000 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 73 7.816 -14.716 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.583 -15.059 -1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.012 -13.826 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.032 -15.177 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.579 -16.416 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.661 -15.498 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.830 -16.774 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.871 -17.939 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.578 -16.757 -3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.965 -18.763 -4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.050 -17.445 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.303 -18.591 -5.284 1.00 0.00 H new ATOM 1155 N LEU A 74 8.167 -11.966 -2.599 1.00 0.00 N ATOM 1156 CA LEU A 74 9.140 -11.153 -3.317 1.00 0.00 C ATOM 1157 C LEU A 74 10.111 -10.424 -2.386 1.00 0.00 C ATOM 1158 O LEU A 74 11.322 -10.492 -2.596 1.00 0.00 O ATOM 1159 CB LEU A 74 8.402 -10.122 -4.178 1.00 0.00 C ATOM 1160 CG LEU A 74 7.633 -10.822 -5.317 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.756 -9.801 -6.045 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.620 -11.459 -6.320 1.00 0.00 C ATOM 0 H LEU A 74 7.254 -11.527 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 74 9.730 -11.830 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.709 -9.552 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.115 -9.411 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 74 7.008 -11.606 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.213 -10.296 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.046 -9.365 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.384 -9.014 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.062 -11.949 -7.118 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.257 -10.684 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.238 -12.194 -5.805 1.00 0.00 H new ATOM 1174 N ALA A 75 9.599 -9.696 -1.386 1.00 0.00 N ATOM 1175 CA ALA A 75 10.478 -8.933 -0.486 1.00 0.00 C ATOM 1176 C ALA A 75 10.461 -9.454 0.949 1.00 0.00 C ATOM 1177 O ALA A 75 11.091 -8.860 1.824 1.00 0.00 O ATOM 1178 CB ALA A 75 10.048 -7.465 -0.492 1.00 0.00 C ATOM 0 H ALA A 75 8.603 -9.618 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 75 11.496 -9.047 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.695 -6.894 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.126 -7.067 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.016 -7.387 -0.150 1.00 0.00 H new ATOM 1184 N ASP A 76 9.765 -10.558 1.209 1.00 0.00 N ATOM 1185 CA ASP A 76 9.737 -11.096 2.566 1.00 0.00 C ATOM 1186 C ASP A 76 9.439 -9.982 3.564 1.00 0.00 C ATOM 1187 O ASP A 76 10.033 -9.913 4.640 1.00 0.00 O ATOM 1188 CB ASP A 76 11.085 -11.738 2.879 1.00 0.00 C ATOM 1189 CG ASP A 76 11.315 -12.942 1.968 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.407 -13.748 1.842 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.394 -13.039 1.409 1.00 0.00 O ATOM 0 H ASP A 76 9.227 -11.085 0.520 1.00 0.00 H new ATOM 0 HA ASP A 76 8.952 -11.848 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.884 -11.010 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.114 -12.051 3.923 1.00 0.00 H new ATOM 1196 N CYS A 77 8.524 -9.101 3.173 1.00 0.00 N ATOM 1197 CA CYS A 77 8.131 -7.958 3.994 1.00 0.00 C ATOM 1198 C CYS A 77 7.837 -8.348 5.446 1.00 0.00 C ATOM 1199 O CYS A 77 8.082 -9.478 5.870 1.00 0.00 O ATOM 1200 CB CYS A 77 6.892 -7.304 3.375 1.00 0.00 C ATOM 1201 SG CYS A 77 6.793 -5.572 3.890 1.00 0.00 S ATOM 0 H CYS A 77 8.034 -9.158 2.280 1.00 0.00 H new ATOM 0 HA CYS A 77 8.968 -7.260 4.015 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.940 -7.368 2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.994 -7.838 3.686 1.00 0.00 H new ATOM 0 HG CYS A 77 5.546 -5.211 3.961 1.00 0.00 H new ATOM 1207 N ALA A 78 7.299 -7.383 6.189 1.00 0.00 N ATOM 1208 CA ALA A 78 6.950 -7.583 7.593 1.00 0.00 C ATOM 1209 C ALA A 78 5.573 -8.237 7.710 1.00 0.00 C ATOM 1210 O ALA A 78 4.863 -8.387 6.717 1.00 0.00 O ATOM 1211 CB ALA A 78 6.953 -6.234 8.325 1.00 0.00 C ATOM 0 H ALA A 78 7.094 -6.448 5.838 1.00 0.00 H new ATOM 0 HA ALA A 78 7.689 -8.242 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.692 -6.388 9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.945 -5.787 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.224 -5.568 7.863 1.00 0.00 H new ATOM 1217 N GLN A 79 5.205 -8.628 8.929 1.00 0.00 N ATOM 1218 CA GLN A 79 3.910 -9.272 9.177 1.00 0.00 C ATOM 1219 C GLN A 79 3.151 -8.514 10.256 1.00 0.00 C ATOM 1220 O GLN A 79 2.994 -9.000 11.374 1.00 0.00 O ATOM 1221 CB GLN A 79 4.142 -10.709 9.638 1.00 0.00 C ATOM 1222 CG GLN A 79 4.734 -11.515 8.484 1.00 0.00 C ATOM 1223 CD GLN A 79 5.044 -12.937 8.941 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.714 -13.315 10.065 1.00 0.00 O ATOM 1225 NE2 GLN A 79 5.666 -13.752 8.133 1.00 0.00 N ATOM 0 H GLN A 79 5.783 -8.512 9.762 1.00 0.00 H new ATOM 0 HA GLN A 79 3.325 -9.268 8.257 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.818 -10.725 10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.203 -11.155 9.965 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.033 -11.538 7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.644 -11.034 8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.939 -13.437 7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.879 -14.703 8.433 1.00 0.00 H new ATOM 1234 N LEU A 80 2.703 -7.305 9.923 1.00 0.00 N ATOM 1235 CA LEU A 80 1.982 -6.472 10.887 1.00 0.00 C ATOM 1236 C LEU A 80 0.470 -6.491 10.631 1.00 0.00 C ATOM 1237 O LEU A 80 -0.317 -6.259 11.548 1.00 0.00 O ATOM 1238 CB LEU A 80 2.466 -5.014 10.796 1.00 0.00 C ATOM 1239 CG LEU A 80 3.982 -4.947 10.594 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.403 -3.480 10.559 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.708 -5.645 11.740 1.00 0.00 C ATOM 0 H LEU A 80 2.824 -6.882 9.003 1.00 0.00 H new ATOM 0 HA LEU A 80 2.182 -6.882 11.877 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.964 -4.512 9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.194 -4.480 11.706 1.00 0.00 H new ATOM 0 HG LEU A 80 4.241 -5.446 9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.482 -3.414 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.896 -2.976 9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.132 -3.001 11.500 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.784 -5.587 11.578 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.456 -5.157 12.681 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.403 -6.691 11.780 1.00 0.00 H new ATOM 1253 N LEU A 81 0.061 -6.742 9.377 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.377 -6.747 9.025 1.00 0.00 C ATOM 1255 C LEU A 81 -1.891 -8.157 8.732 1.00 0.00 C ATOM 1256 O LEU A 81 -1.202 -8.975 8.123 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.632 -5.886 7.775 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.834 -4.585 7.853 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.157 -3.705 6.641 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.213 -3.836 9.123 1.00 0.00 C ATOM 0 H LEU A 81 0.689 -6.941 8.599 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.906 -6.342 9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.350 -6.440 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.696 -5.663 7.690 1.00 0.00 H new ATOM 0 HG LEU A 81 0.231 -4.818 7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.586 -2.779 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.893 -4.235 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.222 -3.474 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.645 -2.907 9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.279 -3.609 9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.987 -4.455 9.991 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.126 -8.413 9.165 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.781 -9.705 8.948 1.00 0.00 C ATOM 1274 C GLU A 82 -5.018 -9.523 8.077 1.00 0.00 C ATOM 1275 O GLU A 82 -5.868 -8.678 8.354 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.174 -10.316 10.287 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.905 -10.680 11.058 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.266 -11.210 12.440 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.443 -11.227 12.757 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.359 -11.594 13.161 1.00 0.00 O ATOM 0 H GLU A 82 -3.697 -7.737 9.672 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.087 -10.375 8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.774 -9.610 10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.787 -11.203 10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.339 -11.432 10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.263 -9.804 11.152 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.099 -10.316 7.021 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.212 -10.247 6.083 1.00 0.00 C ATOM 1289 C VAL A 83 -7.553 -10.148 6.803 1.00 0.00 C ATOM 1290 O VAL A 83 -8.344 -9.237 6.551 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.182 -11.520 5.231 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.427 -11.588 4.324 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.883 -11.552 4.392 1.00 0.00 C ATOM 0 H VAL A 83 -4.401 -11.022 6.789 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.107 -9.353 5.468 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.197 -12.392 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.391 -12.498 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.326 -11.594 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.445 -10.720 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.863 -12.458 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.849 -10.679 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.020 -11.541 5.057 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.813 -11.110 7.673 1.00 0.00 N ATOM 1304 CA ASP A 84 -9.074 -11.151 8.398 1.00 0.00 C ATOM 1305 C ASP A 84 -9.347 -9.833 9.114 1.00 0.00 C ATOM 1306 O ASP A 84 -10.453 -9.299 9.046 1.00 0.00 O ATOM 1307 CB ASP A 84 -9.032 -12.287 9.418 1.00 0.00 C ATOM 1308 CG ASP A 84 -9.041 -13.628 8.692 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.364 -13.639 7.515 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.718 -14.622 9.320 1.00 0.00 O ATOM 0 H ASP A 84 -7.171 -11.871 7.894 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.877 -11.318 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.137 -12.202 10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.889 -12.219 10.088 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.338 -9.315 9.800 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.492 -8.062 10.526 1.00 0.00 C ATOM 1317 C ASP A 85 -8.807 -6.933 9.559 1.00 0.00 C ATOM 1318 O ASP A 85 -9.703 -6.124 9.799 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.201 -7.745 11.284 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.461 -6.685 12.343 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -8.530 -6.711 12.927 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -6.585 -5.863 12.557 1.00 0.00 O ATOM 0 H ASP A 85 -7.412 -9.738 9.869 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.314 -8.161 11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.814 -8.650 11.752 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.439 -7.395 10.588 1.00 0.00 H new ATOM 1327 N MET A 86 -8.073 -6.888 8.454 1.00 0.00 N ATOM 1328 CA MET A 86 -8.295 -5.856 7.456 1.00 0.00 C ATOM 1329 C MET A 86 -9.709 -5.959 6.907 1.00 0.00 C ATOM 1330 O MET A 86 -10.427 -4.966 6.791 1.00 0.00 O ATOM 1331 CB MET A 86 -7.300 -6.040 6.303 1.00 0.00 C ATOM 1332 CG MET A 86 -5.856 -5.846 6.796 1.00 0.00 C ATOM 1333 SD MET A 86 -4.861 -5.131 5.470 1.00 0.00 S ATOM 1334 CE MET A 86 -5.283 -3.400 5.786 1.00 0.00 C ATOM 0 H MET A 86 -7.328 -7.547 8.230 1.00 0.00 H new ATOM 0 HA MET A 86 -8.155 -4.879 7.919 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.413 -7.036 5.874 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.518 -5.325 5.510 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.843 -5.193 7.668 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.435 -6.802 7.107 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.061 -2.804 4.901 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.345 -3.321 6.019 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.698 -3.031 6.628 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.091 -7.181 6.586 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.413 -7.459 6.053 1.00 0.00 C ATOM 1346 C VAL A 87 -12.485 -7.280 7.123 1.00 0.00 C ATOM 1347 O VAL A 87 -13.553 -6.732 6.854 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.447 -8.886 5.510 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.859 -9.225 5.019 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.451 -9.005 4.351 1.00 0.00 C ATOM 0 H VAL A 87 -9.498 -8.005 6.686 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.622 -6.753 5.249 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.174 -9.584 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.875 -10.244 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.563 -9.139 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.145 -8.533 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.470 -10.022 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.726 -8.306 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.448 -8.772 4.708 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.200 -7.754 8.335 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.144 -7.657 9.431 1.00 0.00 C ATOM 1362 C ARG A 88 -13.321 -6.219 9.899 1.00 0.00 C ATOM 1363 O ARG A 88 -14.445 -5.753 10.093 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.628 -8.522 10.586 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.526 -8.342 11.803 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.167 -9.373 12.874 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.376 -10.725 12.365 1.00 0.00 N ATOM 1368 CZ ARG A 88 -14.552 -11.335 12.479 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -15.656 -10.688 12.221 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -14.602 -12.580 12.860 1.00 0.00 N ATOM 0 H ARG A 88 -11.319 -8.209 8.576 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.118 -8.007 9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.609 -9.570 10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.604 -8.242 10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.412 -7.335 12.203 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.571 -8.454 11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.127 -9.247 13.176 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.778 -9.213 13.762 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.603 -11.212 11.912 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.619 -9.711 11.931 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.556 -11.160 12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.740 -13.084 13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.503 -13.051 12.948 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.211 -5.525 10.093 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.269 -4.147 10.552 1.00 0.00 C ATOM 1386 C LEU A 89 -12.948 -3.270 9.509 1.00 0.00 C ATOM 1387 O LEU A 89 -13.860 -2.502 9.820 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.846 -3.630 10.803 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.224 -4.326 12.026 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.731 -3.974 12.106 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.921 -3.866 13.321 1.00 0.00 C ATOM 0 H LEU A 89 -11.270 -5.888 9.942 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.845 -4.108 11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.228 -3.809 9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.868 -2.552 10.964 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.351 -5.403 11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.287 -4.466 12.972 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.228 -4.312 11.200 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.616 -2.894 12.204 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.468 -4.368 14.176 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.808 -2.788 13.432 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.981 -4.116 13.272 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.455 -3.357 8.279 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.973 -2.527 7.204 1.00 0.00 C ATOM 1405 C ALA A 90 -12.664 -1.080 7.560 1.00 0.00 C ATOM 1406 O ALA A 90 -13.331 -0.145 7.113 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.487 -2.734 7.043 1.00 0.00 C ATOM 0 H ALA A 90 -11.703 -3.989 8.005 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.508 -2.795 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.856 -2.104 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.689 -3.780 6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.992 -2.465 7.971 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.624 -0.938 8.381 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.154 0.357 8.860 1.00 0.00 C ATOM 1415 C VAL A 91 -9.725 0.218 9.406 1.00 0.00 C ATOM 1416 O VAL A 91 -9.481 0.483 10.580 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.073 0.873 9.990 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.466 2.145 10.635 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.466 1.203 9.430 1.00 0.00 C ATOM 0 H VAL A 91 -11.081 -1.726 8.734 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.169 1.063 8.029 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.162 0.093 10.746 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.123 2.499 11.430 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.487 1.910 11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.361 2.922 9.878 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.105 1.566 10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.377 1.972 8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.905 0.305 8.994 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.778 -0.200 8.600 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.368 -0.363 9.058 1.00 0.00 C ATOM 1431 C PRO A 92 -6.920 0.822 9.909 1.00 0.00 C ATOM 1432 O PRO A 92 -7.646 1.802 10.065 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.538 -0.477 7.758 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.515 -0.376 6.615 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.926 -0.567 7.188 1.00 0.00 C ATOM 0 HA PRO A 92 -7.244 -1.239 9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.793 0.317 7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.998 -1.423 7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.430 0.593 6.124 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.302 -1.135 5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.653 0.069 6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.269 -1.596 7.075 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.711 0.724 10.447 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.155 1.791 11.277 1.00 0.00 C ATOM 1445 C ASP A 93 -3.996 2.470 10.556 1.00 0.00 C ATOM 1446 O ASP A 93 -3.058 1.815 10.098 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.697 1.221 12.616 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.913 0.830 13.451 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -7.014 1.165 13.048 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.726 0.200 14.480 1.00 0.00 O ATOM 0 H ASP A 93 -5.096 -0.081 10.325 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.927 2.538 11.462 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.060 0.351 12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.098 1.959 13.151 1.00 0.00 H new ATOM 1455 N SER A 94 -4.087 3.789 10.439 1.00 0.00 N ATOM 1456 CA SER A 94 -3.066 4.568 9.751 1.00 0.00 C ATOM 1457 C SER A 94 -1.678 4.232 10.272 1.00 0.00 C ATOM 1458 O SER A 94 -0.699 4.265 9.527 1.00 0.00 O ATOM 1459 CB SER A 94 -3.335 6.061 9.941 1.00 0.00 C ATOM 1460 OG SER A 94 -3.266 6.375 11.326 1.00 0.00 O ATOM 0 H SER A 94 -4.859 4.342 10.812 1.00 0.00 H new ATOM 0 HA SER A 94 -3.107 4.319 8.691 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.604 6.648 9.386 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.317 6.319 9.546 1.00 0.00 H new ATOM 0 HG SER A 94 -3.436 7.332 11.453 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.606 3.893 11.546 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.335 3.529 12.153 1.00 0.00 C ATOM 1468 C LYS A 95 0.152 2.201 11.603 1.00 0.00 C ATOM 1469 O LYS A 95 1.336 2.030 11.316 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.491 3.425 13.665 1.00 0.00 C ATOM 1471 CG LYS A 95 0.873 3.172 14.313 1.00 0.00 C ATOM 1472 CD LYS A 95 0.721 3.175 15.838 1.00 0.00 C ATOM 1473 CE LYS A 95 2.086 2.956 16.502 1.00 0.00 C ATOM 1474 NZ LYS A 95 2.630 1.633 16.091 1.00 0.00 N ATOM 0 H LYS A 95 -2.406 3.861 12.178 1.00 0.00 H new ATOM 0 HA LYS A 95 0.396 4.302 11.916 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.926 4.344 14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.177 2.616 13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.275 2.216 13.979 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.582 3.941 14.006 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.295 4.123 16.167 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.029 2.391 16.144 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.775 3.750 16.213 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.986 2.999 17.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.380 1.346 16.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.868 0.925 16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.022 1.702 15.130 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.771 1.249 11.468 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.415 -0.065 10.967 1.00 0.00 C ATOM 1490 C CYS A 96 0.040 0.015 9.515 1.00 0.00 C ATOM 1491 O CYS A 96 1.061 -0.562 9.133 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.615 -1.020 11.089 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.726 -0.833 9.667 1.00 0.00 S ATOM 0 H CYS A 96 -1.758 1.367 11.697 1.00 0.00 H new ATOM 0 HA CYS A 96 0.410 -0.448 11.567 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.263 -2.050 11.149 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -2.158 -0.814 12.011 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.221 0.369 9.658 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.735 0.736 8.710 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.416 0.902 7.305 1.00 0.00 C ATOM 1501 C VAL A 97 0.901 1.635 7.187 1.00 0.00 C ATOM 1502 O VAL A 97 1.785 1.243 6.434 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.504 1.730 6.614 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.127 1.964 5.153 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.842 0.993 6.694 1.00 0.00 C ATOM 0 H VAL A 97 -1.586 1.212 9.011 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.352 -0.078 6.832 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.595 2.693 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.904 2.553 4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.180 2.501 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.027 1.005 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.613 1.585 6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.755 0.026 6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.112 0.842 7.739 1.00 0.00 H new ATOM 1515 N TYR A 98 1.026 2.703 7.960 1.00 0.00 N ATOM 1516 CA TYR A 98 2.237 3.497 7.948 1.00 0.00 C ATOM 1517 C TYR A 98 3.427 2.633 8.320 1.00 0.00 C ATOM 1518 O TYR A 98 4.439 2.620 7.620 1.00 0.00 O ATOM 1519 CB TYR A 98 2.101 4.642 8.956 1.00 0.00 C ATOM 1520 CG TYR A 98 3.409 5.388 9.057 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.448 4.870 9.841 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.585 6.589 8.367 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.663 5.553 9.931 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.803 7.277 8.458 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.842 6.756 9.239 1.00 0.00 C ATOM 1526 OH TYR A 98 7.043 7.429 9.326 1.00 0.00 O ATOM 0 H TYR A 98 0.305 3.036 8.600 1.00 0.00 H new ATOM 0 HA TYR A 98 2.391 3.903 6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.307 5.321 8.645 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.819 4.248 9.933 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.309 3.942 10.376 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.783 6.988 7.763 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.464 5.153 10.535 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.940 8.207 7.927 1.00 0.00 H new ATOM 0 HH TYR A 98 7.001 8.245 8.785 1.00 0.00 H new ATOM 1536 N THR A 99 3.296 1.906 9.419 1.00 0.00 N ATOM 1537 CA THR A 99 4.371 1.047 9.873 1.00 0.00 C ATOM 1538 C THR A 99 4.720 0.037 8.793 1.00 0.00 C ATOM 1539 O THR A 99 5.896 -0.220 8.528 1.00 0.00 O ATOM 1540 CB THR A 99 3.961 0.311 11.152 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.423 1.243 12.080 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.184 -0.375 11.763 1.00 0.00 C ATOM 0 H THR A 99 2.462 1.895 10.007 1.00 0.00 H new ATOM 0 HA THR A 99 5.244 1.665 10.085 1.00 0.00 H new ATOM 0 HB THR A 99 3.208 -0.441 10.914 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.454 1.312 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.891 -0.898 12.673 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.595 -1.090 11.050 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.939 0.374 12.002 1.00 0.00 H new ATOM 1550 N TYR A 100 3.696 -0.530 8.162 1.00 0.00 N ATOM 1551 CA TYR A 100 3.904 -1.509 7.104 1.00 0.00 C ATOM 1552 C TYR A 100 4.644 -0.878 5.934 1.00 0.00 C ATOM 1553 O TYR A 100 5.662 -1.391 5.465 1.00 0.00 O ATOM 1554 CB TYR A 100 2.542 -1.980 6.607 1.00 0.00 C ATOM 1555 CG TYR A 100 2.732 -3.127 5.653 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.996 -2.877 4.304 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.639 -4.441 6.117 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.167 -3.944 3.415 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.809 -5.510 5.231 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.072 -5.262 3.878 1.00 0.00 C ATOM 1561 OH TYR A 100 3.243 -6.315 3.003 1.00 0.00 O ATOM 0 H TYR A 100 2.717 -0.328 8.365 1.00 0.00 H new ATOM 0 HA TYR A 100 4.491 -2.339 7.497 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.922 -2.290 7.448 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.020 -1.162 6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.068 -1.860 3.947 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.436 -4.632 7.160 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.372 -3.751 2.372 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.737 -6.526 5.590 1.00 0.00 H new ATOM 0 HH TYR A 100 3.385 -7.142 3.510 1.00 0.00 H new ATOM 1571 N ILE A 101 4.110 0.248 5.473 1.00 0.00 N ATOM 1572 CA ILE A 101 4.693 0.978 4.357 1.00 0.00 C ATOM 1573 C ILE A 101 6.119 1.379 4.711 1.00 0.00 C ATOM 1574 O ILE A 101 7.019 1.322 3.875 1.00 0.00 O ATOM 1575 CB ILE A 101 3.847 2.228 4.050 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.476 1.822 3.462 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.584 3.149 3.072 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.629 1.045 2.141 1.00 0.00 C ATOM 0 H ILE A 101 3.269 0.676 5.859 1.00 0.00 H new ATOM 0 HA ILE A 101 4.708 0.343 3.471 1.00 0.00 H new ATOM 0 HB ILE A 101 3.684 2.767 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.938 1.209 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.875 2.715 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.971 4.027 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.531 3.462 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.775 2.614 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.643 0.778 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.144 1.668 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.208 0.138 2.317 1.00 0.00 H new ATOM 1590 N GLN A 102 6.306 1.784 5.960 1.00 0.00 N ATOM 1591 CA GLN A 102 7.618 2.194 6.441 1.00 0.00 C ATOM 1592 C GLN A 102 8.655 1.118 6.160 1.00 0.00 C ATOM 1593 O GLN A 102 9.654 1.357 5.481 1.00 0.00 O ATOM 1594 CB GLN A 102 7.557 2.422 7.952 1.00 0.00 C ATOM 1595 CG GLN A 102 8.793 3.208 8.396 1.00 0.00 C ATOM 1596 CD GLN A 102 8.764 3.424 9.906 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.441 2.504 10.658 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.089 4.589 10.395 1.00 0.00 N ATOM 0 H GLN A 102 5.565 1.837 6.659 1.00 0.00 H new ATOM 0 HA GLN A 102 7.901 3.111 5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.651 2.969 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.513 1.466 8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.697 2.667 8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.825 4.170 7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.356 5.349 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.076 4.740 11.404 1.00 0.00 H new ATOM 1607 N GLU A 103 8.417 -0.066 6.704 1.00 0.00 N ATOM 1608 CA GLU A 103 9.347 -1.167 6.517 1.00 0.00 C ATOM 1609 C GLU A 103 9.473 -1.482 5.034 1.00 0.00 C ATOM 1610 O GLU A 103 10.574 -1.627 4.505 1.00 0.00 O ATOM 1611 CB GLU A 103 8.854 -2.399 7.280 1.00 0.00 C ATOM 1612 CG GLU A 103 9.942 -3.476 7.277 1.00 0.00 C ATOM 1613 CD GLU A 103 11.084 -3.063 8.200 1.00 0.00 C ATOM 1614 OE1 GLU A 103 10.913 -2.098 8.926 1.00 0.00 O ATOM 1615 OE2 GLU A 103 12.113 -3.716 8.162 1.00 0.00 O ATOM 0 H GLU A 103 7.599 -0.287 7.271 1.00 0.00 H new ATOM 0 HA GLU A 103 10.326 -0.884 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.601 -2.127 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.945 -2.785 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.524 -4.428 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.317 -3.624 6.264 1.00 0.00 H new ATOM 1622 N LEU A 104 8.333 -1.592 4.371 1.00 0.00 N ATOM 1623 CA LEU A 104 8.300 -1.900 2.950 1.00 0.00 C ATOM 1624 C LEU A 104 9.032 -0.832 2.149 1.00 0.00 C ATOM 1625 O LEU A 104 9.822 -1.138 1.259 1.00 0.00 O ATOM 1626 CB LEU A 104 6.841 -1.920 2.511 1.00 0.00 C ATOM 1627 CG LEU A 104 6.697 -2.430 1.065 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.702 -3.963 1.037 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.372 -1.918 0.487 1.00 0.00 C ATOM 0 H LEU A 104 7.414 -1.472 4.797 1.00 0.00 H new ATOM 0 HA LEU A 104 8.785 -2.861 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.266 -2.558 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.422 -0.917 2.588 1.00 0.00 H new ATOM 0 HG LEU A 104 7.535 -2.064 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.599 -4.308 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.640 -4.331 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.870 -4.340 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.260 -2.274 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.544 -2.288 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.369 -0.828 0.495 1.00 0.00 H new ATOM 1641 N TYR A 105 8.759 0.422 2.477 1.00 0.00 N ATOM 1642 CA TYR A 105 9.380 1.538 1.785 1.00 0.00 C ATOM 1643 C TYR A 105 10.884 1.387 1.823 1.00 0.00 C ATOM 1644 O TYR A 105 11.571 1.541 0.813 1.00 0.00 O ATOM 1645 CB TYR A 105 8.994 2.833 2.498 1.00 0.00 C ATOM 1646 CG TYR A 105 9.693 4.006 1.861 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.147 4.604 0.722 1.00 0.00 C ATOM 1648 CD2 TYR A 105 10.883 4.498 2.411 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.790 5.695 0.129 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.527 5.590 1.819 1.00 0.00 C ATOM 1651 CZ TYR A 105 10.980 6.188 0.679 1.00 0.00 C ATOM 1652 OH TYR A 105 11.613 7.266 0.095 1.00 0.00 O ATOM 0 H TYR A 105 8.112 0.691 3.218 1.00 0.00 H new ATOM 0 HA TYR A 105 9.043 1.560 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 105 7.914 2.975 2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.262 2.770 3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.229 4.224 0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.303 4.035 3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.370 6.157 -0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.445 5.971 2.242 1.00 0.00 H new ATOM 0 HH TYR A 105 12.424 7.482 0.601 1.00 0.00 H new ATOM 1662 N ARG A 106 11.380 1.116 3.008 1.00 0.00 N ATOM 1663 CA ARG A 106 12.804 0.969 3.212 1.00 0.00 C ATOM 1664 C ARG A 106 13.365 -0.165 2.365 1.00 0.00 C ATOM 1665 O ARG A 106 14.412 -0.011 1.738 1.00 0.00 O ATOM 1666 CB ARG A 106 13.058 0.727 4.695 1.00 0.00 C ATOM 1667 CG ARG A 106 12.788 2.032 5.447 1.00 0.00 C ATOM 1668 CD ARG A 106 12.982 1.821 6.945 1.00 0.00 C ATOM 1669 NE ARG A 106 12.725 3.068 7.661 1.00 0.00 N ATOM 1670 CZ ARG A 106 13.694 3.950 7.867 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.644 3.683 8.719 1.00 0.00 N ATOM 1672 NH2 ARG A 106 13.701 5.080 7.213 1.00 0.00 N ATOM 0 H ARG A 106 10.816 0.992 3.849 1.00 0.00 H new ATOM 0 HA ARG A 106 13.315 1.880 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.410 -0.067 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.086 0.401 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.461 2.812 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.772 2.372 5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.308 1.042 7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 106 13.998 1.480 7.144 1.00 0.00 H new ATOM 0 HE ARG A 106 11.786 3.264 8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.641 2.798 9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.390 4.360 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.960 5.286 6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.447 5.757 7.373 1.00 0.00 H new ATOM 1686 N SER A 107 12.664 -1.289 2.315 1.00 0.00 N ATOM 1687 CA SER A 107 13.129 -2.405 1.505 1.00 0.00 C ATOM 1688 C SER A 107 13.314 -1.950 0.056 1.00 0.00 C ATOM 1689 O SER A 107 14.292 -2.315 -0.598 1.00 0.00 O ATOM 1690 CB SER A 107 12.125 -3.559 1.558 1.00 0.00 C ATOM 1691 OG SER A 107 11.952 -3.972 2.906 1.00 0.00 O ATOM 0 H SER A 107 11.789 -1.451 2.814 1.00 0.00 H new ATOM 0 HA SER A 107 14.083 -2.751 1.902 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.170 -3.244 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.481 -4.393 0.953 1.00 0.00 H new ATOM 0 HG SER A 107 11.441 -3.292 3.393 1.00 0.00 H new ATOM 1697 N LEU A 108 12.370 -1.149 -0.439 1.00 0.00 N ATOM 1698 CA LEU A 108 12.436 -0.646 -1.811 1.00 0.00 C ATOM 1699 C LEU A 108 13.650 0.254 -2.002 1.00 0.00 C ATOM 1700 O LEU A 108 14.295 0.227 -3.050 1.00 0.00 O ATOM 1701 CB LEU A 108 11.189 0.174 -2.142 1.00 0.00 C ATOM 1702 CG LEU A 108 9.919 -0.676 -2.030 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.694 0.222 -2.228 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.917 -1.777 -3.098 1.00 0.00 C ATOM 0 H LEU A 108 11.554 -0.836 0.087 1.00 0.00 H new ATOM 0 HA LEU A 108 12.507 -1.512 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.120 1.025 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.273 0.576 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 108 9.889 -1.140 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.787 -0.377 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.684 0.998 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.738 0.686 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.009 -2.372 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.954 -1.323 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.787 -2.419 -2.960 1.00 0.00 H new ATOM 1716 N VAL A 109 13.936 1.077 -0.998 1.00 0.00 N ATOM 1717 CA VAL A 109 15.053 2.004 -1.085 1.00 0.00 C ATOM 1718 C VAL A 109 16.362 1.245 -1.250 1.00 0.00 C ATOM 1719 O VAL A 109 17.174 1.577 -2.116 1.00 0.00 O ATOM 1720 CB VAL A 109 15.092 2.881 0.168 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.390 3.684 0.204 1.00 0.00 C ATOM 1722 CG2 VAL A 109 13.904 3.845 0.140 1.00 0.00 C ATOM 0 H VAL A 109 13.413 1.119 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 109 14.920 2.642 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 109 15.039 2.247 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.409 4.305 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.240 3.002 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.449 4.319 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.925 4.474 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.966 4.473 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.974 3.276 0.119 1.00 0.00 H new ATOM 1732 N GLN A 110 16.561 0.220 -0.434 1.00 0.00 N ATOM 1733 CA GLN A 110 17.776 -0.572 -0.531 1.00 0.00 C ATOM 1734 C GLN A 110 17.827 -1.234 -1.898 1.00 0.00 C ATOM 1735 O GLN A 110 18.861 -1.238 -2.566 1.00 0.00 O ATOM 1736 CB GLN A 110 17.810 -1.650 0.567 1.00 0.00 C ATOM 1737 CG GLN A 110 17.184 -1.114 1.877 1.00 0.00 C ATOM 1738 CD GLN A 110 17.988 -1.574 3.096 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.987 -0.907 4.130 1.00 0.00 O ATOM 1740 NE2 GLN A 110 18.676 -2.681 3.033 1.00 0.00 N ATOM 0 H GLN A 110 15.908 -0.079 0.291 1.00 0.00 H new ATOM 0 HA GLN A 110 18.638 0.081 -0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.267 -2.534 0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.839 -1.959 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.150 -0.025 1.849 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.155 -1.463 1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.676 -3.233 2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.214 -2.994 3.841 1.00 0.00 H new ATOM 1749 N LYS A 111 16.694 -1.799 -2.299 1.00 0.00 N ATOM 1750 CA LYS A 111 16.603 -2.472 -3.588 1.00 0.00 C ATOM 1751 C LYS A 111 16.770 -1.464 -4.727 1.00 0.00 C ATOM 1752 O LYS A 111 17.002 -1.843 -5.876 1.00 0.00 O ATOM 1753 CB LYS A 111 15.248 -3.194 -3.724 1.00 0.00 C ATOM 1754 CG LYS A 111 15.189 -4.413 -2.789 1.00 0.00 C ATOM 1755 CD LYS A 111 13.831 -5.119 -2.932 1.00 0.00 C ATOM 1756 CE LYS A 111 13.829 -6.417 -2.118 1.00 0.00 C ATOM 1757 NZ LYS A 111 13.992 -6.104 -0.670 1.00 0.00 N ATOM 0 H LYS A 111 15.832 -1.805 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 111 17.403 -3.210 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.437 -2.506 -3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.101 -3.513 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.996 -5.106 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.337 -4.097 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.032 -4.462 -2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.634 -5.338 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.896 -6.957 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.637 -7.068 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.938 -6.401 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.883 -5.080 -0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.269 -6.612 -0.121 1.00 0.00 H new ATOM 1771 N GLY A 112 16.648 -0.177 -4.402 1.00 0.00 N ATOM 1772 CA GLY A 112 16.785 0.877 -5.408 1.00 0.00 C ATOM 1773 C GLY A 112 15.597 0.835 -6.353 1.00 0.00 C ATOM 1774 O GLY A 112 15.657 1.312 -7.489 1.00 0.00 O ATOM 0 H GLY A 112 16.456 0.159 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 112 16.843 1.851 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.712 0.743 -5.966 1.00 0.00 H new ATOM 1778 N LEU A 113 14.512 0.269 -5.847 1.00 0.00 N ATOM 1779 CA LEU A 113 13.272 0.153 -6.597 1.00 0.00 C ATOM 1780 C LEU A 113 12.574 1.511 -6.717 1.00 0.00 C ATOM 1781 O LEU A 113 12.157 1.909 -7.802 1.00 0.00 O ATOM 1782 CB LEU A 113 12.357 -0.847 -5.868 1.00 0.00 C ATOM 1783 CG LEU A 113 12.685 -2.290 -6.291 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.003 -3.262 -5.322 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.183 -2.557 -7.728 1.00 0.00 C ATOM 0 H LEU A 113 14.467 -0.122 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 113 13.490 -0.198 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.480 -0.742 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.314 -0.625 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 113 13.765 -2.434 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.230 -4.287 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.368 -3.084 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.924 -3.107 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.422 -3.582 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.103 -2.412 -7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.669 -1.866 -8.417 1.00 0.00 H new ATOM 1797 N VAL A 114 12.432 2.195 -5.584 1.00 0.00 N ATOM 1798 CA VAL A 114 11.752 3.491 -5.572 1.00 0.00 C ATOM 1799 C VAL A 114 12.332 4.429 -6.634 1.00 0.00 C ATOM 1800 O VAL A 114 11.657 4.762 -7.610 1.00 0.00 O ATOM 1801 CB VAL A 114 11.849 4.106 -4.148 1.00 0.00 C ATOM 1802 CG1 VAL A 114 11.779 5.641 -4.201 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.689 3.576 -3.271 1.00 0.00 C ATOM 0 H VAL A 114 12.772 1.881 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 114 10.700 3.348 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 114 12.808 3.815 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.849 6.044 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.605 6.022 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 114 10.833 5.947 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.760 4.009 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.736 3.855 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.753 2.490 -3.201 1.00 0.00 H new ATOM 1813 N LYS A 115 13.574 4.837 -6.451 1.00 0.00 N ATOM 1814 CA LYS A 115 14.231 5.732 -7.408 1.00 0.00 C ATOM 1815 C LYS A 115 14.402 5.025 -8.754 1.00 0.00 C ATOM 1816 O LYS A 115 15.464 4.474 -9.045 1.00 0.00 O ATOM 1817 CB LYS A 115 15.601 6.166 -6.868 1.00 0.00 C ATOM 1818 CG LYS A 115 15.411 7.042 -5.622 1.00 0.00 C ATOM 1819 CD LYS A 115 16.760 7.630 -5.175 1.00 0.00 C ATOM 1820 CE LYS A 115 17.611 6.558 -4.482 1.00 0.00 C ATOM 1821 NZ LYS A 115 16.817 5.906 -3.400 1.00 0.00 N ATOM 0 H LYS A 115 14.153 4.569 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 115 13.609 6.616 -7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.200 5.289 -6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.146 6.718 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.709 7.847 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.979 6.450 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.295 8.025 -6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.592 8.465 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.935 5.812 -5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.511 7.009 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.461 5.532 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.178 6.604 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.258 5.127 -3.801 1.00 0.00 H new ATOM 1835 N THR A 116 13.342 5.041 -9.565 1.00 0.00 N ATOM 1836 CA THR A 116 13.379 4.398 -10.876 1.00 0.00 C ATOM 1837 C THR A 116 14.237 5.185 -11.853 1.00 0.00 C ATOM 1838 O THR A 116 15.208 4.666 -12.401 1.00 0.00 O ATOM 1839 CB THR A 116 11.958 4.272 -11.432 1.00 0.00 C ATOM 1840 OG1 THR A 116 11.101 3.749 -10.426 1.00 0.00 O ATOM 1841 CG2 THR A 116 11.957 3.334 -12.642 1.00 0.00 C ATOM 0 H THR A 116 12.454 5.489 -9.338 1.00 0.00 H new ATOM 0 HA THR A 116 13.819 3.408 -10.753 1.00 0.00 H new ATOM 0 HB THR A 116 11.603 5.256 -11.739 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.191 3.669 -10.781 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.944 3.247 -13.034 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.612 3.736 -13.415 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.314 2.350 -12.340 1.00 0.00 H new ATOM 1849 N LYS A 117 13.864 6.435 -12.070 1.00 0.00 N ATOM 1850 CA LYS A 117 14.595 7.311 -12.994 1.00 0.00 C ATOM 1851 C LYS A 117 14.989 8.622 -12.317 1.00 0.00 C ATOM 1852 O LYS A 117 14.159 9.510 -12.127 1.00 0.00 O ATOM 1853 CB LYS A 117 13.730 7.613 -14.225 1.00 0.00 C ATOM 1854 CG LYS A 117 12.283 7.872 -13.792 1.00 0.00 C ATOM 1855 CD LYS A 117 11.436 8.182 -15.025 1.00 0.00 C ATOM 1856 CE LYS A 117 9.982 8.393 -14.601 1.00 0.00 C ATOM 1857 NZ LYS A 117 9.892 9.578 -13.702 1.00 0.00 N ATOM 0 H LYS A 117 13.059 6.874 -11.622 1.00 0.00 H new ATOM 0 HA LYS A 117 15.504 6.792 -13.300 1.00 0.00 H new ATOM 0 HB2 LYS A 117 14.123 8.482 -14.752 1.00 0.00 H new ATOM 0 HB3 LYS A 117 13.767 6.775 -14.921 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.885 7.000 -13.273 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.245 8.706 -13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.814 9.074 -15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 117 11.503 7.363 -15.741 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.354 8.541 -15.479 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.609 7.506 -14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 8.906 9.906 -13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.212 9.315 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.495 10.341 -14.071 1.00 0.00 H new ATOM 1871 N LYS A 118 16.264 8.751 -11.967 1.00 0.00 N ATOM 1872 CA LYS A 118 16.748 9.971 -11.328 1.00 0.00 C ATOM 1873 C LYS A 118 16.807 11.107 -12.351 1.00 0.00 C ATOM 1874 O LYS A 118 17.342 10.939 -13.447 1.00 0.00 O ATOM 1875 CB LYS A 118 18.139 9.721 -10.728 1.00 0.00 C ATOM 1876 CG LYS A 118 18.662 10.986 -10.033 1.00 0.00 C ATOM 1877 CD LYS A 118 20.032 10.691 -9.402 1.00 0.00 C ATOM 1878 CE LYS A 118 20.562 11.941 -8.691 1.00 0.00 C ATOM 1879 NZ LYS A 118 19.855 12.113 -7.392 1.00 0.00 N ATOM 0 H LYS A 118 16.975 8.035 -12.113 1.00 0.00 H new ATOM 0 HA LYS A 118 16.064 10.257 -10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 118 18.090 8.900 -10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 118 18.831 9.419 -11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.748 11.800 -10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 118 17.958 11.311 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 118 19.945 9.868 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.736 10.375 -10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 118 21.635 11.849 -8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 118 20.411 12.820 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 20.284 12.900 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.851 12.320 -7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 19.935 11.239 -6.835 1.00 0.00 H new ATOM 1893 N LYS A 119 16.245 12.258 -11.989 1.00 0.00 N ATOM 1894 CA LYS A 119 16.233 13.407 -12.891 1.00 0.00 C ATOM 1895 C LYS A 119 15.616 13.026 -14.231 1.00 0.00 C ATOM 1896 O LYS A 119 16.332 12.490 -15.061 1.00 0.00 O ATOM 1897 CB LYS A 119 17.661 13.915 -13.110 1.00 0.00 C ATOM 1898 CG LYS A 119 17.632 15.215 -13.921 1.00 0.00 C ATOM 1899 CD LYS A 119 19.059 15.749 -14.065 1.00 0.00 C ATOM 1900 CE LYS A 119 19.047 17.059 -14.854 1.00 0.00 C ATOM 1901 NZ LYS A 119 20.437 17.593 -14.952 1.00 0.00 N ATOM 1902 OXT LYS A 119 14.433 13.272 -14.409 1.00 0.00 O ATOM 0 H LYS A 119 15.796 12.419 -11.087 1.00 0.00 H new ATOM 0 HA LYS A 119 15.633 14.196 -12.438 1.00 0.00 H new ATOM 0 HB2 LYS A 119 18.147 14.086 -12.149 1.00 0.00 H new ATOM 0 HB3 LYS A 119 18.248 13.161 -13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 119 17.197 15.035 -14.904 1.00 0.00 H new ATOM 0 HG3 LYS A 119 17.003 15.954 -13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 119 19.497 15.911 -13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 119 19.682 15.014 -14.574 1.00 0.00 H new ATOM 0 HE2 LYS A 119 18.639 16.892 -15.851 1.00 0.00 H new ATOM 0 HE3 LYS A 119 18.400 17.786 -14.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 20.430 18.484 -15.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 20.810 17.767 -13.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 21.041 16.901 -15.439 1.00 0.00 H new TER 1916 LYS A 119