USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 842 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 15 LYS NZ :NH3+ -173:sc= 1.36 (180deg=1.32) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 9 LYS NZ :NH3+ -161:sc= 0.669 (180deg=0.449) USER MOD Set 2.2: A 10 HIS : no HE2:sc= -1.15 X(o=-0.48,f=-0.55) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.131 (180deg=-0.131) USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.561 USER MOD Single : A 7 GLN : amide:sc= -8.31! C(o=-8.3!,f=-4.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 68:sc= -2.25! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= -1.55 (180deg=-3.89!) USER MOD Single : A 23 MET CE :methyl 157:sc= -1.12 (180deg=-2.66!) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc=-0.00595 (180deg=-0.168) USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= -2.32! (180deg=-3.07!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -3.29! C(o=-3.3!,f=-13!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= -0.26 (180deg=-1.21) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.15) USER MOD Single : A 54 ASN : amide:sc= -2.03! C(o=-2!,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 59 SER OG : rot 112:sc= 0.861! USER MOD Single : A 67 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.49) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0426) USER MOD Single : A 76 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=0) USER MOD Single : A 77 TYR OH : rot 141:sc= -1.2! USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= -0.0387 (180deg=-0.405) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -168:sc= -0.445 USER MOD Single : A 82 SER OG : rot 180:sc= -0.454 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0669 USER MOD Single : A 84 ASN : amide:sc= -2.86! C(o=-2.9!,f=-10!) USER MOD Single : A 85 THR OG1 : rot -66:sc= 0.728 USER MOD Single : A 89 THR OG1 : rot -54:sc= -0.306 USER MOD Single : A 92 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.3) USER MOD Single : A 93 GLN : amide:sc= -4.52! C(o=-4.5!,f=-4.6!) USER MOD Single : A 97 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-0.5) USER MOD Single : A 103 SER OG : rot 180:sc=-0.00508 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.123 9.989 1.376 1.00 1.00 N HETATM 2 CA PCA A 1 -6.835 11.256 1.185 1.00 1.00 C HETATM 3 CB PCA A 1 -5.977 12.298 1.815 1.00 1.00 C HETATM 4 CG PCA A 1 -4.793 11.602 2.062 1.00 1.00 C HETATM 5 CD PCA A 1 -4.913 10.172 2.043 1.00 1.00 C HETATM 6 OE PCA A 1 -4.166 9.231 2.490 1.00 1.00 O HETATM 7 C PCA A 1 -7.054 11.543 -0.291 1.00 1.00 C HETATM 8 O PCA A 1 -7.704 12.506 -0.647 1.00 1.00 O HETATM 0 H2 PCA A 1 -5.987 9.817 2.393 1.00 1.00 H new HETATM 0 HA PCA A 1 -7.827 11.230 1.637 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -5.818 13.148 1.152 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -6.418 12.687 2.732 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -4.053 11.899 1.319 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.407 11.906 3.035 1.00 1.00 H new ATOM 15 N ASP A 2 -6.522 10.718 -1.151 1.00 1.00 N ATOM 16 CA ASP A 2 -6.698 10.937 -2.614 1.00 1.00 C ATOM 17 C ASP A 2 -6.223 9.686 -3.358 1.00 1.00 C ATOM 18 O ASP A 2 -5.106 9.242 -3.191 1.00 1.00 O ATOM 19 CB ASP A 2 -5.870 12.151 -3.058 1.00 1.00 C ATOM 20 CG ASP A 2 -6.684 13.432 -2.858 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.758 13.522 -3.428 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.219 14.299 -2.138 1.00 1.00 O ATOM 0 H ASP A 2 -5.970 9.897 -0.901 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.748 11.125 -2.838 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -4.945 12.203 -2.483 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.588 12.048 -4.106 1.00 1.00 H new ATOM 27 N TRP A 3 -7.066 9.108 -4.166 1.00 1.00 N ATOM 28 CA TRP A 3 -6.663 7.878 -4.905 1.00 1.00 C ATOM 29 C TRP A 3 -5.315 8.111 -5.590 1.00 1.00 C ATOM 30 O TRP A 3 -4.531 7.201 -5.756 1.00 1.00 O ATOM 31 CB TRP A 3 -7.742 7.538 -5.939 1.00 1.00 C ATOM 32 CG TRP A 3 -7.189 6.665 -7.027 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.408 6.862 -8.348 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.352 5.469 -6.927 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.756 5.878 -9.064 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.092 4.996 -8.237 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.795 4.755 -5.846 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.313 3.862 -8.466 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.010 3.614 -6.076 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.769 3.169 -7.383 1.00 1.00 C ATOM 0 H TRP A 3 -8.016 9.433 -4.347 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.560 7.043 -4.212 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.573 7.031 -5.449 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.139 8.457 -6.371 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.998 7.660 -8.773 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.764 5.811 -10.082 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.974 5.088 -4.834 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.132 3.522 -9.475 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.589 3.075 -5.240 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.163 2.291 -7.552 1.00 1.00 H new ATOM 51 N GLU A 4 -5.032 9.321 -5.985 1.00 1.00 N ATOM 52 CA GLU A 4 -3.729 9.596 -6.654 1.00 1.00 C ATOM 53 C GLU A 4 -2.586 9.269 -5.694 1.00 1.00 C ATOM 54 O GLU A 4 -1.971 8.229 -5.786 1.00 1.00 O ATOM 55 CB GLU A 4 -3.660 11.072 -7.054 1.00 1.00 C ATOM 56 CG GLU A 4 -2.333 11.349 -7.763 1.00 1.00 C ATOM 57 CD GLU A 4 -2.350 12.763 -8.344 1.00 1.00 C ATOM 58 OE1 GLU A 4 -3.092 12.986 -9.286 1.00 1.00 O ATOM 59 OE2 GLU A 4 -1.619 13.599 -7.837 1.00 1.00 O ATOM 0 H GLU A 4 -5.644 10.129 -5.874 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.640 8.977 -7.547 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.494 11.321 -7.711 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -3.751 11.704 -6.170 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -1.505 11.242 -7.062 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -2.174 10.620 -8.558 1.00 1.00 H new ATOM 66 N THR A 5 -2.294 10.144 -4.772 1.00 1.00 N ATOM 67 CA THR A 5 -1.188 9.859 -3.816 1.00 1.00 C ATOM 68 C THR A 5 -1.386 8.463 -3.230 1.00 1.00 C ATOM 69 O THR A 5 -0.479 7.656 -3.203 1.00 1.00 O ATOM 70 CB THR A 5 -1.192 10.895 -2.694 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.084 10.665 -1.835 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.492 10.786 -1.894 1.00 1.00 C ATOM 0 H THR A 5 -2.769 11.037 -4.640 1.00 1.00 H new ATOM 0 HA THR A 5 -0.232 9.908 -4.337 1.00 1.00 H new ATOM 0 HB THR A 5 -1.119 11.894 -3.124 1.00 1.00 H new ATOM 0 HG1 THR A 5 0.010 11.417 -1.213 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.490 11.527 -1.095 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.341 10.965 -2.553 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.572 9.788 -1.463 1.00 1.00 H new ATOM 80 N PHE A 6 -2.573 8.166 -2.774 1.00 1.00 N ATOM 81 CA PHE A 6 -2.830 6.814 -2.210 1.00 1.00 C ATOM 82 C PHE A 6 -2.303 5.770 -3.195 1.00 1.00 C ATOM 83 O PHE A 6 -1.976 4.659 -2.829 1.00 1.00 O ATOM 84 CB PHE A 6 -4.336 6.628 -2.012 1.00 1.00 C ATOM 85 CG PHE A 6 -4.588 5.488 -1.054 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.386 5.671 0.319 1.00 1.00 C ATOM 87 CD2 PHE A 6 -5.025 4.251 -1.540 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.622 4.615 1.205 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.260 3.195 -0.653 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.059 3.376 0.719 1.00 1.00 C ATOM 0 H PHE A 6 -3.372 8.800 -2.768 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.328 6.701 -1.249 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.777 7.546 -1.624 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.816 6.424 -2.969 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.048 6.626 0.693 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.181 4.111 -2.600 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.467 4.755 2.265 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.597 2.240 -1.028 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.241 2.561 1.404 1.00 1.00 H new ATOM 100 N GLN A 7 -2.212 6.128 -4.446 1.00 1.00 N ATOM 101 CA GLN A 7 -1.697 5.171 -5.464 1.00 1.00 C ATOM 102 C GLN A 7 -0.180 5.331 -5.573 1.00 1.00 C ATOM 103 O GLN A 7 0.515 4.464 -6.065 1.00 1.00 O ATOM 104 CB GLN A 7 -2.344 5.475 -6.822 1.00 1.00 C ATOM 105 CG GLN A 7 -2.011 4.365 -7.826 1.00 1.00 C ATOM 106 CD GLN A 7 -0.587 4.542 -8.363 1.00 1.00 C ATOM 107 OE1 GLN A 7 -0.022 3.625 -8.923 1.00 1.00 O ATOM 108 NE2 GLN A 7 0.024 5.687 -8.217 1.00 1.00 N ATOM 0 H GLN A 7 -2.473 7.045 -4.808 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.939 4.150 -5.170 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.425 5.560 -6.708 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -1.987 6.434 -7.197 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -2.107 3.391 -7.346 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.723 4.386 -8.651 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.447 6.460 -7.747 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.972 5.808 -8.573 1.00 1.00 H new ATOM 117 N LYS A 8 0.339 6.451 -5.139 1.00 1.00 N ATOM 118 CA LYS A 8 1.809 6.683 -5.248 1.00 1.00 C ATOM 119 C LYS A 8 2.552 6.182 -4.001 1.00 1.00 C ATOM 120 O LYS A 8 3.532 5.471 -4.107 1.00 1.00 O ATOM 121 CB LYS A 8 2.063 8.185 -5.410 1.00 1.00 C ATOM 122 CG LYS A 8 1.168 8.750 -6.525 1.00 1.00 C ATOM 123 CD LYS A 8 1.851 8.561 -7.882 1.00 1.00 C ATOM 124 CE LYS A 8 0.895 8.993 -8.997 1.00 1.00 C ATOM 125 NZ LYS A 8 1.642 9.082 -10.283 1.00 1.00 N ATOM 0 H LYS A 8 -0.191 7.213 -4.715 1.00 1.00 H new ATOM 0 HA LYS A 8 2.181 6.131 -6.111 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.859 8.700 -4.472 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.112 8.362 -5.649 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.202 8.245 -6.520 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.975 9.808 -6.348 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.767 9.150 -7.925 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.136 7.517 -8.016 1.00 1.00 H new ATOM 0 HE2 LYS A 8 0.077 8.278 -9.087 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.449 9.958 -8.755 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.994 9.375 -11.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.407 9.780 -10.192 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 2.047 8.152 -10.514 1.00 1.00 H new ATOM 139 N LYS A 9 2.130 6.568 -2.826 1.00 1.00 N ATOM 140 CA LYS A 9 2.861 6.129 -1.598 1.00 1.00 C ATOM 141 C LYS A 9 2.422 4.727 -1.145 1.00 1.00 C ATOM 142 O LYS A 9 3.244 3.860 -0.935 1.00 1.00 O ATOM 143 CB LYS A 9 2.604 7.133 -0.467 1.00 1.00 C ATOM 144 CG LYS A 9 1.172 7.674 -0.558 1.00 1.00 C ATOM 145 CD LYS A 9 0.734 8.197 0.814 1.00 1.00 C ATOM 146 CE LYS A 9 -0.628 8.883 0.697 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.283 8.921 2.035 1.00 1.00 N ATOM 0 H LYS A 9 1.318 7.163 -2.662 1.00 1.00 H new ATOM 0 HA LYS A 9 3.924 6.088 -1.836 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.759 6.652 0.499 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.317 7.955 -0.531 1.00 1.00 H new ATOM 0 HG2 LYS A 9 1.120 8.474 -1.297 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.495 6.887 -0.892 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.677 7.373 1.526 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.473 8.900 1.198 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.505 9.895 0.312 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.258 8.346 -0.013 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.304 9.080 1.917 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.128 8.016 2.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.875 9.693 2.599 1.00 1.00 H new ATOM 161 N HIS A 10 1.150 4.499 -0.966 1.00 1.00 N ATOM 162 CA HIS A 10 0.695 3.156 -0.491 1.00 1.00 C ATOM 163 C HIS A 10 0.873 2.096 -1.576 1.00 1.00 C ATOM 164 O HIS A 10 0.962 0.933 -1.274 1.00 1.00 O ATOM 165 CB HIS A 10 -0.780 3.225 -0.089 1.00 1.00 C ATOM 166 CG HIS A 10 -0.912 3.987 1.201 1.00 1.00 C ATOM 167 ND1 HIS A 10 -0.832 3.363 2.440 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.113 5.319 1.463 1.00 1.00 C ATOM 169 CE1 HIS A 10 -0.984 4.313 3.381 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.157 5.518 2.839 1.00 1.00 N ATOM 0 H HIS A 10 0.407 5.179 -1.126 1.00 1.00 H new ATOM 0 HA HIS A 10 1.305 2.876 0.368 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.359 3.713 -0.873 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.184 2.219 0.027 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -0.685 2.367 2.606 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -1.220 6.092 0.717 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -0.968 4.122 4.444 1.00 1.00 H new ATOM 179 N LEU A 11 0.912 2.463 -2.827 1.00 1.00 N ATOM 180 CA LEU A 11 1.069 1.421 -3.893 1.00 1.00 C ATOM 181 C LEU A 11 2.408 1.586 -4.609 1.00 1.00 C ATOM 182 O LEU A 11 2.933 2.675 -4.727 1.00 1.00 O ATOM 183 CB LEU A 11 -0.065 1.560 -4.912 1.00 1.00 C ATOM 184 CG LEU A 11 -1.244 0.684 -4.491 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.703 1.080 -3.085 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.393 0.873 -5.478 1.00 1.00 C ATOM 0 H LEU A 11 0.843 3.425 -3.159 1.00 1.00 H new ATOM 0 HA LEU A 11 1.035 0.436 -3.427 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.379 2.601 -4.981 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.284 1.266 -5.902 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.937 -0.362 -4.487 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.544 0.454 -2.787 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.881 0.943 -2.382 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.011 2.126 -3.084 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.235 0.249 -5.180 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.700 1.919 -5.483 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.065 0.586 -6.477 1.00 1.00 H new ATOM 198 N THR A 12 2.952 0.504 -5.104 1.00 1.00 N ATOM 199 CA THR A 12 4.252 0.583 -5.837 1.00 1.00 C ATOM 200 C THR A 12 4.146 -0.229 -7.129 1.00 1.00 C ATOM 201 O THR A 12 3.071 -0.625 -7.532 1.00 1.00 O ATOM 202 CB THR A 12 5.383 0.027 -4.968 1.00 1.00 C ATOM 203 OG1 THR A 12 6.535 -0.166 -5.776 1.00 1.00 O ATOM 204 CG2 THR A 12 4.967 -1.312 -4.344 1.00 1.00 C ATOM 0 H THR A 12 2.552 -0.432 -5.032 1.00 1.00 H new ATOM 0 HA THR A 12 4.472 1.624 -6.072 1.00 1.00 H new ATOM 0 HB THR A 12 5.601 0.734 -4.168 1.00 1.00 H new ATOM 0 HG1 THR A 12 6.883 0.704 -6.063 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.781 -1.695 -3.729 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.082 -1.165 -3.725 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.742 -2.028 -5.135 1.00 1.00 H new ATOM 212 N ASP A 13 5.250 -0.467 -7.791 1.00 1.00 N ATOM 213 CA ASP A 13 5.205 -1.239 -9.070 1.00 1.00 C ATOM 214 C ASP A 13 6.057 -2.509 -8.967 1.00 1.00 C ATOM 215 O ASP A 13 6.386 -3.115 -9.968 1.00 1.00 O ATOM 216 CB ASP A 13 5.744 -0.365 -10.204 1.00 1.00 C ATOM 217 CG ASP A 13 7.109 0.202 -9.807 1.00 1.00 C ATOM 218 OD1 ASP A 13 8.009 -0.587 -9.569 1.00 1.00 O ATOM 219 OD2 ASP A 13 7.231 1.414 -9.748 1.00 1.00 O ATOM 0 H ASP A 13 6.179 -0.161 -7.502 1.00 1.00 H new ATOM 0 HA ASP A 13 4.172 -1.524 -9.270 1.00 1.00 H new ATOM 0 HB2 ASP A 13 5.834 -0.952 -11.118 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.048 0.447 -10.414 1.00 1.00 H new ATOM 224 N THR A 14 6.424 -2.929 -7.784 1.00 1.00 N ATOM 225 CA THR A 14 7.254 -4.165 -7.678 1.00 1.00 C ATOM 226 C THR A 14 7.051 -4.823 -6.311 1.00 1.00 C ATOM 227 O THR A 14 6.805 -4.162 -5.321 1.00 1.00 O ATOM 228 CB THR A 14 8.729 -3.801 -7.854 1.00 1.00 C ATOM 229 OG1 THR A 14 9.516 -4.983 -7.804 1.00 1.00 O ATOM 230 CG2 THR A 14 9.156 -2.853 -6.734 1.00 1.00 C ATOM 0 H THR A 14 6.189 -2.478 -6.900 1.00 1.00 H new ATOM 0 HA THR A 14 6.951 -4.865 -8.456 1.00 1.00 H new ATOM 0 HB THR A 14 8.872 -3.311 -8.817 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.461 -4.752 -7.918 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.207 -2.593 -6.858 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.551 -1.947 -6.774 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.015 -3.342 -5.770 1.00 1.00 H new ATOM 238 N LYS A 15 7.163 -6.123 -6.252 1.00 1.00 N ATOM 239 CA LYS A 15 6.988 -6.831 -4.954 1.00 1.00 C ATOM 240 C LYS A 15 8.215 -6.572 -4.077 1.00 1.00 C ATOM 241 O LYS A 15 8.220 -6.858 -2.897 1.00 1.00 O ATOM 242 CB LYS A 15 6.840 -8.339 -5.206 1.00 1.00 C ATOM 243 CG LYS A 15 7.619 -8.737 -6.469 1.00 1.00 C ATOM 244 CD LYS A 15 6.721 -8.595 -7.708 1.00 1.00 C ATOM 245 CE LYS A 15 5.924 -9.886 -7.918 1.00 1.00 C ATOM 246 NZ LYS A 15 5.045 -9.737 -9.113 1.00 1.00 N ATOM 0 H LYS A 15 7.369 -6.725 -7.049 1.00 1.00 H new ATOM 0 HA LYS A 15 6.093 -6.465 -4.451 1.00 1.00 H new ATOM 0 HB2 LYS A 15 7.212 -8.898 -4.347 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.787 -8.596 -5.322 1.00 1.00 H new ATOM 0 HG2 LYS A 15 8.502 -8.106 -6.575 1.00 1.00 H new ATOM 0 HG3 LYS A 15 7.970 -9.765 -6.380 1.00 1.00 H new ATOM 0 HD2 LYS A 15 6.041 -7.753 -7.582 1.00 1.00 H new ATOM 0 HD3 LYS A 15 7.329 -8.384 -8.588 1.00 1.00 H new ATOM 0 HE2 LYS A 15 6.603 -10.727 -8.055 1.00 1.00 H new ATOM 0 HE3 LYS A 15 5.322 -10.103 -7.035 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 4.418 -10.564 -9.188 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 4.471 -8.875 -9.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 5.632 -9.668 -9.969 1.00 1.00 H new ATOM 260 N LYS A 16 9.258 -6.034 -4.654 1.00 1.00 N ATOM 261 CA LYS A 16 10.496 -5.747 -3.871 1.00 1.00 C ATOM 262 C LYS A 16 10.856 -4.269 -4.034 1.00 1.00 C ATOM 263 O LYS A 16 11.885 -3.927 -4.582 1.00 1.00 O ATOM 264 CB LYS A 16 11.638 -6.614 -4.405 1.00 1.00 C ATOM 265 CG LYS A 16 11.285 -8.095 -4.228 1.00 1.00 C ATOM 266 CD LYS A 16 12.014 -8.930 -5.284 1.00 1.00 C ATOM 267 CE LYS A 16 12.014 -10.402 -4.865 1.00 1.00 C ATOM 268 NZ LYS A 16 12.329 -11.254 -6.047 1.00 1.00 N ATOM 0 H LYS A 16 9.305 -5.780 -5.641 1.00 1.00 H new ATOM 0 HA LYS A 16 10.332 -5.970 -2.817 1.00 1.00 H new ATOM 0 HB2 LYS A 16 11.813 -6.395 -5.458 1.00 1.00 H new ATOM 0 HB3 LYS A 16 12.562 -6.384 -3.874 1.00 1.00 H new ATOM 0 HG2 LYS A 16 11.566 -8.429 -3.229 1.00 1.00 H new ATOM 0 HG3 LYS A 16 10.208 -8.235 -4.320 1.00 1.00 H new ATOM 0 HD2 LYS A 16 11.526 -8.817 -6.252 1.00 1.00 H new ATOM 0 HD3 LYS A 16 13.038 -8.575 -5.400 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.749 -10.567 -4.078 1.00 1.00 H new ATOM 0 HE3 LYS A 16 11.041 -10.675 -4.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 12.329 -12.255 -5.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 11.612 -11.103 -6.785 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 13.266 -10.999 -6.419 1.00 1.00 H new ATOM 282 N VAL A 17 10.011 -3.389 -3.567 1.00 1.00 N ATOM 283 CA VAL A 17 10.301 -1.934 -3.703 1.00 1.00 C ATOM 284 C VAL A 17 11.685 -1.624 -3.167 1.00 1.00 C ATOM 285 O VAL A 17 12.333 -2.449 -2.553 1.00 1.00 O ATOM 286 CB VAL A 17 9.287 -1.118 -2.901 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.883 -1.394 -3.423 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.372 -1.506 -1.420 1.00 1.00 C ATOM 0 H VAL A 17 9.134 -3.615 -3.098 1.00 1.00 H new ATOM 0 HA VAL A 17 10.241 -1.674 -4.760 1.00 1.00 H new ATOM 0 HB VAL A 17 9.510 -0.056 -3.009 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.161 -0.812 -2.850 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.824 -1.113 -4.474 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.658 -2.455 -3.318 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.649 -0.924 -0.849 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.152 -2.568 -1.309 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.376 -1.303 -1.048 1.00 1.00 H new ATOM 298 N LYS A 18 12.128 -0.421 -3.376 1.00 1.00 N ATOM 299 CA LYS A 18 13.459 -0.015 -2.862 1.00 1.00 C ATOM 300 C LYS A 18 13.239 0.778 -1.578 1.00 1.00 C ATOM 301 O LYS A 18 13.480 1.965 -1.518 1.00 1.00 O ATOM 302 CB LYS A 18 14.173 0.853 -3.902 1.00 1.00 C ATOM 303 CG LYS A 18 13.147 1.723 -4.632 1.00 1.00 C ATOM 304 CD LYS A 18 13.870 2.703 -5.561 1.00 1.00 C ATOM 305 CE LYS A 18 14.660 1.928 -6.620 1.00 1.00 C ATOM 306 NZ LYS A 18 16.003 1.574 -6.079 1.00 1.00 N ATOM 0 H LYS A 18 11.621 0.304 -3.885 1.00 1.00 H new ATOM 0 HA LYS A 18 14.078 -0.890 -2.664 1.00 1.00 H new ATOM 0 HB2 LYS A 18 14.919 1.482 -3.416 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.704 0.222 -4.615 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.467 1.095 -5.208 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.541 2.271 -3.910 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.148 3.362 -6.043 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.543 3.337 -4.983 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.120 1.024 -6.902 1.00 1.00 H new ATOM 0 HE3 LYS A 18 14.767 2.530 -7.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 16.741 1.942 -6.713 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 16.118 1.993 -5.134 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 16.089 0.540 -6.012 1.00 1.00 H new ATOM 320 N CYS A 19 12.753 0.122 -0.558 1.00 1.00 N ATOM 321 CA CYS A 19 12.475 0.808 0.735 1.00 1.00 C ATOM 322 C CYS A 19 13.496 1.927 0.988 1.00 1.00 C ATOM 323 O CYS A 19 13.166 2.975 1.510 1.00 1.00 O ATOM 324 CB CYS A 19 12.559 -0.214 1.869 1.00 1.00 C ATOM 325 SG CYS A 19 11.063 -1.228 1.874 1.00 1.00 S ATOM 0 H CYS A 19 12.534 -0.874 -0.568 1.00 1.00 H new ATOM 0 HA CYS A 19 11.479 1.248 0.693 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.439 -0.845 1.741 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.669 0.296 2.826 1.00 1.00 H new ATOM 330 N ASP A 20 14.730 1.709 0.622 1.00 1.00 N ATOM 331 CA ASP A 20 15.773 2.750 0.845 1.00 1.00 C ATOM 332 C ASP A 20 15.263 4.096 0.338 1.00 1.00 C ATOM 333 O ASP A 20 15.428 5.117 0.975 1.00 1.00 O ATOM 334 CB ASP A 20 17.046 2.368 0.086 1.00 1.00 C ATOM 335 CG ASP A 20 18.198 3.271 0.533 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.277 4.385 0.042 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.982 2.831 1.358 1.00 1.00 O ATOM 0 H ASP A 20 15.061 0.853 0.177 1.00 1.00 H new ATOM 0 HA ASP A 20 15.993 2.822 1.910 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.295 1.324 0.274 1.00 1.00 H new ATOM 0 HB3 ASP A 20 16.886 2.469 -0.987 1.00 1.00 H new ATOM 342 N VAL A 21 14.628 4.101 -0.799 1.00 1.00 N ATOM 343 CA VAL A 21 14.089 5.372 -1.355 1.00 1.00 C ATOM 344 C VAL A 21 12.576 5.404 -1.129 1.00 1.00 C ATOM 345 O VAL A 21 11.999 6.440 -0.879 1.00 1.00 O ATOM 346 CB VAL A 21 14.393 5.430 -2.855 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.459 6.887 -3.327 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.738 4.751 -3.128 1.00 1.00 C ATOM 0 H VAL A 21 14.458 3.274 -1.371 1.00 1.00 H new ATOM 0 HA VAL A 21 14.550 6.228 -0.862 1.00 1.00 H new ATOM 0 HB VAL A 21 13.599 4.915 -3.396 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.676 6.914 -4.395 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.502 7.374 -3.138 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.246 7.410 -2.784 1.00 1.00 H new ATOM 0 HG21 VAL A 21 15.956 4.791 -4.195 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.524 5.267 -2.577 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.692 3.711 -2.806 1.00 1.00 H new ATOM 358 N GLU A 22 11.932 4.267 -1.191 1.00 1.00 N ATOM 359 CA GLU A 22 10.461 4.235 -0.961 1.00 1.00 C ATOM 360 C GLU A 22 10.167 4.908 0.383 1.00 1.00 C ATOM 361 O GLU A 22 9.031 5.168 0.728 1.00 1.00 O ATOM 362 CB GLU A 22 9.973 2.777 -0.941 1.00 1.00 C ATOM 363 CG GLU A 22 8.765 2.618 -1.870 1.00 1.00 C ATOM 364 CD GLU A 22 7.666 3.598 -1.454 1.00 1.00 C ATOM 365 OE1 GLU A 22 7.440 3.732 -0.262 1.00 1.00 O ATOM 366 OE2 GLU A 22 7.070 4.196 -2.333 1.00 1.00 O ATOM 0 H GLU A 22 12.361 3.364 -1.390 1.00 1.00 H new ATOM 0 HA GLU A 22 9.942 4.764 -1.760 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.776 2.111 -1.257 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.702 2.489 0.075 1.00 1.00 H new ATOM 0 HG2 GLU A 22 9.060 2.804 -2.903 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.391 1.595 -1.825 1.00 1.00 H new ATOM 373 N MET A 23 11.196 5.192 1.136 1.00 1.00 N ATOM 374 CA MET A 23 11.015 5.852 2.464 1.00 1.00 C ATOM 375 C MET A 23 11.908 7.089 2.542 1.00 1.00 C ATOM 376 O MET A 23 11.480 8.152 2.943 1.00 1.00 O ATOM 377 CB MET A 23 11.414 4.886 3.577 1.00 1.00 C ATOM 378 CG MET A 23 10.554 3.627 3.504 1.00 1.00 C ATOM 379 SD MET A 23 11.114 2.453 4.761 1.00 1.00 S ATOM 380 CE MET A 23 10.703 3.456 6.211 1.00 1.00 C ATOM 0 H MET A 23 12.165 4.993 0.886 1.00 1.00 H new ATOM 0 HA MET A 23 9.970 6.138 2.582 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.468 4.623 3.482 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.291 5.365 4.548 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.506 3.878 3.665 1.00 1.00 H new ATOM 0 HG3 MET A 23 10.626 3.179 2.513 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.577 2.808 7.078 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.508 4.166 6.403 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.776 4.000 6.027 1.00 1.00 H new ATOM 390 N ALA A 24 13.152 6.961 2.168 1.00 1.00 N ATOM 391 CA ALA A 24 14.064 8.135 2.229 1.00 1.00 C ATOM 392 C ALA A 24 13.601 9.178 1.213 1.00 1.00 C ATOM 393 O ALA A 24 14.231 10.200 1.023 1.00 1.00 O ATOM 394 CB ALA A 24 15.492 7.690 1.909 1.00 1.00 C ATOM 0 H ALA A 24 13.573 6.098 1.825 1.00 1.00 H new ATOM 0 HA ALA A 24 14.045 8.569 3.229 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.160 8.550 1.954 1.00 1.00 H new ATOM 0 HB2 ALA A 24 15.812 6.944 2.636 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.523 7.258 0.909 1.00 1.00 H new ATOM 400 N LYS A 25 12.496 8.926 0.563 1.00 1.00 N ATOM 401 CA LYS A 25 11.974 9.899 -0.440 1.00 1.00 C ATOM 402 C LYS A 25 11.846 11.278 0.214 1.00 1.00 C ATOM 403 O LYS A 25 12.344 11.515 1.296 1.00 1.00 O ATOM 404 CB LYS A 25 10.585 9.441 -0.915 1.00 1.00 C ATOM 405 CG LYS A 25 10.710 8.583 -2.184 1.00 1.00 C ATOM 406 CD LYS A 25 9.714 7.421 -2.127 1.00 1.00 C ATOM 407 CE LYS A 25 8.301 7.941 -2.395 1.00 1.00 C ATOM 408 NZ LYS A 25 8.138 8.207 -3.852 1.00 1.00 N ATOM 0 H LYS A 25 11.931 8.086 0.684 1.00 1.00 H new ATOM 0 HA LYS A 25 12.657 9.952 -1.288 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.095 8.868 -0.128 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.957 10.309 -1.116 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.520 9.194 -3.067 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.726 8.199 -2.275 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.980 6.665 -2.865 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.756 6.941 -1.149 1.00 1.00 H new ATOM 0 HE2 LYS A 25 7.564 7.210 -2.063 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.124 8.853 -1.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 7.126 8.279 -4.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.613 9.099 -4.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.561 7.429 -4.396 1.00 1.00 H new ATOM 422 N ALA A 26 11.164 12.184 -0.433 1.00 1.00 N ATOM 423 CA ALA A 26 10.979 13.545 0.146 1.00 1.00 C ATOM 424 C ALA A 26 9.577 13.647 0.747 1.00 1.00 C ATOM 425 O ALA A 26 9.270 14.569 1.478 1.00 1.00 O ATOM 426 CB ALA A 26 11.135 14.592 -0.958 1.00 1.00 C ATOM 0 H ALA A 26 10.725 12.039 -1.342 1.00 1.00 H new ATOM 0 HA ALA A 26 11.725 13.720 0.921 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.000 15.588 -0.536 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.131 14.515 -1.395 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.386 14.420 -1.731 1.00 1.00 H new ATOM 432 N LEU A 27 8.719 12.704 0.447 1.00 1.00 N ATOM 433 CA LEU A 27 7.334 12.747 1.003 1.00 1.00 C ATOM 434 C LEU A 27 7.263 11.875 2.259 1.00 1.00 C ATOM 435 O LEU A 27 6.246 11.802 2.919 1.00 1.00 O ATOM 436 CB LEU A 27 6.341 12.242 -0.058 1.00 1.00 C ATOM 437 CG LEU A 27 6.278 10.701 -0.055 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.289 10.198 1.016 1.00 1.00 C ATOM 439 CD2 LEU A 27 5.824 10.210 -1.436 1.00 1.00 C ATOM 0 H LEU A 27 8.919 11.908 -0.158 1.00 1.00 H new ATOM 0 HA LEU A 27 7.073 13.771 1.270 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.350 12.652 0.139 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.642 12.597 -1.044 1.00 1.00 H new ATOM 0 HG LEU A 27 7.269 10.311 0.174 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.260 9.108 1.001 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.613 10.539 1.999 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.294 10.591 0.806 1.00 1.00 H new ATOM 0 HD21 LEU A 27 5.778 9.121 -1.438 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.837 10.615 -1.660 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.534 10.545 -2.193 1.00 1.00 H new ATOM 451 N PHE A 28 8.343 11.216 2.596 1.00 1.00 N ATOM 452 CA PHE A 28 8.355 10.346 3.812 1.00 1.00 C ATOM 453 C PHE A 28 9.393 10.876 4.807 1.00 1.00 C ATOM 454 O PHE A 28 9.135 10.972 5.989 1.00 1.00 O ATOM 455 CB PHE A 28 8.718 8.911 3.407 1.00 1.00 C ATOM 456 CG PHE A 28 7.463 8.133 3.076 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.496 7.911 4.064 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.268 7.632 1.782 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.335 7.190 3.760 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.106 6.911 1.478 1.00 1.00 C ATOM 461 CZ PHE A 28 5.141 6.690 2.467 1.00 1.00 C ATOM 0 H PHE A 28 9.222 11.243 2.078 1.00 1.00 H new ATOM 0 HA PHE A 28 7.369 10.354 4.278 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.385 8.925 2.545 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.256 8.421 4.218 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.646 8.296 5.062 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.013 7.802 1.019 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.590 7.020 4.523 1.00 1.00 H new ATOM 0 HE2 PHE A 28 5.955 6.526 0.480 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.246 6.133 2.233 1.00 1.00 H new ATOM 471 N ASP A 29 10.562 11.221 4.335 1.00 1.00 N ATOM 472 CA ASP A 29 11.628 11.749 5.242 1.00 1.00 C ATOM 473 C ASP A 29 12.358 10.586 5.924 1.00 1.00 C ATOM 474 O ASP A 29 12.738 10.668 7.075 1.00 1.00 O ATOM 475 CB ASP A 29 11.006 12.668 6.306 1.00 1.00 C ATOM 476 CG ASP A 29 12.006 13.757 6.699 1.00 1.00 C ATOM 477 OD1 ASP A 29 13.081 13.410 7.158 1.00 1.00 O ATOM 478 OD2 ASP A 29 11.680 14.922 6.534 1.00 1.00 O ATOM 0 H ASP A 29 10.828 11.160 3.352 1.00 1.00 H new ATOM 0 HA ASP A 29 12.342 12.322 4.651 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.094 13.122 5.919 1.00 1.00 H new ATOM 0 HB3 ASP A 29 10.725 12.086 7.183 1.00 1.00 H new ATOM 483 N CYS A 30 12.565 9.508 5.218 1.00 1.00 N ATOM 484 CA CYS A 30 13.282 8.342 5.817 1.00 1.00 C ATOM 485 C CYS A 30 12.633 7.961 7.158 1.00 1.00 C ATOM 486 O CYS A 30 13.213 8.129 8.212 1.00 1.00 O ATOM 487 CB CYS A 30 14.762 8.716 6.025 1.00 1.00 C ATOM 488 SG CYS A 30 15.824 7.605 5.064 1.00 1.00 S ATOM 0 H CYS A 30 12.269 9.382 4.250 1.00 1.00 H new ATOM 0 HA CYS A 30 13.217 7.485 5.147 1.00 1.00 H new ATOM 0 HB2 CYS A 30 14.931 9.749 5.719 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.017 8.651 7.083 1.00 1.00 H new ATOM 493 N LYS A 31 11.433 7.445 7.127 1.00 1.00 N ATOM 494 CA LYS A 31 10.758 7.051 8.398 1.00 1.00 C ATOM 495 C LYS A 31 11.482 5.849 9.012 1.00 1.00 C ATOM 496 O LYS A 31 12.693 5.764 8.987 1.00 1.00 O ATOM 497 CB LYS A 31 9.303 6.663 8.111 1.00 1.00 C ATOM 498 CG LYS A 31 8.602 7.770 7.312 1.00 1.00 C ATOM 499 CD LYS A 31 8.586 9.089 8.098 1.00 1.00 C ATOM 500 CE LYS A 31 8.027 8.866 9.507 1.00 1.00 C ATOM 501 NZ LYS A 31 6.896 7.896 9.449 1.00 1.00 N ATOM 0 H LYS A 31 10.892 7.280 6.278 1.00 1.00 H new ATOM 0 HA LYS A 31 10.784 7.892 9.091 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.273 5.728 7.552 1.00 1.00 H new ATOM 0 HB3 LYS A 31 8.774 6.492 9.048 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.113 7.916 6.360 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.581 7.467 7.082 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.596 9.494 8.161 1.00 1.00 H new ATOM 0 HD3 LYS A 31 7.979 9.826 7.572 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.810 8.488 10.164 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.687 9.812 9.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 6.228 8.096 10.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.407 7.987 8.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.263 6.928 9.551 1.00 1.00 H new ATOM 515 N LYS A 32 10.743 4.920 9.561 1.00 1.00 N ATOM 516 CA LYS A 32 11.374 3.715 10.179 1.00 1.00 C ATOM 517 C LYS A 32 10.597 2.465 9.752 1.00 1.00 C ATOM 518 O LYS A 32 11.158 1.400 9.585 1.00 1.00 O ATOM 519 CB LYS A 32 11.334 3.841 11.703 1.00 1.00 C ATOM 520 CG LYS A 32 9.884 3.990 12.166 1.00 1.00 C ATOM 521 CD LYS A 32 9.853 4.298 13.666 1.00 1.00 C ATOM 522 CE LYS A 32 10.480 3.138 14.445 1.00 1.00 C ATOM 523 NZ LYS A 32 9.984 3.160 15.851 1.00 1.00 N ATOM 0 H LYS A 32 9.724 4.944 9.608 1.00 1.00 H new ATOM 0 HA LYS A 32 12.410 3.636 9.849 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.785 2.962 12.163 1.00 1.00 H new ATOM 0 HB3 LYS A 32 11.919 4.703 12.022 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.394 4.790 11.610 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.330 3.074 11.961 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.397 5.221 13.869 1.00 1.00 H new ATOM 0 HD3 LYS A 32 8.825 4.455 13.994 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.226 2.189 13.973 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.567 3.221 14.430 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.409 2.373 16.381 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.248 4.061 16.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 8.949 3.061 15.855 1.00 1.00 H new ATOM 537 N THR A 33 9.311 2.594 9.567 1.00 1.00 N ATOM 538 CA THR A 33 8.482 1.427 9.140 1.00 1.00 C ATOM 539 C THR A 33 7.574 1.872 7.995 1.00 1.00 C ATOM 540 O THR A 33 7.129 3.003 7.953 1.00 1.00 O ATOM 541 CB THR A 33 7.628 0.948 10.315 1.00 1.00 C ATOM 542 OG1 THR A 33 6.866 -0.183 9.915 1.00 1.00 O ATOM 543 CG2 THR A 33 6.686 2.069 10.756 1.00 1.00 C ATOM 0 H THR A 33 8.794 3.464 9.694 1.00 1.00 H new ATOM 0 HA THR A 33 9.125 0.610 8.812 1.00 1.00 H new ATOM 0 HB THR A 33 8.277 0.674 11.147 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.320 -0.492 10.668 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.078 1.725 11.593 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.271 2.936 11.064 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.036 2.346 9.926 1.00 1.00 H new ATOM 551 N ASN A 34 7.299 1.009 7.053 1.00 1.00 N ATOM 552 CA ASN A 34 6.427 1.425 5.918 1.00 1.00 C ATOM 553 C ASN A 34 5.767 0.202 5.273 1.00 1.00 C ATOM 554 O ASN A 34 6.285 -0.895 5.315 1.00 1.00 O ATOM 555 CB ASN A 34 7.280 2.153 4.875 1.00 1.00 C ATOM 556 CG ASN A 34 6.403 3.114 4.071 1.00 1.00 C ATOM 557 OD1 ASN A 34 5.286 2.788 3.721 1.00 1.00 O ATOM 558 ND2 ASN A 34 6.864 4.295 3.763 1.00 1.00 N ATOM 0 H ASN A 34 7.636 0.047 7.020 1.00 1.00 H new ATOM 0 HA ASN A 34 5.646 2.086 6.292 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.082 2.703 5.367 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.751 1.431 4.208 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.287 4.944 3.229 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.802 4.569 4.057 1.00 1.00 H new ATOM 565 N THR A 35 4.622 0.397 4.673 1.00 1.00 N ATOM 566 CA THR A 35 3.909 -0.734 4.012 1.00 1.00 C ATOM 567 C THR A 35 3.325 -0.246 2.682 1.00 1.00 C ATOM 568 O THR A 35 3.040 0.924 2.513 1.00 1.00 O ATOM 569 CB THR A 35 2.777 -1.222 4.921 1.00 1.00 C ATOM 570 OG1 THR A 35 3.333 -1.863 6.060 1.00 1.00 O ATOM 571 CG2 THR A 35 1.891 -2.210 4.159 1.00 1.00 C ATOM 0 H THR A 35 4.148 1.298 4.613 1.00 1.00 H new ATOM 0 HA THR A 35 4.604 -1.554 3.830 1.00 1.00 H new ATOM 0 HB THR A 35 2.174 -0.371 5.238 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.611 -2.175 6.645 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.087 -2.554 4.810 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.465 -1.717 3.285 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.489 -3.063 3.839 1.00 1.00 H new ATOM 579 N PHE A 36 3.130 -1.131 1.741 1.00 1.00 N ATOM 580 CA PHE A 36 2.548 -0.708 0.429 1.00 1.00 C ATOM 581 C PHE A 36 1.762 -1.879 -0.163 1.00 1.00 C ATOM 582 O PHE A 36 1.700 -2.939 0.420 1.00 1.00 O ATOM 583 CB PHE A 36 3.653 -0.310 -0.559 1.00 1.00 C ATOM 584 CG PHE A 36 4.862 0.234 0.164 1.00 1.00 C ATOM 585 CD1 PHE A 36 4.896 1.571 0.565 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.963 -0.596 0.404 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.028 2.080 1.209 1.00 1.00 C ATOM 588 CE2 PHE A 36 7.095 -0.088 1.041 1.00 1.00 C ATOM 589 CZ PHE A 36 7.130 1.248 1.444 1.00 1.00 C ATOM 0 H PHE A 36 3.347 -2.125 1.821 1.00 1.00 H new ATOM 0 HA PHE A 36 1.899 0.152 0.597 1.00 1.00 H new ATOM 0 HB2 PHE A 36 3.941 -1.176 -1.154 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.272 0.440 -1.252 1.00 1.00 H new ATOM 0 HD1 PHE A 36 4.048 2.212 0.378 1.00 1.00 H new ATOM 0 HD2 PHE A 36 5.936 -1.631 0.096 1.00 1.00 H new ATOM 0 HE1 PHE A 36 6.053 3.113 1.525 1.00 1.00 H new ATOM 0 HE2 PHE A 36 7.945 -0.729 1.223 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.007 1.640 1.937 1.00 1.00 H new ATOM 599 N ILE A 37 1.159 -1.696 -1.314 1.00 1.00 N ATOM 600 CA ILE A 37 0.375 -2.797 -1.944 1.00 1.00 C ATOM 601 C ILE A 37 0.843 -2.994 -3.390 1.00 1.00 C ATOM 602 O ILE A 37 0.999 -2.042 -4.140 1.00 1.00 O ATOM 603 CB ILE A 37 -1.115 -2.429 -1.933 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.558 -2.052 -0.502 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.936 -3.626 -2.423 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.639 -0.966 -0.549 1.00 1.00 C ATOM 0 H ILE A 37 1.179 -0.825 -1.844 1.00 1.00 H new ATOM 0 HA ILE A 37 0.527 -3.721 -1.385 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.278 -1.576 -2.591 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.941 -2.934 0.012 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.701 -1.697 0.070 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.995 -3.368 -2.416 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.632 -3.885 -3.437 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.766 -4.478 -1.765 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.942 -0.710 0.466 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.243 -0.079 -1.044 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.502 -1.335 -1.103 1.00 1.00 H new ATOM 618 N TYR A 38 1.070 -4.223 -3.790 1.00 1.00 N ATOM 619 CA TYR A 38 1.519 -4.476 -5.194 1.00 1.00 C ATOM 620 C TYR A 38 0.307 -4.858 -6.048 1.00 1.00 C ATOM 621 O TYR A 38 -0.177 -5.970 -5.991 1.00 1.00 O ATOM 622 CB TYR A 38 2.535 -5.620 -5.222 1.00 1.00 C ATOM 623 CG TYR A 38 2.908 -5.927 -6.653 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.570 -4.965 -7.424 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.589 -7.173 -7.210 1.00 1.00 C ATOM 626 CE1 TYR A 38 3.914 -5.247 -8.752 1.00 1.00 C ATOM 627 CE2 TYR A 38 2.934 -7.454 -8.537 1.00 1.00 C ATOM 628 CZ TYR A 38 3.596 -6.491 -9.308 1.00 1.00 C ATOM 629 OH TYR A 38 3.936 -6.769 -10.617 1.00 1.00 O ATOM 0 H TYR A 38 0.965 -5.055 -3.209 1.00 1.00 H new ATOM 0 HA TYR A 38 1.985 -3.574 -5.589 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.424 -5.345 -4.654 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.114 -6.506 -4.746 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.816 -4.005 -6.995 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.077 -7.916 -6.616 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.425 -4.504 -9.347 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.689 -8.414 -8.966 1.00 1.00 H new ATOM 0 HH TYR A 38 3.644 -7.676 -10.845 1.00 1.00 H new ATOM 639 N ALA A 39 -0.186 -3.944 -6.840 1.00 1.00 N ATOM 640 CA ALA A 39 -1.367 -4.259 -7.695 1.00 1.00 C ATOM 641 C ALA A 39 -1.404 -3.296 -8.884 1.00 1.00 C ATOM 642 O ALA A 39 -0.842 -2.221 -8.840 1.00 1.00 O ATOM 643 CB ALA A 39 -2.649 -4.103 -6.874 1.00 1.00 C ATOM 0 H ALA A 39 0.177 -2.995 -6.932 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.291 -5.284 -8.057 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.512 -4.333 -7.499 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.623 -4.787 -6.025 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.727 -3.078 -6.512 1.00 1.00 H new ATOM 649 N LEU A 40 -2.059 -3.675 -9.950 1.00 1.00 N ATOM 650 CA LEU A 40 -2.127 -2.782 -11.142 1.00 1.00 C ATOM 651 C LEU A 40 -3.387 -1.902 -11.046 1.00 1.00 C ATOM 652 O LEU A 40 -4.400 -2.316 -10.518 1.00 1.00 O ATOM 653 CB LEU A 40 -2.118 -3.651 -12.417 1.00 1.00 C ATOM 654 CG LEU A 40 -3.539 -3.907 -12.943 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.909 -2.817 -13.949 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.583 -5.269 -13.645 1.00 1.00 C ATOM 0 H LEU A 40 -2.549 -4.564 -10.046 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.264 -2.117 -11.182 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.528 -3.157 -13.189 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.632 -4.603 -12.204 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.243 -3.897 -12.111 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.917 -2.995 -14.324 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.871 -1.843 -13.461 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.204 -2.834 -14.780 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.590 -5.453 -14.019 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.880 -5.272 -14.478 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.310 -6.052 -12.938 1.00 1.00 H new ATOM 668 N PRO A 41 -3.315 -0.686 -11.533 1.00 1.00 N ATOM 669 CA PRO A 41 -4.453 0.273 -11.485 1.00 1.00 C ATOM 670 C PRO A 41 -5.814 -0.395 -11.709 1.00 1.00 C ATOM 671 O PRO A 41 -6.719 -0.267 -10.908 1.00 1.00 O ATOM 672 CB PRO A 41 -4.152 1.243 -12.632 1.00 1.00 C ATOM 673 CG PRO A 41 -2.670 1.188 -12.850 1.00 1.00 C ATOM 674 CD PRO A 41 -2.139 -0.091 -12.184 1.00 1.00 C ATOM 0 HA PRO A 41 -4.530 0.745 -10.506 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.689 0.955 -13.536 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.471 2.254 -12.380 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.441 1.186 -13.916 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -2.189 2.068 -12.423 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.707 -0.770 -12.919 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.357 0.135 -11.459 1.00 1.00 H new ATOM 682 N GLY A 42 -5.968 -1.095 -12.796 1.00 1.00 N ATOM 683 CA GLY A 42 -7.275 -1.760 -13.079 1.00 1.00 C ATOM 684 C GLY A 42 -7.735 -2.560 -11.858 1.00 1.00 C ATOM 685 O GLY A 42 -8.851 -2.427 -11.406 1.00 1.00 O ATOM 0 H GLY A 42 -5.247 -1.237 -13.503 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -8.024 -1.011 -13.336 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.176 -2.421 -13.940 1.00 1.00 H new ATOM 689 N ARG A 43 -6.887 -3.395 -11.329 1.00 1.00 N ATOM 690 CA ARG A 43 -7.273 -4.214 -10.145 1.00 1.00 C ATOM 691 C ARG A 43 -7.569 -3.305 -8.946 1.00 1.00 C ATOM 692 O ARG A 43 -8.362 -3.639 -8.088 1.00 1.00 O ATOM 693 CB ARG A 43 -6.124 -5.160 -9.789 1.00 1.00 C ATOM 694 CG ARG A 43 -5.985 -6.226 -10.878 1.00 1.00 C ATOM 695 CD ARG A 43 -4.996 -7.299 -10.418 1.00 1.00 C ATOM 696 NE ARG A 43 -5.021 -8.441 -11.375 1.00 1.00 N ATOM 697 CZ ARG A 43 -4.544 -9.603 -11.019 1.00 1.00 C ATOM 698 NH1 ARG A 43 -4.048 -9.765 -9.822 1.00 1.00 N ATOM 699 NH2 ARG A 43 -4.565 -10.602 -11.858 1.00 1.00 N ATOM 0 H ARG A 43 -5.937 -3.547 -11.667 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.168 -4.788 -10.386 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.194 -4.600 -9.693 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -6.313 -5.632 -8.825 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.955 -6.676 -11.087 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -5.638 -5.771 -11.806 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -3.991 -6.881 -10.360 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -5.256 -7.644 -9.417 1.00 1.00 H new ATOM 0 HE ARG A 43 -5.411 -8.315 -12.309 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -4.033 -8.984 -9.166 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -3.675 -10.672 -9.543 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -4.954 -10.475 -12.792 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -4.192 -11.510 -11.580 1.00 1.00 H new ATOM 713 N VAL A 44 -6.934 -2.167 -8.872 1.00 1.00 N ATOM 714 CA VAL A 44 -7.180 -1.257 -7.716 1.00 1.00 C ATOM 715 C VAL A 44 -8.512 -0.530 -7.903 1.00 1.00 C ATOM 716 O VAL A 44 -9.402 -0.627 -7.081 1.00 1.00 O ATOM 717 CB VAL A 44 -6.048 -0.232 -7.620 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.275 0.675 -6.402 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.710 -0.965 -7.475 1.00 1.00 C ATOM 0 H VAL A 44 -6.259 -1.829 -9.558 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.217 -1.845 -6.799 1.00 1.00 H new ATOM 0 HB VAL A 44 -6.032 0.378 -8.523 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.467 1.404 -6.336 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.226 1.196 -6.509 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.292 0.070 -5.496 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.902 -0.237 -7.406 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.726 -1.576 -6.572 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.550 -1.604 -8.343 1.00 1.00 H new ATOM 729 N LYS A 45 -8.664 0.193 -8.978 1.00 1.00 N ATOM 730 CA LYS A 45 -9.947 0.915 -9.207 1.00 1.00 C ATOM 731 C LYS A 45 -11.065 -0.115 -9.363 1.00 1.00 C ATOM 732 O LYS A 45 -12.232 0.182 -9.201 1.00 1.00 O ATOM 733 CB LYS A 45 -9.847 1.766 -10.476 1.00 1.00 C ATOM 734 CG LYS A 45 -9.724 0.854 -11.699 1.00 1.00 C ATOM 735 CD LYS A 45 -9.299 1.679 -12.920 1.00 1.00 C ATOM 736 CE LYS A 45 -10.440 2.611 -13.343 1.00 1.00 C ATOM 737 NZ LYS A 45 -11.708 1.835 -13.445 1.00 1.00 N ATOM 0 H LYS A 45 -7.959 0.315 -9.705 1.00 1.00 H new ATOM 0 HA LYS A 45 -10.159 1.570 -8.362 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.728 2.401 -10.570 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.983 2.427 -10.415 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.993 0.069 -11.507 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.677 0.362 -11.895 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -8.410 2.263 -12.683 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -9.035 1.016 -13.744 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -10.552 3.417 -12.618 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -10.208 3.075 -14.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -12.327 2.274 -14.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -11.495 0.857 -13.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -12.188 1.831 -12.522 1.00 1.00 H new ATOM 751 N ALA A 46 -10.708 -1.330 -9.674 1.00 1.00 N ATOM 752 CA ALA A 46 -11.731 -2.398 -9.843 1.00 1.00 C ATOM 753 C ALA A 46 -12.244 -2.827 -8.467 1.00 1.00 C ATOM 754 O ALA A 46 -13.416 -3.093 -8.285 1.00 1.00 O ATOM 755 CB ALA A 46 -11.090 -3.597 -10.547 1.00 1.00 C ATOM 0 H ALA A 46 -9.744 -1.630 -9.819 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.563 -2.024 -10.440 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.833 -4.384 -10.675 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.717 -3.289 -11.524 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.263 -3.973 -9.945 1.00 1.00 H new ATOM 761 N LEU A 47 -11.374 -2.899 -7.496 1.00 1.00 N ATOM 762 CA LEU A 47 -11.809 -3.313 -6.132 1.00 1.00 C ATOM 763 C LEU A 47 -12.774 -2.270 -5.562 1.00 1.00 C ATOM 764 O LEU A 47 -13.429 -2.500 -4.565 1.00 1.00 O ATOM 765 CB LEU A 47 -10.583 -3.428 -5.217 1.00 1.00 C ATOM 766 CG LEU A 47 -9.847 -4.747 -5.494 1.00 1.00 C ATOM 767 CD1 LEU A 47 -8.366 -4.593 -5.139 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.455 -5.867 -4.641 1.00 1.00 C ATOM 0 H LEU A 47 -10.380 -2.689 -7.589 1.00 1.00 H new ATOM 0 HA LEU A 47 -12.312 -4.278 -6.190 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.913 -2.585 -5.385 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.892 -3.386 -4.173 1.00 1.00 H new ATOM 0 HG LEU A 47 -9.947 -4.997 -6.550 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -7.845 -5.530 -5.336 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.927 -3.800 -5.744 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -8.269 -4.339 -4.083 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.930 -6.802 -4.840 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -10.358 -5.614 -3.585 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.510 -5.983 -4.891 1.00 1.00 H new ATOM 780 N CYS A 48 -12.868 -1.124 -6.188 1.00 1.00 N ATOM 781 CA CYS A 48 -13.793 -0.063 -5.686 1.00 1.00 C ATOM 782 C CYS A 48 -14.781 0.300 -6.792 1.00 1.00 C ATOM 783 O CYS A 48 -15.176 1.438 -6.933 1.00 1.00 O ATOM 784 CB CYS A 48 -12.984 1.181 -5.296 1.00 1.00 C ATOM 785 SG CYS A 48 -12.316 0.971 -3.628 1.00 1.00 S ATOM 0 H CYS A 48 -12.343 -0.877 -7.027 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.333 -0.430 -4.813 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.173 1.337 -6.007 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.618 2.067 -5.336 1.00 1.00 H new ATOM 790 N LYS A 49 -15.183 -0.656 -7.581 1.00 1.00 N ATOM 791 CA LYS A 49 -16.143 -0.356 -8.678 1.00 1.00 C ATOM 792 C LYS A 49 -17.577 -0.611 -8.197 1.00 1.00 C ATOM 793 O LYS A 49 -17.909 -1.691 -7.752 1.00 1.00 O ATOM 794 CB LYS A 49 -15.824 -1.250 -9.883 1.00 1.00 C ATOM 795 CG LYS A 49 -16.361 -2.665 -9.646 1.00 1.00 C ATOM 796 CD LYS A 49 -15.698 -3.634 -10.627 1.00 1.00 C ATOM 797 CE LYS A 49 -16.361 -5.008 -10.517 1.00 1.00 C ATOM 798 NZ LYS A 49 -15.929 -5.862 -11.659 1.00 1.00 N ATOM 0 H LYS A 49 -14.889 -1.630 -7.514 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.053 0.690 -8.970 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.269 -0.830 -10.785 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.747 -1.284 -10.045 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -16.160 -2.975 -8.621 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.443 -2.681 -9.777 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.789 -3.256 -11.645 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.633 -3.715 -10.411 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -16.089 -5.480 -9.573 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -17.446 -4.901 -10.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -16.380 -6.796 -11.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -16.210 -5.413 -12.554 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -14.895 -5.974 -11.637 1.00 1.00 H new ATOM 812 N ASN A 50 -18.427 0.380 -8.293 1.00 1.00 N ATOM 813 CA ASN A 50 -19.849 0.217 -7.857 1.00 1.00 C ATOM 814 C ASN A 50 -19.964 0.361 -6.334 1.00 1.00 C ATOM 815 O ASN A 50 -20.983 0.042 -5.753 1.00 1.00 O ATOM 816 CB ASN A 50 -20.370 -1.161 -8.287 1.00 1.00 C ATOM 817 CG ASN A 50 -21.876 -1.086 -8.552 1.00 1.00 C ATOM 818 OD1 ASN A 50 -22.631 -1.913 -8.082 1.00 1.00 O ATOM 819 ND2 ASN A 50 -22.348 -0.119 -9.292 1.00 1.00 N ATOM 0 H ASN A 50 -18.195 1.304 -8.658 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.449 0.995 -8.329 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.849 -1.493 -9.185 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -20.164 -1.897 -7.509 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -23.350 -0.059 -9.475 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -21.715 0.576 -9.687 1.00 1.00 H new ATOM 826 N ILE A 51 -18.943 0.843 -5.679 1.00 1.00 N ATOM 827 CA ILE A 51 -19.026 1.005 -4.199 1.00 1.00 C ATOM 828 C ILE A 51 -20.236 1.875 -3.859 1.00 1.00 C ATOM 829 O ILE A 51 -20.911 2.382 -4.733 1.00 1.00 O ATOM 830 CB ILE A 51 -17.747 1.670 -3.681 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.548 0.762 -3.979 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.846 1.910 -2.172 1.00 1.00 C ATOM 833 CD1 ILE A 51 -16.721 -0.597 -3.286 1.00 1.00 C ATOM 0 H ILE A 51 -18.060 1.130 -6.101 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.134 0.028 -3.727 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.617 2.630 -4.181 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.451 0.619 -5.055 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.629 1.238 -3.636 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.930 2.383 -1.818 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.695 2.561 -1.962 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -17.984 0.957 -1.660 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -15.862 -1.230 -3.507 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -16.795 -0.449 -2.209 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -17.629 -1.078 -3.650 1.00 1.00 H new ATOM 845 N ARG A 52 -20.518 2.047 -2.597 1.00 1.00 N ATOM 846 CA ARG A 52 -21.691 2.880 -2.194 1.00 1.00 C ATOM 847 C ARG A 52 -21.213 4.223 -1.640 1.00 1.00 C ATOM 848 O ARG A 52 -21.629 5.273 -2.086 1.00 1.00 O ATOM 849 CB ARG A 52 -22.496 2.141 -1.121 1.00 1.00 C ATOM 850 CG ARG A 52 -21.610 1.865 0.100 1.00 1.00 C ATOM 851 CD ARG A 52 -22.179 0.688 0.894 1.00 1.00 C ATOM 852 NE ARG A 52 -21.927 -0.581 0.151 1.00 1.00 N ATOM 853 CZ ARG A 52 -21.925 -1.720 0.787 1.00 1.00 C ATOM 854 NH1 ARG A 52 -22.145 -1.751 2.073 1.00 1.00 N ATOM 855 NH2 ARG A 52 -21.704 -2.830 0.137 1.00 1.00 N ATOM 0 H ARG A 52 -19.987 1.646 -1.824 1.00 1.00 H new ATOM 0 HA ARG A 52 -22.320 3.058 -3.066 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -23.360 2.737 -0.827 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.879 1.203 -1.523 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -20.592 1.642 -0.220 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -21.559 2.752 0.732 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -21.716 0.643 1.880 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -23.249 0.824 1.050 1.00 1.00 H new ATOM 0 HE ARG A 52 -21.756 -0.558 -0.854 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -22.319 -0.884 2.582 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -22.143 -2.642 2.569 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -21.533 -2.807 -0.868 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -21.702 -3.721 0.634 1.00 1.00 H new ATOM 869 N ASP A 53 -20.349 4.197 -0.668 1.00 1.00 N ATOM 870 CA ASP A 53 -19.852 5.474 -0.082 1.00 1.00 C ATOM 871 C ASP A 53 -18.683 5.197 0.858 1.00 1.00 C ATOM 872 O ASP A 53 -17.988 4.207 0.737 1.00 1.00 O ATOM 873 CB ASP A 53 -20.986 6.149 0.698 1.00 1.00 C ATOM 874 CG ASP A 53 -20.669 7.635 0.884 1.00 1.00 C ATOM 875 OD1 ASP A 53 -19.541 8.017 0.619 1.00 1.00 O ATOM 876 OD2 ASP A 53 -21.560 8.363 1.288 1.00 1.00 O ATOM 0 H ASP A 53 -19.964 3.349 -0.252 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.515 6.130 -0.885 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -21.928 6.032 0.163 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -21.109 5.669 1.669 1.00 1.00 H new ATOM 881 N ASN A 54 -18.461 6.078 1.786 1.00 1.00 N ATOM 882 CA ASN A 54 -17.332 5.897 2.741 1.00 1.00 C ATOM 883 C ASN A 54 -17.578 4.654 3.595 1.00 1.00 C ATOM 884 O ASN A 54 -18.418 4.646 4.473 1.00 1.00 O ATOM 885 CB ASN A 54 -17.232 7.126 3.647 1.00 1.00 C ATOM 886 CG ASN A 54 -18.612 7.452 4.222 1.00 1.00 C ATOM 887 OD1 ASN A 54 -19.042 6.843 5.181 1.00 1.00 O ATOM 888 ND2 ASN A 54 -19.329 8.393 3.671 1.00 1.00 N ATOM 0 H ASN A 54 -19.015 6.923 1.928 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.402 5.776 2.185 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -16.525 6.938 4.455 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.852 7.977 3.082 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -20.251 8.617 4.046 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -18.968 8.904 2.866 1.00 1.00 H new ATOM 895 N THR A 55 -16.844 3.602 3.346 1.00 1.00 N ATOM 896 CA THR A 55 -17.030 2.355 4.144 1.00 1.00 C ATOM 897 C THR A 55 -15.730 1.548 4.134 1.00 1.00 C ATOM 898 O THR A 55 -14.839 1.798 3.348 1.00 1.00 O ATOM 899 CB THR A 55 -18.161 1.518 3.536 1.00 1.00 C ATOM 900 OG1 THR A 55 -19.138 2.383 2.975 1.00 1.00 O ATOM 901 CG2 THR A 55 -18.806 0.654 4.621 1.00 1.00 C ATOM 0 H THR A 55 -16.124 3.552 2.625 1.00 1.00 H new ATOM 0 HA THR A 55 -17.289 2.615 5.170 1.00 1.00 H new ATOM 0 HB THR A 55 -17.754 0.872 2.758 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.861 1.850 2.584 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.609 0.061 4.184 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.056 -0.011 5.050 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.213 1.295 5.403 1.00 1.00 H new ATOM 909 N ASP A 56 -15.615 0.583 5.005 1.00 1.00 N ATOM 910 CA ASP A 56 -14.372 -0.240 5.057 1.00 1.00 C ATOM 911 C ASP A 56 -14.540 -1.493 4.195 1.00 1.00 C ATOM 912 O ASP A 56 -15.608 -2.070 4.124 1.00 1.00 O ATOM 913 CB ASP A 56 -14.097 -0.653 6.504 1.00 1.00 C ATOM 914 CG ASP A 56 -13.922 0.597 7.368 1.00 1.00 C ATOM 915 OD1 ASP A 56 -14.187 1.679 6.870 1.00 1.00 O ATOM 916 OD2 ASP A 56 -13.526 0.452 8.513 1.00 1.00 O ATOM 0 H ASP A 56 -16.331 0.328 5.686 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.537 0.348 4.676 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -14.921 -1.258 6.883 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.200 -1.270 6.553 1.00 1.00 H new ATOM 921 N VAL A 57 -13.488 -1.922 3.544 1.00 1.00 N ATOM 922 CA VAL A 57 -13.571 -3.145 2.689 1.00 1.00 C ATOM 923 C VAL A 57 -12.465 -4.122 3.098 1.00 1.00 C ATOM 924 O VAL A 57 -11.560 -3.777 3.834 1.00 1.00 O ATOM 925 CB VAL A 57 -13.409 -2.758 1.214 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.238 -1.506 0.923 1.00 1.00 C ATOM 927 CG2 VAL A 57 -11.934 -2.474 0.911 1.00 1.00 C ATOM 0 H VAL A 57 -12.571 -1.475 3.568 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.542 -3.621 2.824 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.753 -3.580 0.586 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -14.124 -1.230 -0.125 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.288 -1.708 1.133 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -13.893 -0.687 1.554 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -11.824 -2.200 -0.138 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.585 -1.654 1.539 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.342 -3.366 1.116 1.00 1.00 H new ATOM 937 N LEU A 58 -12.540 -5.341 2.634 1.00 1.00 N ATOM 938 CA LEU A 58 -11.507 -6.358 2.997 1.00 1.00 C ATOM 939 C LEU A 58 -11.105 -7.137 1.740 1.00 1.00 C ATOM 940 O LEU A 58 -11.948 -7.526 0.955 1.00 1.00 O ATOM 941 CB LEU A 58 -12.121 -7.319 4.035 1.00 1.00 C ATOM 942 CG LEU A 58 -11.137 -7.612 5.177 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.931 -8.375 4.634 1.00 1.00 C ATOM 944 CD2 LEU A 58 -10.668 -6.304 5.831 1.00 1.00 C ATOM 0 H LEU A 58 -13.277 -5.679 2.015 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.623 -5.876 3.414 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.034 -6.883 4.442 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.403 -8.252 3.547 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.644 -8.218 5.928 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.235 -8.581 5.447 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.263 -9.315 4.194 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.433 -7.774 3.873 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -9.971 -6.530 6.638 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.171 -5.683 5.086 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.528 -5.770 6.234 1.00 1.00 H new ATOM 956 N SER A 59 -9.833 -7.371 1.527 1.00 1.00 N ATOM 957 CA SER A 59 -9.432 -8.123 0.302 1.00 1.00 C ATOM 958 C SER A 59 -10.185 -9.455 0.258 1.00 1.00 C ATOM 959 O SER A 59 -10.667 -9.944 1.260 1.00 1.00 O ATOM 960 CB SER A 59 -7.919 -8.371 0.296 1.00 1.00 C ATOM 961 OG SER A 59 -7.665 -9.728 -0.044 1.00 1.00 O ATOM 0 H SER A 59 -9.069 -7.079 2.137 1.00 1.00 H new ATOM 0 HA SER A 59 -9.685 -7.533 -0.579 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.433 -7.708 -0.420 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.498 -8.145 1.276 1.00 1.00 H new ATOM 0 HG SER A 59 -7.234 -9.770 -0.923 1.00 1.00 H new ATOM 967 N ARG A 60 -10.308 -10.031 -0.907 1.00 1.00 N ATOM 968 CA ARG A 60 -11.051 -11.317 -1.040 1.00 1.00 C ATOM 969 C ARG A 60 -10.293 -12.453 -0.350 1.00 1.00 C ATOM 970 O ARG A 60 -10.886 -13.310 0.274 1.00 1.00 O ATOM 971 CB ARG A 60 -11.223 -11.651 -2.524 1.00 1.00 C ATOM 972 CG ARG A 60 -11.624 -10.388 -3.291 1.00 1.00 C ATOM 973 CD ARG A 60 -12.871 -9.773 -2.652 1.00 1.00 C ATOM 974 NE ARG A 60 -13.486 -8.802 -3.600 1.00 1.00 N ATOM 975 CZ ARG A 60 -14.674 -8.319 -3.361 1.00 1.00 C ATOM 976 NH1 ARG A 60 -15.326 -8.687 -2.293 1.00 1.00 N ATOM 977 NH2 ARG A 60 -15.211 -7.465 -4.191 1.00 1.00 N ATOM 0 H ARG A 60 -9.923 -9.664 -1.777 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.026 -11.208 -0.565 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -10.294 -12.054 -2.927 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -11.984 -12.421 -2.648 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -10.805 -9.669 -3.280 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -11.821 -10.632 -4.335 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -13.587 -10.555 -2.400 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -12.606 -9.271 -1.721 1.00 1.00 H new ATOM 0 HE ARG A 60 -12.978 -8.515 -4.436 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -14.907 -9.353 -1.644 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -16.255 -8.309 -2.107 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -14.701 -7.176 -5.026 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -16.140 -7.087 -4.004 1.00 1.00 H new ATOM 991 N ASP A 61 -8.992 -12.485 -0.463 1.00 1.00 N ATOM 992 CA ASP A 61 -8.225 -13.590 0.183 1.00 1.00 C ATOM 993 C ASP A 61 -6.849 -13.092 0.627 1.00 1.00 C ATOM 994 O ASP A 61 -6.607 -12.884 1.799 1.00 1.00 O ATOM 995 CB ASP A 61 -8.050 -14.736 -0.815 1.00 1.00 C ATOM 996 CG ASP A 61 -9.422 -15.292 -1.199 1.00 1.00 C ATOM 997 OD1 ASP A 61 -10.100 -15.803 -0.322 1.00 1.00 O ATOM 998 OD2 ASP A 61 -9.774 -15.197 -2.364 1.00 1.00 O ATOM 0 H ASP A 61 -8.431 -11.800 -0.970 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.775 -13.939 1.057 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -7.528 -14.382 -1.704 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.436 -15.523 -0.377 1.00 1.00 H new ATOM 1003 N ALA A 62 -5.941 -12.911 -0.294 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.580 -12.439 0.090 1.00 1.00 C ATOM 1005 C ALA A 62 -4.026 -11.497 -0.981 1.00 1.00 C ATOM 1006 O ALA A 62 -4.525 -11.432 -2.087 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.649 -13.644 0.236 1.00 1.00 C ATOM 0 H ALA A 62 -6.082 -13.069 -1.292 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.643 -11.902 1.037 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.653 -13.302 0.517 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.035 -14.310 1.007 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.595 -14.179 -0.712 1.00 1.00 H new ATOM 1013 N PHE A 63 -2.991 -10.769 -0.655 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.389 -9.829 -1.642 1.00 1.00 C ATOM 1015 C PHE A 63 -0.904 -9.651 -1.318 1.00 1.00 C ATOM 1016 O PHE A 63 -0.523 -9.514 -0.173 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.100 -8.472 -1.561 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.332 -8.490 -2.436 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.532 -9.013 -1.944 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.272 -7.980 -3.738 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.674 -9.029 -2.753 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.415 -7.995 -4.549 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.616 -8.520 -4.056 1.00 1.00 C ATOM 0 H PHE A 63 -2.535 -10.786 0.257 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.501 -10.231 -2.649 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.378 -8.257 -0.529 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.426 -7.678 -1.882 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.578 -9.405 -0.939 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.345 -7.575 -4.118 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.600 -9.434 -2.372 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.370 -7.602 -5.554 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.497 -8.532 -4.681 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.067 -9.657 -2.318 1.00 1.00 N ATOM 1034 CA LEU A 64 1.394 -9.494 -2.073 1.00 1.00 C ATOM 1035 C LEU A 64 1.713 -8.017 -1.842 1.00 1.00 C ATOM 1036 O LEU A 64 1.627 -7.210 -2.745 1.00 1.00 O ATOM 1037 CB LEU A 64 2.166 -9.991 -3.298 1.00 1.00 C ATOM 1038 CG LEU A 64 3.640 -10.205 -2.938 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.338 -10.941 -4.084 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.327 -8.851 -2.706 1.00 1.00 C ATOM 0 H LEU A 64 -0.332 -9.768 -3.297 1.00 1.00 H new ATOM 0 HA LEU A 64 1.683 -10.069 -1.194 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.732 -10.924 -3.658 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.083 -9.267 -4.109 1.00 1.00 H new ATOM 0 HG LEU A 64 3.704 -10.797 -2.025 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.387 -11.095 -3.832 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.857 -11.906 -4.243 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.267 -10.346 -4.995 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.374 -9.013 -2.451 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.264 -8.251 -3.614 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.831 -8.327 -1.889 1.00 1.00 H new ATOM 1052 N LEU A 65 2.083 -7.651 -0.642 1.00 1.00 N ATOM 1053 CA LEU A 65 2.411 -6.221 -0.375 1.00 1.00 C ATOM 1054 C LEU A 65 3.854 -6.102 0.136 1.00 1.00 C ATOM 1055 O LEU A 65 4.213 -6.711 1.124 1.00 1.00 O ATOM 1056 CB LEU A 65 1.474 -5.630 0.690 1.00 1.00 C ATOM 1057 CG LEU A 65 0.529 -6.686 1.252 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.049 -6.216 2.626 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.670 -6.840 0.310 1.00 1.00 C ATOM 0 H LEU A 65 2.171 -8.276 0.159 1.00 1.00 H new ATOM 0 HA LEU A 65 2.290 -5.673 -1.309 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.066 -5.202 1.499 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.894 -4.816 0.255 1.00 1.00 H new ATOM 0 HG LEU A 65 1.037 -7.646 1.343 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.630 -6.958 3.048 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.906 -6.091 3.288 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.472 -5.264 2.523 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.350 -7.594 0.707 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.193 -5.887 0.228 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.321 -7.148 -0.676 1.00 1.00 H new ATOM 1071 N PRO A 66 4.662 -5.291 -0.498 1.00 1.00 N ATOM 1072 CA PRO A 66 6.059 -5.065 -0.051 1.00 1.00 C ATOM 1073 C PRO A 66 6.064 -4.173 1.189 1.00 1.00 C ATOM 1074 O PRO A 66 5.220 -3.312 1.332 1.00 1.00 O ATOM 1075 CB PRO A 66 6.726 -4.367 -1.239 1.00 1.00 C ATOM 1076 CG PRO A 66 5.615 -3.734 -2.013 1.00 1.00 C ATOM 1077 CD PRO A 66 4.336 -4.508 -1.698 1.00 1.00 C ATOM 0 HA PRO A 66 6.579 -5.983 0.224 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.443 -3.619 -0.901 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.275 -5.080 -1.854 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.506 -2.685 -1.738 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.827 -3.763 -3.082 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.499 -3.834 -1.516 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.050 -5.155 -2.527 1.00 1.00 H new ATOM 1085 N GLN A 67 6.975 -4.372 2.100 1.00 1.00 N ATOM 1086 CA GLN A 67 6.970 -3.521 3.322 1.00 1.00 C ATOM 1087 C GLN A 67 8.397 -3.272 3.806 1.00 1.00 C ATOM 1088 O GLN A 67 9.287 -4.074 3.602 1.00 1.00 O ATOM 1089 CB GLN A 67 6.172 -4.219 4.430 1.00 1.00 C ATOM 1090 CG GLN A 67 4.979 -4.959 3.821 1.00 1.00 C ATOM 1091 CD GLN A 67 4.142 -5.584 4.940 1.00 1.00 C ATOM 1092 OE1 GLN A 67 3.106 -6.165 4.686 1.00 1.00 O ATOM 1093 NE2 GLN A 67 4.552 -5.488 6.175 1.00 1.00 N ATOM 0 H GLN A 67 7.712 -5.076 2.054 1.00 1.00 H new ATOM 0 HA GLN A 67 6.508 -2.564 3.080 1.00 1.00 H new ATOM 0 HB2 GLN A 67 6.812 -4.920 4.965 1.00 1.00 H new ATOM 0 HB3 GLN A 67 5.824 -3.486 5.158 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.369 -4.270 3.237 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.328 -5.733 3.137 1.00 1.00 H new ATOM 0 HE21 GLN A 67 5.422 -5.000 6.387 1.00 1.00 H new ATOM 0 HE22 GLN A 67 4.002 -5.901 6.928 1.00 1.00 H new ATOM 1102 N CYS A 68 8.612 -2.157 4.452 1.00 1.00 N ATOM 1103 CA CYS A 68 9.974 -1.828 4.966 1.00 1.00 C ATOM 1104 C CYS A 68 10.013 -2.008 6.484 1.00 1.00 C ATOM 1105 O CYS A 68 9.034 -1.790 7.171 1.00 1.00 O ATOM 1106 CB CYS A 68 10.300 -0.375 4.630 1.00 1.00 C ATOM 1107 SG CYS A 68 9.836 -0.036 2.916 1.00 1.00 S ATOM 0 H CYS A 68 7.898 -1.455 4.647 1.00 1.00 H new ATOM 0 HA CYS A 68 10.703 -2.492 4.502 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.764 0.294 5.303 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.364 -0.187 4.774 1.00 1.00 H new ATOM 1112 N ASP A 69 11.145 -2.394 7.013 1.00 1.00 N ATOM 1113 CA ASP A 69 11.262 -2.582 8.488 1.00 1.00 C ATOM 1114 C ASP A 69 12.644 -2.112 8.950 1.00 1.00 C ATOM 1115 O ASP A 69 13.648 -2.734 8.666 1.00 1.00 O ATOM 1116 CB ASP A 69 11.089 -4.063 8.830 1.00 1.00 C ATOM 1117 CG ASP A 69 11.022 -4.233 10.350 1.00 1.00 C ATOM 1118 OD1 ASP A 69 11.653 -3.451 11.041 1.00 1.00 O ATOM 1119 OD2 ASP A 69 10.342 -5.142 10.795 1.00 1.00 O ATOM 0 H ASP A 69 11.996 -2.587 6.484 1.00 1.00 H new ATOM 0 HA ASP A 69 10.490 -2.001 8.992 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.179 -4.449 8.370 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.921 -4.640 8.425 1.00 1.00 H new ATOM 1124 N ARG A 70 12.706 -1.016 9.659 1.00 1.00 N ATOM 1125 CA ARG A 70 14.025 -0.508 10.132 1.00 1.00 C ATOM 1126 C ARG A 70 14.638 -1.501 11.119 1.00 1.00 C ATOM 1127 O ARG A 70 14.077 -1.787 12.159 1.00 1.00 O ATOM 1128 CB ARG A 70 13.832 0.849 10.820 1.00 1.00 C ATOM 1129 CG ARG A 70 15.184 1.374 11.334 1.00 1.00 C ATOM 1130 CD ARG A 70 15.286 1.162 12.847 1.00 1.00 C ATOM 1131 NE ARG A 70 14.432 2.164 13.547 1.00 1.00 N ATOM 1132 CZ ARG A 70 14.839 3.397 13.669 1.00 1.00 C ATOM 1133 NH1 ARG A 70 15.993 3.755 13.178 1.00 1.00 N ATOM 1134 NH2 ARG A 70 14.091 4.273 14.282 1.00 1.00 N ATOM 0 H ARG A 70 11.901 -0.452 9.930 1.00 1.00 H new ATOM 0 HA ARG A 70 14.694 -0.392 9.279 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.398 1.563 10.120 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.132 0.749 11.649 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.000 0.856 10.830 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.285 2.434 11.099 1.00 1.00 H new ATOM 0 HD2 ARG A 70 14.967 0.152 13.106 1.00 1.00 H new ATOM 0 HD3 ARG A 70 16.322 1.262 13.170 1.00 1.00 H new ATOM 0 HE ARG A 70 13.529 1.885 13.931 1.00 1.00 H new ATOM 0 HH11 ARG A 70 16.578 3.071 12.698 1.00 1.00 H new ATOM 0 HH12 ARG A 70 16.311 4.719 13.274 1.00 1.00 H new ATOM 0 HH21 ARG A 70 13.188 3.993 14.666 1.00 1.00 H new ATOM 0 HH22 ARG A 70 14.409 5.237 14.378 1.00 1.00 H new ATOM 1148 N ILE A 71 15.791 -2.025 10.800 1.00 1.00 N ATOM 1149 CA ILE A 71 16.463 -2.998 11.711 1.00 1.00 C ATOM 1150 C ILE A 71 17.951 -2.659 11.784 1.00 1.00 C ATOM 1151 O ILE A 71 18.547 -2.657 12.843 1.00 1.00 O ATOM 1152 CB ILE A 71 16.288 -4.418 11.166 1.00 1.00 C ATOM 1153 CG1 ILE A 71 14.801 -4.788 11.170 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.059 -5.402 12.049 1.00 1.00 C ATOM 1155 CD1 ILE A 71 14.602 -6.115 10.435 1.00 1.00 C ATOM 0 H ILE A 71 16.300 -1.819 9.941 1.00 1.00 H new ATOM 0 HA ILE A 71 16.020 -2.940 12.705 1.00 1.00 H new ATOM 0 HB ILE A 71 16.672 -4.465 10.147 1.00 1.00 H new ATOM 0 HG12 ILE A 71 14.439 -4.870 12.195 1.00 1.00 H new ATOM 0 HG13 ILE A 71 14.219 -4.003 10.688 1.00 1.00 H new ATOM 0 HG21 ILE A 71 16.935 -6.413 11.661 1.00 1.00 H new ATOM 0 HG22 ILE A 71 18.117 -5.140 12.047 1.00 1.00 H new ATOM 0 HG23 ILE A 71 16.675 -5.354 13.068 1.00 1.00 H new ATOM 0 HD11 ILE A 71 13.544 -6.378 10.438 1.00 1.00 H new ATOM 0 HD12 ILE A 71 14.948 -6.017 9.406 1.00 1.00 H new ATOM 0 HD13 ILE A 71 15.172 -6.898 10.936 1.00 1.00 H new ATOM 1167 N LYS A 72 18.553 -2.366 10.661 1.00 1.00 N ATOM 1168 CA LYS A 72 20.006 -2.018 10.646 1.00 1.00 C ATOM 1169 C LYS A 72 20.164 -0.539 10.290 1.00 1.00 C ATOM 1170 O LYS A 72 19.503 -0.032 9.404 1.00 1.00 O ATOM 1171 CB LYS A 72 20.723 -2.872 9.598 1.00 1.00 C ATOM 1172 CG LYS A 72 20.537 -4.354 9.929 1.00 1.00 C ATOM 1173 CD LYS A 72 21.024 -5.205 8.753 1.00 1.00 C ATOM 1174 CE LYS A 72 20.806 -6.686 9.068 1.00 1.00 C ATOM 1175 NZ LYS A 72 21.845 -7.148 10.031 1.00 1.00 N ATOM 0 H LYS A 72 18.098 -2.353 9.748 1.00 1.00 H new ATOM 0 HA LYS A 72 20.439 -2.208 11.628 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.325 -2.658 8.606 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.784 -2.624 9.576 1.00 1.00 H new ATOM 0 HG2 LYS A 72 21.093 -4.609 10.831 1.00 1.00 H new ATOM 0 HG3 LYS A 72 19.487 -4.563 10.133 1.00 1.00 H new ATOM 0 HD2 LYS A 72 20.485 -4.932 7.846 1.00 1.00 H new ATOM 0 HD3 LYS A 72 22.081 -5.014 8.566 1.00 1.00 H new ATOM 0 HE2 LYS A 72 19.812 -6.837 9.489 1.00 1.00 H new ATOM 0 HE3 LYS A 72 20.857 -7.275 8.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 21.771 -8.178 10.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 22.789 -6.910 9.664 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 21.702 -6.679 10.948 1.00 1.00 H new ATOM 1189 N LEU A 73 21.032 0.161 10.972 1.00 1.00 N ATOM 1190 CA LEU A 73 21.227 1.609 10.674 1.00 1.00 C ATOM 1191 C LEU A 73 19.852 2.297 10.646 1.00 1.00 C ATOM 1192 O LEU A 73 18.836 1.655 10.829 1.00 1.00 O ATOM 1193 CB LEU A 73 21.939 1.768 9.320 1.00 1.00 C ATOM 1194 CG LEU A 73 22.868 0.574 9.070 1.00 1.00 C ATOM 1195 CD1 LEU A 73 23.626 0.788 7.758 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.872 0.456 10.221 1.00 1.00 C ATOM 0 H LEU A 73 21.615 -0.209 11.723 1.00 1.00 H new ATOM 0 HA LEU A 73 21.846 2.072 11.443 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.203 1.840 8.519 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.513 2.694 9.309 1.00 1.00 H new ATOM 0 HG LEU A 73 22.277 -0.339 9.008 1.00 1.00 H new ATOM 0 HD11 LEU A 73 24.287 -0.059 7.578 1.00 1.00 H new ATOM 0 HD12 LEU A 73 22.915 0.874 6.937 1.00 1.00 H new ATOM 0 HD13 LEU A 73 24.217 1.702 7.824 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.532 -0.393 10.043 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.464 1.369 10.283 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.335 0.308 11.158 1.00 1.00 H new ATOM 1208 N PRO A 74 19.808 3.591 10.439 1.00 1.00 N ATOM 1209 CA PRO A 74 18.537 4.357 10.409 1.00 1.00 C ATOM 1210 C PRO A 74 17.930 4.452 9.014 1.00 1.00 C ATOM 1211 O PRO A 74 17.131 3.630 8.610 1.00 1.00 O ATOM 1212 CB PRO A 74 18.963 5.737 10.914 1.00 1.00 C ATOM 1213 CG PRO A 74 20.405 5.888 10.515 1.00 1.00 C ATOM 1214 CD PRO A 74 20.955 4.482 10.212 1.00 1.00 C ATOM 0 HA PRO A 74 17.758 3.883 11.006 1.00 1.00 H new ATOM 0 HB2 PRO A 74 18.350 6.522 10.472 1.00 1.00 H new ATOM 0 HB3 PRO A 74 18.846 5.812 11.995 1.00 1.00 H new ATOM 0 HG2 PRO A 74 20.494 6.531 9.639 1.00 1.00 H new ATOM 0 HG3 PRO A 74 20.976 6.358 11.315 1.00 1.00 H new ATOM 0 HD2 PRO A 74 21.320 4.409 9.187 1.00 1.00 H new ATOM 0 HD3 PRO A 74 21.790 4.231 10.866 1.00 1.00 H new ATOM 1222 N CYS A 75 18.297 5.458 8.290 1.00 1.00 N ATOM 1223 CA CYS A 75 17.755 5.649 6.920 1.00 1.00 C ATOM 1224 C CYS A 75 17.734 4.310 6.162 1.00 1.00 C ATOM 1225 O CYS A 75 17.103 4.185 5.131 1.00 1.00 O ATOM 1226 CB CYS A 75 18.662 6.644 6.201 1.00 1.00 C ATOM 1227 SG CYS A 75 17.712 8.087 5.648 1.00 1.00 S ATOM 0 H CYS A 75 18.961 6.171 8.590 1.00 1.00 H new ATOM 0 HA CYS A 75 16.733 6.024 6.965 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.463 6.963 6.868 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.133 6.162 5.345 1.00 1.00 H new ATOM 1232 N HIS A 76 18.413 3.311 6.663 1.00 1.00 N ATOM 1233 CA HIS A 76 18.421 1.990 5.966 1.00 1.00 C ATOM 1234 C HIS A 76 17.256 1.138 6.479 1.00 1.00 C ATOM 1235 O HIS A 76 16.872 1.228 7.628 1.00 1.00 O ATOM 1236 CB HIS A 76 19.743 1.268 6.246 1.00 1.00 C ATOM 1237 CG HIS A 76 20.003 0.252 5.167 1.00 1.00 C ATOM 1238 ND1 HIS A 76 20.901 0.483 4.133 1.00 1.00 N ATOM 1239 CD2 HIS A 76 19.492 -1.003 4.946 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.902 -0.609 3.346 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.062 -1.541 3.797 1.00 1.00 N ATOM 0 H HIS A 76 18.961 3.352 7.522 1.00 1.00 H new ATOM 0 HA HIS A 76 18.315 2.146 4.892 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.561 1.988 6.286 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.702 0.778 7.219 1.00 1.00 H new ATOM 0 HD2 HIS A 76 18.760 -1.496 5.568 1.00 1.00 H new ATOM 0 HE1 HIS A 76 21.508 -0.717 2.459 1.00 1.00 H new ATOM 0 HE2 HIS A 76 19.876 -2.456 3.386 1.00 1.00 H new ATOM 1250 N TYR A 77 16.688 0.315 5.635 1.00 1.00 N ATOM 1251 CA TYR A 77 15.544 -0.539 6.075 1.00 1.00 C ATOM 1252 C TYR A 77 15.707 -1.958 5.527 1.00 1.00 C ATOM 1253 O TYR A 77 16.546 -2.221 4.689 1.00 1.00 O ATOM 1254 CB TYR A 77 14.237 0.053 5.546 1.00 1.00 C ATOM 1255 CG TYR A 77 14.264 1.554 5.700 1.00 1.00 C ATOM 1256 CD1 TYR A 77 14.025 2.130 6.951 1.00 1.00 C ATOM 1257 CD2 TYR A 77 14.527 2.368 4.592 1.00 1.00 C ATOM 1258 CE1 TYR A 77 14.049 3.519 7.096 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.551 3.760 4.737 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.311 4.335 5.991 1.00 1.00 C ATOM 1261 OH TYR A 77 14.331 5.705 6.137 1.00 1.00 O ATOM 0 H TYR A 77 16.967 0.198 4.661 1.00 1.00 H new ATOM 0 HA TYR A 77 15.525 -0.573 7.164 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.103 -0.213 4.497 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.390 -0.364 6.091 1.00 1.00 H new ATOM 0 HD1 TYR A 77 13.822 1.501 7.805 1.00 1.00 H new ATOM 0 HD2 TYR A 77 14.711 1.922 3.626 1.00 1.00 H new ATOM 0 HE1 TYR A 77 13.865 3.963 8.063 1.00 1.00 H new ATOM 0 HE2 TYR A 77 14.754 4.389 3.883 1.00 1.00 H new ATOM 0 HH TYR A 77 15.053 6.082 5.592 1.00 1.00 H new ATOM 1271 N LYS A 78 14.892 -2.871 5.989 1.00 1.00 N ATOM 1272 CA LYS A 78 14.969 -4.277 5.497 1.00 1.00 C ATOM 1273 C LYS A 78 13.766 -4.544 4.589 1.00 1.00 C ATOM 1274 O LYS A 78 12.695 -4.006 4.794 1.00 1.00 O ATOM 1275 CB LYS A 78 14.932 -5.239 6.689 1.00 1.00 C ATOM 1276 CG LYS A 78 15.329 -6.649 6.231 1.00 1.00 C ATOM 1277 CD LYS A 78 16.850 -6.809 6.296 1.00 1.00 C ATOM 1278 CE LYS A 78 17.236 -8.224 5.861 1.00 1.00 C ATOM 1279 NZ LYS A 78 16.753 -9.204 6.874 1.00 1.00 N ATOM 0 H LYS A 78 14.172 -2.700 6.691 1.00 1.00 H new ATOM 0 HA LYS A 78 15.896 -4.428 4.944 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.613 -4.894 7.468 1.00 1.00 H new ATOM 0 HB3 LYS A 78 13.933 -5.256 7.124 1.00 1.00 H new ATOM 0 HG2 LYS A 78 14.849 -7.395 6.864 1.00 1.00 H new ATOM 0 HG3 LYS A 78 14.980 -6.822 5.213 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.331 -6.075 5.650 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.203 -6.620 7.310 1.00 1.00 H new ATOM 0 HE2 LYS A 78 16.801 -8.448 4.887 1.00 1.00 H new ATOM 0 HE3 LYS A 78 18.318 -8.300 5.753 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 17.271 -10.099 6.765 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 16.914 -8.824 7.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 15.736 -9.373 6.736 1.00 1.00 H new ATOM 1293 N LEU A 79 13.933 -5.358 3.582 1.00 1.00 N ATOM 1294 CA LEU A 79 12.797 -5.642 2.659 1.00 1.00 C ATOM 1295 C LEU A 79 12.022 -6.871 3.150 1.00 1.00 C ATOM 1296 O LEU A 79 12.578 -7.933 3.342 1.00 1.00 O ATOM 1297 CB LEU A 79 13.343 -5.904 1.249 1.00 1.00 C ATOM 1298 CG LEU A 79 12.344 -5.399 0.204 1.00 1.00 C ATOM 1299 CD1 LEU A 79 12.878 -5.695 -1.199 1.00 1.00 C ATOM 1300 CD2 LEU A 79 10.999 -6.106 0.399 1.00 1.00 C ATOM 0 H LEU A 79 14.805 -5.838 3.359 1.00 1.00 H new ATOM 0 HA LEU A 79 12.125 -4.784 2.637 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.302 -5.402 1.121 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.521 -6.970 1.110 1.00 1.00 H new ATOM 0 HG LEU A 79 12.209 -4.324 0.321 1.00 1.00 H new ATOM 0 HD11 LEU A 79 12.167 -5.335 -1.942 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.834 -5.191 -1.338 1.00 1.00 H new ATOM 0 HD13 LEU A 79 13.014 -6.770 -1.317 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.288 -5.747 -0.345 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.133 -7.181 0.283 1.00 1.00 H new ATOM 0 HD23 LEU A 79 10.618 -5.894 1.398 1.00 1.00 H new ATOM 1312 N SER A 80 10.739 -6.729 3.348 1.00 1.00 N ATOM 1313 CA SER A 80 9.915 -7.881 3.819 1.00 1.00 C ATOM 1314 C SER A 80 8.527 -7.799 3.178 1.00 1.00 C ATOM 1315 O SER A 80 7.894 -6.764 3.185 1.00 1.00 O ATOM 1316 CB SER A 80 9.780 -7.821 5.341 1.00 1.00 C ATOM 1317 OG SER A 80 8.857 -8.815 5.769 1.00 1.00 O ATOM 0 H SER A 80 10.223 -5.861 3.203 1.00 1.00 H new ATOM 0 HA SER A 80 10.395 -8.818 3.536 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.750 -7.983 5.811 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.437 -6.833 5.649 1.00 1.00 H new ATOM 0 HG SER A 80 8.769 -8.781 6.744 1.00 1.00 H new ATOM 1323 N SER A 81 8.051 -8.880 2.619 1.00 1.00 N ATOM 1324 CA SER A 81 6.705 -8.858 1.972 1.00 1.00 C ATOM 1325 C SER A 81 5.971 -10.170 2.264 1.00 1.00 C ATOM 1326 O SER A 81 6.575 -11.167 2.605 1.00 1.00 O ATOM 1327 CB SER A 81 6.873 -8.693 0.460 1.00 1.00 C ATOM 1328 OG SER A 81 7.987 -7.849 0.202 1.00 1.00 O ATOM 0 H SER A 81 8.535 -9.777 2.582 1.00 1.00 H new ATOM 0 HA SER A 81 6.125 -8.025 2.369 1.00 1.00 H new ATOM 0 HB2 SER A 81 7.022 -9.665 -0.009 1.00 1.00 H new ATOM 0 HB3 SER A 81 5.969 -8.265 0.026 1.00 1.00 H new ATOM 0 HG SER A 81 7.983 -7.581 -0.741 1.00 1.00 H new ATOM 1334 N SER A 82 4.672 -10.177 2.131 1.00 1.00 N ATOM 1335 CA SER A 82 3.903 -11.424 2.398 1.00 1.00 C ATOM 1336 C SER A 82 2.518 -11.318 1.768 1.00 1.00 C ATOM 1337 O SER A 82 2.091 -10.257 1.353 1.00 1.00 O ATOM 1338 CB SER A 82 3.766 -11.630 3.907 1.00 1.00 C ATOM 1339 OG SER A 82 2.702 -12.538 4.163 1.00 1.00 O ATOM 0 H SER A 82 4.111 -9.373 1.849 1.00 1.00 H new ATOM 0 HA SER A 82 4.432 -12.273 1.964 1.00 1.00 H new ATOM 0 HB2 SER A 82 4.698 -12.018 4.319 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.573 -10.677 4.400 1.00 1.00 H new ATOM 0 HG SER A 82 2.613 -12.673 5.130 1.00 1.00 H new ATOM 1345 N THR A 83 1.820 -12.418 1.678 1.00 1.00 N ATOM 1346 CA THR A 83 0.476 -12.410 1.063 1.00 1.00 C ATOM 1347 C THR A 83 -0.593 -12.498 2.154 1.00 1.00 C ATOM 1348 O THR A 83 -0.654 -13.452 2.904 1.00 1.00 O ATOM 1349 CB THR A 83 0.386 -13.622 0.139 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.360 -14.580 0.528 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.649 -13.186 -1.301 1.00 1.00 C ATOM 0 H THR A 83 2.134 -13.330 2.011 1.00 1.00 H new ATOM 0 HA THR A 83 0.313 -11.491 0.501 1.00 1.00 H new ATOM 0 HB THR A 83 -0.609 -14.061 0.208 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.305 -15.361 -0.062 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.585 -14.051 -1.961 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.094 -12.447 -1.599 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.645 -12.748 -1.373 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.437 -11.508 2.244 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.506 -11.532 3.283 1.00 1.00 C ATOM 1361 C ASN A 84 -3.622 -10.566 2.884 1.00 1.00 C ATOM 1362 O ASN A 84 -3.422 -9.676 2.080 1.00 1.00 O ATOM 1363 CB ASN A 84 -1.919 -11.104 4.630 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.415 -9.663 4.534 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -1.088 -9.192 3.462 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -1.339 -8.938 5.616 1.00 1.00 N ATOM 0 H ASN A 84 -1.433 -10.683 1.644 1.00 1.00 H new ATOM 0 HA ASN A 84 -2.909 -12.541 3.368 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.676 -11.184 5.410 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.101 -11.768 4.910 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -1.005 -7.976 5.563 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -1.613 -9.334 6.515 1.00 1.00 H new ATOM 1373 N THR A 85 -4.795 -10.729 3.435 1.00 1.00 N ATOM 1374 CA THR A 85 -5.911 -9.814 3.079 1.00 1.00 C ATOM 1375 C THR A 85 -5.555 -8.404 3.555 1.00 1.00 C ATOM 1376 O THR A 85 -4.538 -8.194 4.185 1.00 1.00 O ATOM 1377 CB THR A 85 -7.200 -10.302 3.761 1.00 1.00 C ATOM 1378 OG1 THR A 85 -6.959 -11.564 4.367 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.328 -10.441 2.731 1.00 1.00 C ATOM 0 H THR A 85 -5.026 -11.455 4.114 1.00 1.00 H new ATOM 0 HA THR A 85 -6.069 -9.802 2.001 1.00 1.00 H new ATOM 0 HB THR A 85 -7.499 -9.576 4.517 1.00 1.00 H new ATOM 0 HG1 THR A 85 -6.785 -12.233 3.672 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.234 -10.787 3.228 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.517 -9.474 2.265 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.036 -11.161 1.967 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.371 -7.433 3.246 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.058 -6.038 3.665 1.00 1.00 C ATOM 1389 C ILE A 86 -7.350 -5.276 3.955 1.00 1.00 C ATOM 1390 O ILE A 86 -8.377 -5.536 3.363 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.301 -5.340 2.528 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -6.258 -5.048 1.364 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.185 -6.257 2.031 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -5.473 -4.453 0.193 1.00 1.00 C ATOM 0 H ILE A 86 -7.239 -7.546 2.722 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.448 -6.057 4.568 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.883 -4.404 2.899 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.758 -5.965 1.052 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -7.035 -4.354 1.684 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.643 -5.766 1.223 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.498 -6.471 2.850 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.616 -7.189 1.665 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.153 -4.246 -0.633 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -4.994 -3.527 0.510 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.712 -5.162 -0.133 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.299 -4.319 4.844 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.511 -3.519 5.159 1.00 1.00 C ATOM 1408 C CYS A 87 -8.271 -2.088 4.679 1.00 1.00 C ATOM 1409 O CYS A 87 -7.254 -1.491 4.967 1.00 1.00 O ATOM 1410 CB CYS A 87 -8.753 -3.533 6.672 1.00 1.00 C ATOM 1411 SG CYS A 87 -9.890 -2.200 7.124 1.00 1.00 S ATOM 0 H CYS A 87 -6.463 -4.058 5.367 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.387 -3.937 4.663 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.167 -4.495 6.974 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -7.808 -3.412 7.202 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.183 -1.541 3.930 1.00 1.00 N ATOM 1417 CA ILE A 88 -8.989 -0.148 3.424 1.00 1.00 C ATOM 1418 C ILE A 88 -10.358 0.522 3.287 1.00 1.00 C ATOM 1419 O ILE A 88 -11.371 -0.139 3.191 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.248 -0.194 2.068 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.943 0.700 1.029 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.217 -1.633 1.549 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.096 0.769 -0.246 1.00 1.00 C ATOM 0 H ILE A 88 -10.052 -1.992 3.645 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.385 0.433 4.121 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.233 0.172 2.222 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.932 0.304 0.799 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.087 1.701 1.435 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.694 -1.664 0.593 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -7.698 -2.268 2.267 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.237 -1.994 1.417 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.593 1.404 -0.979 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.117 1.185 -0.010 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.975 -0.233 -0.657 1.00 1.00 H new ATOM 1435 N THR A 89 -10.400 1.831 3.284 1.00 1.00 N ATOM 1436 CA THR A 89 -11.714 2.529 3.160 1.00 1.00 C ATOM 1437 C THR A 89 -11.825 3.184 1.779 1.00 1.00 C ATOM 1438 O THR A 89 -10.929 3.879 1.327 1.00 1.00 O ATOM 1439 CB THR A 89 -11.843 3.584 4.273 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.576 3.027 5.355 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.571 4.831 3.759 1.00 1.00 C ATOM 0 H THR A 89 -9.587 2.442 3.362 1.00 1.00 H new ATOM 0 HA THR A 89 -12.524 1.807 3.266 1.00 1.00 H new ATOM 0 HB THR A 89 -10.845 3.875 4.600 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.430 2.678 5.026 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.651 5.563 4.563 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.012 5.263 2.929 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.569 4.555 3.419 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.934 2.963 1.120 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.162 3.555 -0.230 1.00 1.00 C ATOM 1451 C CYS A 90 -14.354 4.515 -0.140 1.00 1.00 C ATOM 1452 O CYS A 90 -14.963 4.652 0.902 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.471 2.429 -1.226 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.681 2.785 -2.814 1.00 1.00 S ATOM 0 H CYS A 90 -13.702 2.388 1.467 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.277 4.095 -0.567 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -13.112 1.477 -0.836 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.549 2.333 -1.358 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.695 5.180 -1.212 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.848 6.126 -1.159 1.00 1.00 C ATOM 1461 C VAL A 91 -16.500 6.247 -2.539 1.00 1.00 C ATOM 1462 O VAL A 91 -17.293 5.417 -2.939 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.348 7.497 -0.669 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.060 7.887 -1.413 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -16.435 8.568 -0.890 1.00 1.00 C ATOM 0 H VAL A 91 -14.229 5.110 -2.116 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.600 5.750 -0.466 1.00 1.00 H new ATOM 0 HB VAL A 91 -15.131 7.432 0.397 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -13.715 8.858 -1.059 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -13.291 7.138 -1.225 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -14.260 7.941 -2.483 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -16.071 9.534 -0.540 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -16.671 8.633 -1.952 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -17.332 8.296 -0.334 1.00 1.00 H new ATOM 1475 N ASN A 92 -16.181 7.280 -3.255 1.00 1.00 N ATOM 1476 CA ASN A 92 -16.776 7.485 -4.606 1.00 1.00 C ATOM 1477 C ASN A 92 -16.163 6.487 -5.582 1.00 1.00 C ATOM 1478 O ASN A 92 -15.746 6.839 -6.667 1.00 1.00 O ATOM 1479 CB ASN A 92 -16.488 8.910 -5.081 1.00 1.00 C ATOM 1480 CG ASN A 92 -17.325 9.899 -4.267 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -16.789 10.701 -3.528 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -18.626 9.877 -4.372 1.00 1.00 N ATOM 0 H ASN A 92 -15.525 8.004 -2.962 1.00 1.00 H new ATOM 0 HA ASN A 92 -17.854 7.333 -4.558 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -15.428 9.135 -4.967 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -16.722 9.006 -6.141 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -19.192 10.533 -3.834 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -19.076 9.204 -4.992 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.094 5.248 -5.189 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.499 4.201 -6.068 1.00 1.00 C ATOM 1491 C GLN A 93 -14.021 4.521 -6.287 1.00 1.00 C ATOM 1492 O GLN A 93 -13.486 4.344 -7.363 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.228 4.165 -7.420 1.00 1.00 C ATOM 1494 CG GLN A 93 -17.718 3.891 -7.197 1.00 1.00 C ATOM 1495 CD GLN A 93 -18.418 5.177 -6.754 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -18.416 6.160 -7.469 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -19.019 5.213 -5.597 1.00 1.00 N ATOM 0 H GLN A 93 -16.428 4.910 -4.286 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.602 3.226 -5.592 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -16.097 5.114 -7.940 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -15.797 3.391 -8.056 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -18.170 3.517 -8.116 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -17.846 3.117 -6.441 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -19.021 4.388 -4.997 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -19.487 6.066 -5.292 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.364 4.990 -5.262 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.919 5.336 -5.370 1.00 1.00 C ATOM 1508 C LEU A 94 -11.243 5.025 -4.024 1.00 1.00 C ATOM 1509 O LEU A 94 -11.624 5.565 -3.005 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.786 6.838 -5.670 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.846 7.084 -7.189 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -12.491 8.446 -7.464 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.431 7.068 -7.775 1.00 1.00 C ATOM 0 H LEU A 94 -13.773 5.150 -4.342 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.449 4.761 -6.168 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.586 7.388 -5.173 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.844 7.214 -5.270 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.439 6.297 -7.654 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -12.533 8.618 -8.539 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -13.501 8.459 -7.055 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -11.899 9.231 -6.993 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.480 7.243 -8.850 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -9.835 7.851 -7.307 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -9.970 6.099 -7.586 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.253 4.162 -4.005 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.544 3.796 -2.743 1.00 1.00 C ATOM 1527 C PRO A 95 -8.603 4.910 -2.283 1.00 1.00 C ATOM 1528 O PRO A 95 -7.772 5.374 -3.039 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.757 2.539 -3.124 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.523 2.650 -4.595 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.697 3.448 -5.170 1.00 1.00 C ATOM 0 HA PRO A 95 -10.230 3.636 -1.911 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.815 2.485 -2.579 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.317 1.636 -2.882 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.577 3.152 -4.799 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.465 1.663 -5.053 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.366 4.142 -5.942 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.439 2.793 -5.627 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.732 5.365 -1.059 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.843 6.467 -0.593 1.00 1.00 C ATOM 1541 C ILE A 96 -7.382 6.250 0.855 1.00 1.00 C ATOM 1542 O ILE A 96 -6.484 6.930 1.313 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.598 7.796 -0.702 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.837 7.772 0.211 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.046 8.007 -2.154 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.455 8.143 1.649 1.00 1.00 C ATOM 0 H ILE A 96 -9.406 5.024 -0.373 1.00 1.00 H new ATOM 0 HA ILE A 96 -6.954 6.482 -1.224 1.00 1.00 H new ATOM 0 HB ILE A 96 -7.939 8.608 -0.394 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.585 8.470 -0.164 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.289 6.780 0.193 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.584 8.952 -2.235 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.172 8.030 -2.805 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.701 7.190 -2.455 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.344 8.120 2.279 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.724 7.428 2.027 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.025 9.144 1.664 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.968 5.334 1.596 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.511 5.146 3.011 1.00 1.00 C ATOM 1560 C HIS A 97 -6.884 3.760 3.191 1.00 1.00 C ATOM 1561 O HIS A 97 -7.394 2.763 2.717 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.709 5.294 3.960 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.618 6.590 4.727 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -9.196 6.743 5.980 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -8.026 7.797 4.439 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -8.943 7.999 6.394 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -8.235 8.679 5.492 1.00 1.00 N ATOM 0 H HIS A 97 -8.725 4.723 1.290 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.762 5.903 3.242 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.638 5.266 3.390 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.736 4.454 4.655 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -7.482 8.024 3.534 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -9.273 8.405 7.339 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -7.914 9.645 5.561 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.781 3.700 3.894 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.101 2.397 4.143 1.00 1.00 C ATOM 1578 C PHE A 98 -5.316 2.010 5.606 1.00 1.00 C ATOM 1579 O PHE A 98 -4.657 2.514 6.494 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.601 2.538 3.871 1.00 1.00 C ATOM 1581 CG PHE A 98 -2.898 1.254 4.244 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.068 0.109 3.457 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.077 1.208 5.379 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.417 -1.081 3.802 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.426 0.017 5.723 1.00 1.00 C ATOM 1586 CZ PHE A 98 -1.596 -1.127 4.935 1.00 1.00 C ATOM 0 H PHE A 98 -5.319 4.509 4.310 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.512 1.631 3.485 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.431 2.765 2.819 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.193 3.369 4.446 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -3.702 0.144 2.583 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -1.947 2.090 5.988 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.548 -1.964 3.194 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -0.792 -0.019 6.597 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.094 -2.045 5.201 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.239 1.130 5.865 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.505 0.723 7.271 1.00 1.00 C ATOM 1598 C ALA A 99 -5.224 0.164 7.898 1.00 1.00 C ATOM 1599 O ALA A 99 -4.606 0.793 8.733 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.599 -0.347 7.283 1.00 1.00 C ATOM 0 H ALA A 99 -6.822 0.674 5.163 1.00 1.00 H new ATOM 0 HA ALA A 99 -6.833 1.587 7.848 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -7.800 -0.651 8.310 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.509 0.058 6.840 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.269 -1.212 6.707 1.00 1.00 H new ATOM 1606 N GLY A 100 -4.819 -1.014 7.505 1.00 1.00 N ATOM 1607 CA GLY A 100 -3.579 -1.604 8.084 1.00 1.00 C ATOM 1608 C GLY A 100 -3.254 -2.920 7.374 1.00 1.00 C ATOM 1609 O GLY A 100 -3.806 -3.228 6.336 1.00 1.00 O ATOM 0 H GLY A 100 -5.292 -1.591 6.810 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -2.748 -0.907 7.976 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -3.712 -1.779 9.152 1.00 1.00 H new ATOM 1613 N VAL A 101 -2.363 -3.697 7.926 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.002 -4.993 7.283 1.00 1.00 C ATOM 1615 C VAL A 101 -3.039 -6.054 7.653 1.00 1.00 C ATOM 1616 O VAL A 101 -3.748 -5.930 8.633 1.00 1.00 O ATOM 1617 CB VAL A 101 -0.621 -5.440 7.767 1.00 1.00 C ATOM 1618 CG1 VAL A 101 0.339 -4.252 7.729 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.721 -5.970 9.202 1.00 1.00 C ATOM 0 H VAL A 101 -1.869 -3.491 8.794 1.00 1.00 H new ATOM 0 HA VAL A 101 -1.983 -4.865 6.201 1.00 1.00 H new ATOM 0 HB VAL A 101 -0.250 -6.232 7.116 1.00 1.00 H new ATOM 0 HG11 VAL A 101 1.323 -4.569 8.074 1.00 1.00 H new ATOM 0 HG12 VAL A 101 0.415 -3.878 6.708 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -0.035 -3.461 8.378 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.265 -6.287 9.542 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -1.094 -5.182 9.856 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -1.405 -6.819 9.230 1.00 1.00 H new ATOM 1629 N GLY A 102 -3.130 -7.097 6.879 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.116 -8.167 7.189 1.00 1.00 C ATOM 1631 C GLY A 102 -5.516 -7.559 7.283 1.00 1.00 C ATOM 1632 O GLY A 102 -5.749 -6.446 6.853 1.00 1.00 O ATOM 0 H GLY A 102 -2.564 -7.255 6.045 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.092 -8.934 6.415 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -3.856 -8.655 8.128 1.00 1.00 H new ATOM 1636 N SER A 103 -6.451 -8.278 7.840 1.00 1.00 N ATOM 1637 CA SER A 103 -7.834 -7.737 7.960 1.00 1.00 C ATOM 1638 C SER A 103 -7.856 -6.619 9.004 1.00 1.00 C ATOM 1639 O SER A 103 -7.006 -6.549 9.870 1.00 1.00 O ATOM 1640 CB SER A 103 -8.784 -8.856 8.389 1.00 1.00 C ATOM 1641 OG SER A 103 -8.640 -9.959 7.505 1.00 1.00 O ATOM 0 H SER A 103 -6.317 -9.216 8.217 1.00 1.00 H new ATOM 0 HA SER A 103 -8.154 -7.340 6.997 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.564 -9.163 9.411 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.814 -8.499 8.378 1.00 1.00 H new ATOM 0 HG SER A 103 -9.246 -10.679 7.778 1.00 1.00 H new ATOM 1647 N CYS A 104 -8.820 -5.744 8.927 1.00 1.00 N ATOM 1648 CA CYS A 104 -8.895 -4.630 9.915 1.00 1.00 C ATOM 1649 C CYS A 104 -8.855 -5.210 11.333 1.00 1.00 C ATOM 1650 O CYS A 104 -9.070 -6.390 11.534 1.00 1.00 O ATOM 1651 CB CYS A 104 -10.202 -3.850 9.702 1.00 1.00 C ATOM 1652 SG CYS A 104 -9.831 -2.166 9.146 1.00 1.00 S ATOM 0 H CYS A 104 -9.559 -5.752 8.224 1.00 1.00 H new ATOM 0 HA CYS A 104 -8.050 -3.955 9.780 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -10.823 -4.358 8.964 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -10.772 -3.819 10.630 1.00 1.00 H new ATOM 1657 N PRO A 105 -8.580 -4.386 12.311 1.00 1.00 N ATOM 1658 CA PRO A 105 -8.510 -4.819 13.734 1.00 1.00 C ATOM 1659 C PRO A 105 -9.626 -5.804 14.098 1.00 1.00 C ATOM 1660 O PRO A 105 -10.651 -5.778 13.438 1.00 1.00 O ATOM 1661 CB PRO A 105 -8.670 -3.511 14.508 1.00 1.00 C ATOM 1662 CG PRO A 105 -8.106 -2.456 13.609 1.00 1.00 C ATOM 1663 CD PRO A 105 -8.307 -2.946 12.169 1.00 1.00 C ATOM 1664 OXT PRO A 105 -9.435 -6.568 15.030 1.00 1.00 O ATOM 0 HA PRO A 105 -7.584 -5.349 13.957 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -9.717 -3.314 14.738 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -8.136 -3.547 15.458 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -8.611 -1.503 13.767 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -7.049 -2.295 13.818 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -9.136 -2.430 11.685 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -7.421 -2.767 11.560 1.00 1.00 H new TER 1672 PRO A 105