USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= -0.628! C(o=-0.48!,f=-7!) USER MOD Set 1.2: A 55 SER OG : rot 72:sc= 0.149 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 5 LYS NZ :NH3+ 156:sc= 1.3 (180deg=1.24) USER MOD Single : A 8 CYS SG : rot 158:sc= 0.089 USER MOD Single : A 9 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0383) USER MOD Single : A 17 THR OG1 : rot -140:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.164 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.242 F(o=-1.1,f=-0.24) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-2.6) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.13! C(o=-4.1!,f=-11!) USER MOD Single : A 43 SER OG : rot -86:sc= -0.607 USER MOD Single : A 51 SER OG : rot 73:sc= 1.19 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc=-0.00738 K(o=-0.0074,f=-0.77) USER MOD Single : A 70 SER OG : rot 100:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 143:sc= -1.55! (180deg=-3.31!) USER MOD Single : A 75 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.2!) USER MOD Single : A 80 SER OG : rot 165:sc= 1.2 USER MOD Single : A 84 CYS SG : rot 177:sc= 1.97 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN :FLIP amide:sc= -0.749 F(o=-5!,f=-0.75) USER MOD Single : A 91 SER OG : rot 156:sc= -1.43 USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= 1.17 (180deg=1.06) USER MOD Single : A 94 HIS : no HD1:sc= -1.96! X(o=-2!,f=-1.7) USER MOD Single : A 95 TYR OH : rot 180:sc= 1.22 USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.19) USER MOD Single : A 105 GLN : amide:sc= -0.541 K(o=-0.54,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -14.881 6.901 5.667 1.00 0.00 N ATOM 29 CA GLN A 3 -15.224 6.763 4.263 1.00 0.00 C ATOM 30 C GLN A 3 -14.650 5.463 3.711 1.00 0.00 C ATOM 31 O GLN A 3 -13.455 5.375 3.438 1.00 0.00 O ATOM 32 CB GLN A 3 -14.693 7.954 3.456 1.00 0.00 C ATOM 33 CG GLN A 3 -15.168 7.969 2.011 1.00 0.00 C ATOM 34 CD GLN A 3 -14.502 9.050 1.183 1.00 0.00 C ATOM 35 OE1 GLN A 3 -13.462 8.824 0.567 1.00 0.00 O ATOM 36 NE2 GLN A 3 -15.091 10.233 1.164 1.00 0.00 N ATOM 0 HA GLN A 3 -16.310 6.742 4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.004 8.879 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.603 7.936 3.472 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.970 6.997 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -16.248 8.116 1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.953 10.382 1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.683 10.997 0.625 1.00 0.00 H new ATOM 45 N TRP A 4 -15.491 4.445 3.601 1.00 0.00 N ATOM 46 CA TRP A 4 -15.094 3.196 2.966 1.00 0.00 C ATOM 47 C TRP A 4 -15.391 3.264 1.477 1.00 0.00 C ATOM 48 O TRP A 4 -16.520 3.024 1.049 1.00 0.00 O ATOM 49 CB TRP A 4 -15.820 1.997 3.587 1.00 0.00 C ATOM 50 CG TRP A 4 -15.257 1.549 4.903 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.796 1.750 6.142 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.045 0.811 5.106 1.00 0.00 C ATOM 53 NE1 TRP A 4 -14.992 1.179 7.102 1.00 0.00 N ATOM 54 CE2 TRP A 4 -13.912 0.598 6.490 1.00 0.00 C ATOM 55 CE3 TRP A 4 -13.058 0.310 4.252 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -12.835 -0.095 7.037 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -11.990 -0.376 4.797 1.00 0.00 C ATOM 58 CH2 TRP A 4 -11.886 -0.573 6.178 1.00 0.00 C ATOM 0 H TRP A 4 -16.452 4.459 3.943 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.024 3.059 3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.871 2.254 3.723 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.784 1.163 2.887 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.717 2.279 6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.171 1.187 8.106 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.129 0.457 3.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.753 -0.249 8.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.222 -0.767 4.146 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -11.039 -1.114 6.573 1.00 0.00 H new ATOM 69 N LYS A 5 -14.389 3.624 0.695 1.00 0.00 N ATOM 70 CA LYS A 5 -14.568 3.771 -0.739 1.00 0.00 C ATOM 71 C LYS A 5 -14.298 2.455 -1.455 1.00 0.00 C ATOM 72 O LYS A 5 -13.217 1.877 -1.317 1.00 0.00 O ATOM 73 CB LYS A 5 -13.643 4.866 -1.280 1.00 0.00 C ATOM 74 CG LYS A 5 -13.756 5.078 -2.782 1.00 0.00 C ATOM 75 CD LYS A 5 -12.828 6.183 -3.257 1.00 0.00 C ATOM 76 CE LYS A 5 -12.901 6.368 -4.765 1.00 0.00 C ATOM 77 NZ LYS A 5 -12.017 7.471 -5.230 1.00 0.00 N ATOM 0 H LYS A 5 -13.445 3.820 1.027 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.603 4.058 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.869 5.804 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.612 4.611 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.515 4.150 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.785 5.329 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.092 7.118 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.804 5.948 -2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.615 5.440 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.930 6.580 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.771 7.321 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.513 8.380 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.149 7.485 -4.658 1.00 0.00 H new ATOM 91 N ASP A 6 -15.291 1.977 -2.196 1.00 0.00 N ATOM 92 CA ASP A 6 -15.136 0.775 -3.008 1.00 0.00 C ATOM 93 C ASP A 6 -14.199 1.068 -4.170 1.00 0.00 C ATOM 94 O ASP A 6 -14.528 1.859 -5.055 1.00 0.00 O ATOM 95 CB ASP A 6 -16.491 0.301 -3.556 1.00 0.00 C ATOM 96 CG ASP A 6 -17.534 0.089 -2.477 1.00 0.00 C ATOM 97 OD1 ASP A 6 -18.177 1.078 -2.067 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.738 -1.066 -2.044 1.00 0.00 O ATOM 0 H ASP A 6 -16.215 2.405 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.722 -0.014 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.862 1.035 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.348 -0.632 -4.102 1.00 0.00 H new ATOM 103 N ILE A 7 -13.025 0.457 -4.158 1.00 0.00 N ATOM 104 CA ILE A 7 -12.039 0.680 -5.206 1.00 0.00 C ATOM 105 C ILE A 7 -12.361 -0.180 -6.418 1.00 0.00 C ATOM 106 O ILE A 7 -12.763 0.319 -7.472 1.00 0.00 O ATOM 107 CB ILE A 7 -10.612 0.343 -4.719 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.306 1.072 -3.407 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.583 0.701 -5.783 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.420 2.576 -3.506 1.00 0.00 C ATOM 0 H ILE A 7 -12.730 -0.198 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.078 1.736 -5.474 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.556 -0.730 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.988 0.715 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.297 0.813 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.585 0.456 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.788 0.136 -6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.639 1.768 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.189 3.023 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.718 2.946 -4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.435 2.846 -3.797 1.00 0.00 H new ATOM 122 N CYS A 8 -12.182 -1.474 -6.245 1.00 0.00 N ATOM 123 CA CYS A 8 -12.486 -2.457 -7.263 1.00 0.00 C ATOM 124 C CYS A 8 -12.585 -3.815 -6.591 1.00 0.00 C ATOM 125 O CYS A 8 -12.364 -3.920 -5.386 1.00 0.00 O ATOM 126 CB CYS A 8 -11.415 -2.460 -8.362 1.00 0.00 C ATOM 127 SG CYS A 8 -9.719 -2.641 -7.758 1.00 0.00 S ATOM 0 H CYS A 8 -11.817 -1.877 -5.382 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.432 -2.213 -7.746 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.628 -3.272 -9.057 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.489 -1.530 -8.926 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.965 -3.098 -8.713 1.00 0.00 H new ATOM 133 N LYS A 9 -12.916 -4.843 -7.341 1.00 0.00 N ATOM 134 CA LYS A 9 -13.081 -6.160 -6.756 1.00 0.00 C ATOM 135 C LYS A 9 -11.729 -6.842 -6.588 1.00 0.00 C ATOM 136 O LYS A 9 -10.754 -6.489 -7.252 1.00 0.00 O ATOM 137 CB LYS A 9 -14.017 -7.012 -7.613 1.00 0.00 C ATOM 138 CG LYS A 9 -15.339 -6.324 -7.919 1.00 0.00 C ATOM 139 CD LYS A 9 -16.292 -7.243 -8.660 1.00 0.00 C ATOM 140 CE LYS A 9 -17.493 -6.483 -9.204 1.00 0.00 C ATOM 141 NZ LYS A 9 -18.267 -5.801 -8.130 1.00 0.00 N ATOM 0 H LYS A 9 -13.075 -4.797 -8.347 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.530 -6.048 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.518 -7.259 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.214 -7.953 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.801 -5.994 -6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.155 -5.432 -8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.765 -7.729 -9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.633 -8.032 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.153 -5.743 -9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.147 -7.174 -9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.120 -5.369 -8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.543 -6.495 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.679 -5.062 -7.694 1.00 0.00 H new ATOM 155 N ILE A 10 -11.682 -7.824 -5.699 1.00 0.00 N ATOM 156 CA ILE A 10 -10.450 -8.546 -5.396 1.00 0.00 C ATOM 157 C ILE A 10 -9.991 -9.373 -6.604 1.00 0.00 C ATOM 158 O ILE A 10 -8.874 -9.882 -6.645 1.00 0.00 O ATOM 159 CB ILE A 10 -10.647 -9.460 -4.159 1.00 0.00 C ATOM 160 CG1 ILE A 10 -9.304 -9.950 -3.622 1.00 0.00 C ATOM 161 CG2 ILE A 10 -11.544 -10.644 -4.495 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.422 -8.837 -3.102 1.00 0.00 C ATOM 0 H ILE A 10 -12.492 -8.143 -5.168 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.675 -7.814 -5.168 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.133 -8.868 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.482 -10.667 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.777 -10.481 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.667 -11.270 -3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.519 -10.281 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.089 -11.230 -5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.485 -9.256 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.214 -8.131 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.930 -8.320 -2.288 1.00 0.00 H new ATOM 174 N ASP A 11 -10.867 -9.485 -7.591 1.00 0.00 N ATOM 175 CA ASP A 11 -10.556 -10.185 -8.831 1.00 0.00 C ATOM 176 C ASP A 11 -9.690 -9.307 -9.734 1.00 0.00 C ATOM 177 O ASP A 11 -8.974 -9.803 -10.603 1.00 0.00 O ATOM 178 CB ASP A 11 -11.860 -10.562 -9.544 1.00 0.00 C ATOM 179 CG ASP A 11 -11.642 -11.373 -10.807 1.00 0.00 C ATOM 180 OD1 ASP A 11 -11.481 -10.772 -11.888 1.00 0.00 O ATOM 181 OD2 ASP A 11 -11.673 -12.620 -10.732 1.00 0.00 O ATOM 0 H ASP A 11 -11.809 -9.096 -7.557 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.998 -11.093 -8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.489 -11.131 -8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.405 -9.652 -9.795 1.00 0.00 H new ATOM 186 N ASP A 12 -9.746 -7.999 -9.501 1.00 0.00 N ATOM 187 CA ASP A 12 -9.017 -7.042 -10.324 1.00 0.00 C ATOM 188 C ASP A 12 -7.560 -6.961 -9.905 1.00 0.00 C ATOM 189 O ASP A 12 -6.654 -7.048 -10.733 1.00 0.00 O ATOM 190 CB ASP A 12 -9.659 -5.656 -10.240 1.00 0.00 C ATOM 191 CG ASP A 12 -9.012 -4.661 -11.183 1.00 0.00 C ATOM 192 OD1 ASP A 12 -9.287 -4.732 -12.405 1.00 0.00 O ATOM 193 OD2 ASP A 12 -8.243 -3.797 -10.713 1.00 0.00 O ATOM 0 H ASP A 12 -10.290 -7.578 -8.748 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.063 -7.391 -11.356 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.721 -5.736 -10.473 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.584 -5.285 -9.218 1.00 0.00 H new ATOM 198 N ILE A 13 -7.346 -6.796 -8.615 1.00 0.00 N ATOM 199 CA ILE A 13 -5.998 -6.735 -8.067 1.00 0.00 C ATOM 200 C ILE A 13 -5.508 -8.141 -7.762 1.00 0.00 C ATOM 201 O ILE A 13 -5.897 -8.743 -6.764 1.00 0.00 O ATOM 202 CB ILE A 13 -5.930 -5.883 -6.778 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.642 -4.541 -6.981 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.476 -5.656 -6.371 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.765 -3.722 -5.714 1.00 0.00 C ATOM 0 H ILE A 13 -8.088 -6.701 -7.922 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.362 -6.262 -8.815 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.437 -6.424 -5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.100 -3.961 -7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.638 -4.725 -7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.442 -5.055 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.995 -6.617 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.951 -5.134 -7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.279 -2.786 -5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.334 -4.283 -4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.771 -3.506 -5.322 1.00 0.00 H new ATOM 217 N LEU A 14 -4.676 -8.668 -8.642 1.00 0.00 N ATOM 218 CA LEU A 14 -4.171 -10.024 -8.502 1.00 0.00 C ATOM 219 C LEU A 14 -3.075 -10.091 -7.437 1.00 0.00 C ATOM 220 O LEU A 14 -2.593 -9.057 -6.971 1.00 0.00 O ATOM 221 CB LEU A 14 -3.639 -10.513 -9.854 1.00 0.00 C ATOM 222 CG LEU A 14 -4.665 -10.526 -10.988 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.025 -11.007 -12.279 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.854 -11.402 -10.624 1.00 0.00 C ATOM 0 H LEU A 14 -4.333 -8.175 -9.466 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.986 -10.673 -8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.803 -9.879 -10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.246 -11.522 -9.729 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.023 -9.507 -11.139 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.770 -11.010 -13.075 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.207 -10.340 -12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.639 -12.017 -12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.573 -11.398 -11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.513 -12.422 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.329 -11.014 -9.723 1.00 0.00 H new ATOM 236 N PRO A 15 -2.687 -11.305 -7.013 1.00 0.00 N ATOM 237 CA PRO A 15 -1.572 -11.500 -6.081 1.00 0.00 C ATOM 238 C PRO A 15 -0.275 -10.898 -6.612 1.00 0.00 C ATOM 239 O PRO A 15 -0.015 -10.938 -7.819 1.00 0.00 O ATOM 240 CB PRO A 15 -1.445 -13.027 -5.978 1.00 0.00 C ATOM 241 CG PRO A 15 -2.194 -13.557 -7.151 1.00 0.00 C ATOM 242 CD PRO A 15 -3.304 -12.582 -7.389 1.00 0.00 C ATOM 0 HA PRO A 15 -1.752 -11.012 -5.123 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.401 -13.339 -6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.865 -13.396 -5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.548 -13.638 -8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.584 -14.555 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.631 -12.585 -8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.179 -12.806 -6.779 1.00 0.00 H new ATOM 250 N GLU A 16 0.523 -10.338 -5.706 1.00 0.00 N ATOM 251 CA GLU A 16 1.789 -9.695 -6.054 1.00 0.00 C ATOM 252 C GLU A 16 1.556 -8.509 -6.983 1.00 0.00 C ATOM 253 O GLU A 16 2.373 -8.220 -7.855 1.00 0.00 O ATOM 254 CB GLU A 16 2.749 -10.690 -6.708 1.00 0.00 C ATOM 255 CG GLU A 16 3.192 -11.811 -5.787 1.00 0.00 C ATOM 256 CD GLU A 16 4.164 -12.749 -6.462 1.00 0.00 C ATOM 257 OE1 GLU A 16 5.375 -12.451 -6.474 1.00 0.00 O ATOM 258 OE2 GLU A 16 3.724 -13.794 -6.986 1.00 0.00 O ATOM 0 H GLU A 16 0.310 -10.317 -4.709 1.00 0.00 H new ATOM 0 HA GLU A 16 2.241 -9.334 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.267 -11.122 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.630 -10.153 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.657 -11.386 -4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.319 -12.372 -5.454 1.00 0.00 H new ATOM 265 N THR A 17 0.451 -7.812 -6.777 1.00 0.00 N ATOM 266 CA THR A 17 0.108 -6.689 -7.633 1.00 0.00 C ATOM 267 C THR A 17 -0.150 -5.435 -6.807 1.00 0.00 C ATOM 268 O THR A 17 -0.800 -5.488 -5.759 1.00 0.00 O ATOM 269 CB THR A 17 -1.131 -6.997 -8.499 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.981 -8.277 -9.125 1.00 0.00 O ATOM 271 CG2 THR A 17 -1.337 -5.932 -9.567 1.00 0.00 C ATOM 0 H THR A 17 -0.219 -8.002 -6.031 1.00 0.00 H new ATOM 0 HA THR A 17 0.959 -6.516 -8.292 1.00 0.00 H new ATOM 0 HB THR A 17 -2.004 -7.004 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.318 -8.233 -10.044 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.218 -6.178 -10.161 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.479 -4.962 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.462 -5.893 -10.215 1.00 0.00 H new ATOM 279 N GLY A 18 0.383 -4.319 -7.277 1.00 0.00 N ATOM 280 CA GLY A 18 0.133 -3.047 -6.641 1.00 0.00 C ATOM 281 C GLY A 18 -0.544 -2.088 -7.592 1.00 0.00 C ATOM 282 O GLY A 18 -0.210 -2.041 -8.777 1.00 0.00 O ATOM 0 H GLY A 18 0.990 -4.274 -8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.493 -3.194 -5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.074 -2.618 -6.296 1.00 0.00 H new ATOM 286 N VAL A 19 -1.507 -1.339 -7.085 1.00 0.00 N ATOM 287 CA VAL A 19 -2.276 -0.427 -7.915 1.00 0.00 C ATOM 288 C VAL A 19 -2.331 0.961 -7.292 1.00 0.00 C ATOM 289 O VAL A 19 -2.306 1.107 -6.068 1.00 0.00 O ATOM 290 CB VAL A 19 -3.719 -0.934 -8.145 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.717 -2.260 -8.892 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.467 -1.067 -6.825 1.00 0.00 C ATOM 0 H VAL A 19 -1.776 -1.344 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.767 -0.377 -8.877 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.237 -0.197 -8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.743 -2.595 -9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.233 -2.131 -9.860 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.173 -3.004 -8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.479 -1.425 -7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.946 -1.776 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.512 -0.095 -6.333 1.00 0.00 H new ATOM 302 N CYS A 20 -2.400 1.974 -8.136 1.00 0.00 N ATOM 303 CA CYS A 20 -2.515 3.342 -7.675 1.00 0.00 C ATOM 304 C CYS A 20 -3.972 3.786 -7.707 1.00 0.00 C ATOM 305 O CYS A 20 -4.584 3.879 -8.772 1.00 0.00 O ATOM 306 CB CYS A 20 -1.642 4.260 -8.533 1.00 0.00 C ATOM 307 SG CYS A 20 -1.791 3.971 -10.314 1.00 0.00 S ATOM 0 H CYS A 20 -2.378 1.872 -9.151 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.164 3.403 -6.645 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.905 5.296 -8.321 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.600 4.130 -8.241 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.017 4.797 -10.954 1.00 0.00 H new ATOM 313 N ALA A 21 -4.530 4.023 -6.533 1.00 0.00 N ATOM 314 CA ALA A 21 -5.910 4.455 -6.413 1.00 0.00 C ATOM 315 C ALA A 21 -5.973 5.868 -5.852 1.00 0.00 C ATOM 316 O ALA A 21 -4.940 6.474 -5.560 1.00 0.00 O ATOM 317 CB ALA A 21 -6.692 3.494 -5.529 1.00 0.00 C ATOM 0 H ALA A 21 -4.043 3.922 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.363 4.456 -7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.725 3.832 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.670 2.496 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.242 3.464 -4.537 1.00 0.00 H new ATOM 323 N LEU A 22 -7.179 6.390 -5.691 1.00 0.00 N ATOM 324 CA LEU A 22 -7.359 7.739 -5.178 1.00 0.00 C ATOM 325 C LEU A 22 -8.376 7.756 -4.047 1.00 0.00 C ATOM 326 O LEU A 22 -9.503 7.283 -4.207 1.00 0.00 O ATOM 327 CB LEU A 22 -7.820 8.674 -6.299 1.00 0.00 C ATOM 328 CG LEU A 22 -6.830 8.855 -7.450 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.470 9.647 -8.575 1.00 0.00 C ATOM 330 CD2 LEU A 22 -5.565 9.550 -6.965 1.00 0.00 C ATOM 0 H LEU A 22 -8.047 5.900 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.401 8.085 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.757 8.293 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.033 9.652 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.557 7.870 -7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.754 9.768 -9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.348 9.115 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.769 10.628 -8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.873 9.670 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.820 10.530 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.095 8.949 -6.187 1.00 0.00 H new ATOM 342 N LEU A 23 -7.970 8.289 -2.906 1.00 0.00 N ATOM 343 CA LEU A 23 -8.880 8.490 -1.791 1.00 0.00 C ATOM 344 C LEU A 23 -8.977 9.978 -1.510 1.00 0.00 C ATOM 345 O LEU A 23 -7.986 10.611 -1.136 1.00 0.00 O ATOM 346 CB LEU A 23 -8.404 7.744 -0.543 1.00 0.00 C ATOM 347 CG LEU A 23 -9.376 7.782 0.639 1.00 0.00 C ATOM 348 CD1 LEU A 23 -10.655 7.030 0.307 1.00 0.00 C ATOM 349 CD2 LEU A 23 -8.729 7.206 1.887 1.00 0.00 C ATOM 0 H LEU A 23 -7.012 8.591 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.860 8.092 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.218 6.703 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.451 8.168 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.631 8.824 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.332 7.069 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.134 7.490 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.417 5.991 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.438 7.243 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.440 6.171 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.844 7.790 2.141 1.00 0.00 H new ATOM 361 N GLY A 24 -10.158 10.538 -1.706 1.00 0.00 N ATOM 362 CA GLY A 24 -10.306 11.973 -1.635 1.00 0.00 C ATOM 363 C GLY A 24 -9.625 12.640 -2.811 1.00 0.00 C ATOM 364 O GLY A 24 -10.156 12.648 -3.920 1.00 0.00 O ATOM 0 H GLY A 24 -11.015 10.025 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.364 12.234 -1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.878 12.342 -0.703 1.00 0.00 H new ATOM 368 N ASP A 25 -8.451 13.202 -2.573 1.00 0.00 N ATOM 369 CA ASP A 25 -7.639 13.746 -3.654 1.00 0.00 C ATOM 370 C ASP A 25 -6.215 13.213 -3.569 1.00 0.00 C ATOM 371 O ASP A 25 -5.367 13.539 -4.403 1.00 0.00 O ATOM 372 CB ASP A 25 -7.632 15.280 -3.630 1.00 0.00 C ATOM 373 CG ASP A 25 -6.912 15.859 -2.426 1.00 0.00 C ATOM 374 OD1 ASP A 25 -5.682 16.072 -2.504 1.00 0.00 O ATOM 375 OD2 ASP A 25 -7.574 16.114 -1.397 1.00 0.00 O ATOM 0 H ASP A 25 -8.038 13.294 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.082 13.425 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.158 15.648 -4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.660 15.641 -3.638 1.00 0.00 H new ATOM 380 N GLU A 26 -5.956 12.380 -2.568 1.00 0.00 N ATOM 381 CA GLU A 26 -4.617 11.855 -2.348 1.00 0.00 C ATOM 382 C GLU A 26 -4.430 10.525 -3.068 1.00 0.00 C ATOM 383 O GLU A 26 -5.374 9.746 -3.230 1.00 0.00 O ATOM 384 CB GLU A 26 -4.332 11.692 -0.853 1.00 0.00 C ATOM 385 CG GLU A 26 -2.881 11.340 -0.549 1.00 0.00 C ATOM 386 CD GLU A 26 -2.580 11.298 0.933 1.00 0.00 C ATOM 387 OE1 GLU A 26 -2.648 12.366 1.584 1.00 0.00 O ATOM 388 OE2 GLU A 26 -2.273 10.204 1.453 1.00 0.00 O ATOM 0 H GLU A 26 -6.654 12.055 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.907 12.573 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.589 12.618 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.979 10.913 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.649 10.370 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.228 12.071 -1.026 1.00 0.00 H new ATOM 395 N GLN A 27 -3.203 10.279 -3.500 1.00 0.00 N ATOM 396 CA GLN A 27 -2.868 9.070 -4.227 1.00 0.00 C ATOM 397 C GLN A 27 -2.512 7.949 -3.256 1.00 0.00 C ATOM 398 O GLN A 27 -1.562 8.063 -2.481 1.00 0.00 O ATOM 399 CB GLN A 27 -1.697 9.347 -5.173 1.00 0.00 C ATOM 400 CG GLN A 27 -1.955 10.514 -6.116 1.00 0.00 C ATOM 401 CD GLN A 27 -0.791 10.803 -7.047 1.00 0.00 C ATOM 402 OE1 GLN A 27 -0.061 9.770 -7.430 1.00 0.00 O flip ATOM 403 NE2 GLN A 27 -0.566 11.950 -7.432 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.415 10.911 -3.356 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.732 8.755 -4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.803 9.554 -4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.492 8.452 -5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.843 10.302 -6.711 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.171 11.406 -5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.154 12.720 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.208 12.131 -8.071 1.00 0.00 H new ATOM 412 N VAL A 28 -3.279 6.870 -3.298 1.00 0.00 N ATOM 413 CA VAL A 28 -3.074 5.742 -2.398 1.00 0.00 C ATOM 414 C VAL A 28 -2.591 4.522 -3.174 1.00 0.00 C ATOM 415 O VAL A 28 -3.134 4.195 -4.226 1.00 0.00 O ATOM 416 CB VAL A 28 -4.372 5.375 -1.639 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.122 4.253 -0.642 1.00 0.00 C ATOM 418 CG2 VAL A 28 -4.942 6.593 -0.934 1.00 0.00 C ATOM 0 H VAL A 28 -4.054 6.750 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.318 6.043 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.101 5.024 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.050 4.015 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.765 3.369 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.372 4.570 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.854 6.314 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.212 6.975 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.170 7.365 -1.669 1.00 0.00 H new ATOM 428 N ALA A 29 -1.569 3.866 -2.655 1.00 0.00 N ATOM 429 CA ALA A 29 -1.031 2.672 -3.277 1.00 0.00 C ATOM 430 C ALA A 29 -1.572 1.430 -2.582 1.00 0.00 C ATOM 431 O ALA A 29 -1.356 1.237 -1.383 1.00 0.00 O ATOM 432 CB ALA A 29 0.488 2.688 -3.226 1.00 0.00 C ATOM 0 H ALA A 29 -1.092 4.144 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.341 2.651 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.877 1.785 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.861 3.564 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.817 2.726 -2.187 1.00 0.00 H new ATOM 438 N ILE A 30 -2.288 0.608 -3.331 1.00 0.00 N ATOM 439 CA ILE A 30 -2.850 -0.619 -2.792 1.00 0.00 C ATOM 440 C ILE A 30 -2.002 -1.808 -3.217 1.00 0.00 C ATOM 441 O ILE A 30 -1.801 -2.037 -4.409 1.00 0.00 O ATOM 442 CB ILE A 30 -4.297 -0.844 -3.274 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.159 0.386 -2.980 1.00 0.00 C ATOM 444 CG2 ILE A 30 -4.891 -2.082 -2.614 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.559 0.289 -3.546 1.00 0.00 C ATOM 0 H ILE A 30 -2.494 0.769 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.856 -0.525 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.280 -1.002 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.221 0.528 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.670 1.270 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.913 -2.227 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.292 -2.955 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.894 -1.951 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.114 1.194 -3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.507 0.178 -4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.066 -0.575 -3.117 1.00 0.00 H new ATOM 457 N PHE A 31 -1.506 -2.556 -2.249 1.00 0.00 N ATOM 458 CA PHE A 31 -0.655 -3.697 -2.534 1.00 0.00 C ATOM 459 C PHE A 31 -1.290 -4.987 -2.040 1.00 0.00 C ATOM 460 O PHE A 31 -1.656 -5.104 -0.868 1.00 0.00 O ATOM 461 CB PHE A 31 0.718 -3.518 -1.881 1.00 0.00 C ATOM 462 CG PHE A 31 1.487 -2.335 -2.391 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.116 -2.380 -3.624 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.585 -1.178 -1.635 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.829 -1.296 -4.093 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.300 -0.092 -2.098 1.00 0.00 C ATOM 467 CZ PHE A 31 2.922 -0.150 -3.329 1.00 0.00 C ATOM 0 H PHE A 31 -1.678 -2.394 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.533 -3.759 -3.615 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.586 -3.416 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.308 -4.420 -2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.048 -3.274 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.097 -1.125 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.314 -1.344 -5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.373 0.803 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.480 0.700 -3.694 1.00 0.00 H new ATOM 477 N ARG A 32 -1.434 -5.944 -2.944 1.00 0.00 N ATOM 478 CA ARG A 32 -1.878 -7.279 -2.578 1.00 0.00 C ATOM 479 C ARG A 32 -0.706 -8.245 -2.701 1.00 0.00 C ATOM 480 O ARG A 32 -0.348 -8.656 -3.805 1.00 0.00 O ATOM 481 CB ARG A 32 -3.040 -7.738 -3.469 1.00 0.00 C ATOM 482 CG ARG A 32 -3.603 -9.097 -3.081 1.00 0.00 C ATOM 483 CD ARG A 32 -4.705 -9.535 -4.031 1.00 0.00 C ATOM 484 NE ARG A 32 -5.303 -10.811 -3.632 1.00 0.00 N ATOM 485 CZ ARG A 32 -6.142 -11.513 -4.396 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.488 -11.069 -5.596 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.648 -12.657 -3.952 1.00 0.00 N ATOM 0 H ARG A 32 -1.249 -5.820 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.236 -7.262 -1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.838 -6.997 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.700 -7.776 -4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.803 -9.838 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.994 -9.053 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.479 -8.768 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.299 -9.625 -5.039 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.064 -11.186 -2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.112 -10.186 -5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.130 -11.611 -6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.396 -13.001 -3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.289 -13.192 -4.537 1.00 0.00 H new ATOM 501 N PRO A 33 -0.070 -8.582 -1.569 1.00 0.00 N ATOM 502 CA PRO A 33 1.097 -9.466 -1.544 1.00 0.00 C ATOM 503 C PRO A 33 0.731 -10.947 -1.630 1.00 0.00 C ATOM 504 O PRO A 33 1.358 -11.710 -2.366 1.00 0.00 O ATOM 505 CB PRO A 33 1.736 -9.153 -0.191 1.00 0.00 C ATOM 506 CG PRO A 33 0.603 -8.725 0.679 1.00 0.00 C ATOM 507 CD PRO A 33 -0.428 -8.098 -0.222 1.00 0.00 C ATOM 0 HA PRO A 33 1.750 -9.296 -2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.241 -10.028 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.485 -8.366 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.182 -9.577 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.942 -8.013 1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.437 -8.401 0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.396 -7.010 -0.168 1.00 0.00 H new ATOM 515 N TYR A 34 -0.295 -11.347 -0.888 1.00 0.00 N ATOM 516 CA TYR A 34 -0.690 -12.746 -0.824 1.00 0.00 C ATOM 517 C TYR A 34 -1.709 -13.071 -1.900 1.00 0.00 C ATOM 518 O TYR A 34 -2.227 -12.183 -2.578 1.00 0.00 O ATOM 519 CB TYR A 34 -1.279 -13.085 0.550 1.00 0.00 C ATOM 520 CG TYR A 34 -0.282 -13.040 1.685 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.734 -13.982 1.780 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.362 -12.061 2.665 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.639 -13.952 2.824 1.00 0.00 C ATOM 524 CE2 TYR A 34 0.539 -12.023 3.711 1.00 0.00 C ATOM 525 CZ TYR A 34 1.540 -12.969 3.784 1.00 0.00 C ATOM 526 OH TYR A 34 2.439 -12.937 4.824 1.00 0.00 O ATOM 0 H TYR A 34 -0.868 -10.721 -0.322 1.00 0.00 H new ATOM 0 HA TYR A 34 0.205 -13.346 -0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.089 -12.389 0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.718 -14.082 0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.818 -14.750 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.142 -11.316 2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.420 -14.695 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.460 -11.257 4.468 1.00 0.00 H new ATOM 0 HH TYR A 34 2.231 -12.182 5.413 1.00 0.00 H new ATOM 536 N HIS A 35 -2.000 -14.353 -2.048 1.00 0.00 N ATOM 537 CA HIS A 35 -2.990 -14.807 -3.009 1.00 0.00 C ATOM 538 C HIS A 35 -4.371 -14.776 -2.370 1.00 0.00 C ATOM 539 O HIS A 35 -5.380 -15.054 -3.018 1.00 0.00 O ATOM 540 CB HIS A 35 -2.664 -16.227 -3.473 1.00 0.00 C ATOM 541 CG HIS A 35 -3.087 -16.517 -4.881 1.00 0.00 C ATOM 542 ND1 HIS A 35 -4.396 -16.462 -5.310 1.00 0.00 N ATOM 543 CD2 HIS A 35 -2.351 -16.846 -5.968 1.00 0.00 C ATOM 544 CE1 HIS A 35 -4.443 -16.742 -6.601 1.00 0.00 C ATOM 545 NE2 HIS A 35 -3.218 -16.977 -7.021 1.00 0.00 N ATOM 0 H HIS A 35 -1.561 -15.101 -1.511 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.976 -14.144 -3.874 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.590 -16.390 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.149 -16.938 -2.804 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.201 -16.240 -4.724 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.280 -16.980 -6.000 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.336 -16.773 -7.208 1.00 0.00 H new ATOM 554 N SER A 36 -4.396 -14.429 -1.092 1.00 0.00 N ATOM 555 CA SER A 36 -5.620 -14.415 -0.313 1.00 0.00 C ATOM 556 C SER A 36 -6.204 -12.999 -0.236 1.00 0.00 C ATOM 557 O SER A 36 -6.005 -12.188 -1.144 1.00 0.00 O ATOM 558 CB SER A 36 -5.313 -14.955 1.081 1.00 0.00 C ATOM 559 OG SER A 36 -4.388 -16.030 1.012 1.00 0.00 O ATOM 0 H SER A 36 -3.567 -14.150 -0.568 1.00 0.00 H new ATOM 0 HA SER A 36 -6.368 -15.046 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.906 -14.158 1.703 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.234 -15.292 1.557 1.00 0.00 H new ATOM 0 HG SER A 36 -4.203 -16.361 1.916 1.00 0.00 H new ATOM 565 N ASP A 37 -6.910 -12.709 0.854 1.00 0.00 N ATOM 566 CA ASP A 37 -7.673 -11.466 0.983 1.00 0.00 C ATOM 567 C ASP A 37 -6.851 -10.338 1.610 1.00 0.00 C ATOM 568 O ASP A 37 -7.385 -9.265 1.897 1.00 0.00 O ATOM 569 CB ASP A 37 -8.919 -11.702 1.846 1.00 0.00 C ATOM 570 CG ASP A 37 -9.868 -12.735 1.274 1.00 0.00 C ATOM 571 OD1 ASP A 37 -9.571 -13.946 1.379 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.931 -12.348 0.747 1.00 0.00 O ATOM 0 H ASP A 37 -6.971 -13.322 1.667 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.954 -11.163 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.607 -12.020 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.452 -10.759 1.965 1.00 0.00 H new ATOM 577 N GLN A 38 -5.561 -10.565 1.830 1.00 0.00 N ATOM 578 CA GLN A 38 -4.727 -9.560 2.485 1.00 0.00 C ATOM 579 C GLN A 38 -4.297 -8.471 1.507 1.00 0.00 C ATOM 580 O GLN A 38 -3.490 -8.710 0.606 1.00 0.00 O ATOM 581 CB GLN A 38 -3.486 -10.188 3.131 1.00 0.00 C ATOM 582 CG GLN A 38 -3.792 -11.123 4.292 1.00 0.00 C ATOM 583 CD GLN A 38 -4.301 -12.472 3.834 1.00 0.00 C ATOM 584 OE1 GLN A 38 -3.936 -12.946 2.763 1.00 0.00 O ATOM 585 NE2 GLN A 38 -5.151 -13.092 4.636 1.00 0.00 N ATOM 0 H GLN A 38 -5.074 -11.422 1.569 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.337 -9.110 3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.934 -10.740 2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.831 -9.391 3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.891 -11.262 4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.535 -10.660 4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.427 -12.661 5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.530 -14.002 4.372 1.00 0.00 H new ATOM 594 N VAL A 39 -4.853 -7.281 1.692 1.00 0.00 N ATOM 595 CA VAL A 39 -4.478 -6.113 0.906 1.00 0.00 C ATOM 596 C VAL A 39 -4.095 -4.963 1.834 1.00 0.00 C ATOM 597 O VAL A 39 -4.677 -4.806 2.908 1.00 0.00 O ATOM 598 CB VAL A 39 -5.617 -5.659 -0.039 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.845 -6.682 -1.140 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.904 -5.422 0.738 1.00 0.00 C ATOM 0 H VAL A 39 -5.575 -7.098 2.389 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.625 -6.395 0.289 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.315 -4.718 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.650 -6.342 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.931 -6.799 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.118 -7.639 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.690 -5.104 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.206 -6.345 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.740 -4.647 1.486 1.00 0.00 H new ATOM 610 N PHE A 40 -3.107 -4.181 1.433 1.00 0.00 N ATOM 611 CA PHE A 40 -2.635 -3.069 2.249 1.00 0.00 C ATOM 612 C PHE A 40 -2.634 -1.779 1.439 1.00 0.00 C ATOM 613 O PHE A 40 -2.432 -1.807 0.226 1.00 0.00 O ATOM 614 CB PHE A 40 -1.226 -3.357 2.778 1.00 0.00 C ATOM 615 CG PHE A 40 -1.141 -4.603 3.613 1.00 0.00 C ATOM 616 CD1 PHE A 40 -1.423 -4.563 4.968 1.00 0.00 C ATOM 617 CD2 PHE A 40 -0.786 -5.812 3.040 1.00 0.00 C ATOM 618 CE1 PHE A 40 -1.351 -5.708 5.737 1.00 0.00 C ATOM 619 CE2 PHE A 40 -0.713 -6.961 3.802 1.00 0.00 C ATOM 620 CZ PHE A 40 -0.996 -6.909 5.153 1.00 0.00 C ATOM 0 H PHE A 40 -2.614 -4.294 0.547 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.311 -2.951 3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.542 -3.447 1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.889 -2.508 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.702 -3.627 5.428 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.563 -5.857 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.572 -5.665 6.793 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.435 -7.898 3.343 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.940 -7.806 5.752 1.00 0.00 H new ATOM 630 N ALA A 41 -2.863 -0.655 2.109 1.00 0.00 N ATOM 631 CA ALA A 41 -2.903 0.635 1.439 1.00 0.00 C ATOM 632 C ALA A 41 -2.072 1.672 2.182 1.00 0.00 C ATOM 633 O ALA A 41 -2.215 1.852 3.396 1.00 0.00 O ATOM 634 CB ALA A 41 -4.335 1.118 1.307 1.00 0.00 C ATOM 0 H ALA A 41 -3.023 -0.613 3.115 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.475 0.505 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.348 2.085 0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.910 0.398 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.778 1.219 2.298 1.00 0.00 H new ATOM 640 N ILE A 42 -1.200 2.340 1.447 1.00 0.00 N ATOM 641 CA ILE A 42 -0.385 3.419 1.986 1.00 0.00 C ATOM 642 C ILE A 42 -0.380 4.584 1.004 1.00 0.00 C ATOM 643 O ILE A 42 -0.862 4.442 -0.117 1.00 0.00 O ATOM 644 CB ILE A 42 1.072 2.965 2.243 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.694 2.404 0.957 1.00 0.00 C ATOM 646 CG2 ILE A 42 1.125 1.934 3.367 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.148 2.000 1.107 1.00 0.00 C ATOM 0 H ILE A 42 -1.036 2.151 0.458 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.817 3.722 2.939 1.00 0.00 H new ATOM 0 HB ILE A 42 1.654 3.833 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.117 1.538 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.614 3.153 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.158 1.628 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.726 2.372 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.529 1.064 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.518 1.613 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.738 2.868 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.234 1.228 1.872 1.00 0.00 H new ATOM 659 N SER A 43 0.134 5.730 1.421 1.00 0.00 N ATOM 660 CA SER A 43 0.291 6.853 0.509 1.00 0.00 C ATOM 661 C SER A 43 1.216 6.456 -0.640 1.00 0.00 C ATOM 662 O SER A 43 2.301 5.925 -0.413 1.00 0.00 O ATOM 663 CB SER A 43 0.849 8.065 1.253 1.00 0.00 C ATOM 664 OG SER A 43 0.009 8.421 2.339 1.00 0.00 O ATOM 0 H SER A 43 0.447 5.907 2.375 1.00 0.00 H new ATOM 0 HA SER A 43 -0.683 7.122 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.851 7.842 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.941 8.907 0.567 1.00 0.00 H new ATOM 0 HG SER A 43 -0.706 9.010 2.020 1.00 0.00 H new ATOM 670 N ASN A 44 0.773 6.699 -1.869 1.00 0.00 N ATOM 671 CA ASN A 44 1.525 6.282 -3.051 1.00 0.00 C ATOM 672 C ASN A 44 2.735 7.186 -3.260 1.00 0.00 C ATOM 673 O ASN A 44 3.650 6.852 -4.011 1.00 0.00 O ATOM 674 CB ASN A 44 0.622 6.298 -4.290 1.00 0.00 C ATOM 675 CG ASN A 44 1.263 5.652 -5.508 1.00 0.00 C ATOM 676 OD1 ASN A 44 2.104 4.759 -5.391 1.00 0.00 O ATOM 677 ND2 ASN A 44 0.849 6.085 -6.690 1.00 0.00 N ATOM 0 H ASN A 44 -0.102 7.182 -2.074 1.00 0.00 H new ATOM 0 HA ASN A 44 1.880 5.263 -2.895 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.309 5.780 -4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.362 7.329 -4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.228 5.677 -7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.151 6.827 -6.746 1.00 0.00 H new ATOM 684 N ILE A 45 2.733 8.327 -2.582 1.00 0.00 N ATOM 685 CA ILE A 45 3.838 9.272 -2.658 1.00 0.00 C ATOM 686 C ILE A 45 4.413 9.506 -1.267 1.00 0.00 C ATOM 687 O ILE A 45 3.670 9.801 -0.328 1.00 0.00 O ATOM 688 CB ILE A 45 3.389 10.634 -3.241 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.684 10.438 -4.584 1.00 0.00 C ATOM 690 CG2 ILE A 45 4.587 11.567 -3.396 1.00 0.00 C ATOM 691 CD1 ILE A 45 2.181 11.724 -5.203 1.00 0.00 C ATOM 0 H ILE A 45 1.972 8.621 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 45 4.591 8.841 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 45 2.683 11.090 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.373 9.956 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.843 9.759 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.255 12.520 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.048 11.732 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.315 11.115 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.693 11.504 -6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.467 12.197 -4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.020 12.398 -5.374 1.00 0.00 H new ATOM 703 N ASP A 46 5.725 9.361 -1.126 1.00 0.00 N ATOM 704 CA ASP A 46 6.375 9.654 0.144 1.00 0.00 C ATOM 705 C ASP A 46 6.656 11.156 0.229 1.00 0.00 C ATOM 706 O ASP A 46 6.873 11.811 -0.790 1.00 0.00 O ATOM 707 CB ASP A 46 7.669 8.843 0.318 1.00 0.00 C ATOM 708 CG ASP A 46 8.864 9.479 -0.360 1.00 0.00 C ATOM 709 OD1 ASP A 46 9.518 10.330 0.275 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.148 9.133 -1.527 1.00 0.00 O ATOM 0 H ASP A 46 6.353 9.046 -1.866 1.00 0.00 H new ATOM 0 HA ASP A 46 5.707 9.363 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.880 8.730 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.520 7.841 -0.086 1.00 0.00 H new ATOM 715 N PRO A 47 6.630 11.726 1.439 1.00 0.00 N ATOM 716 CA PRO A 47 6.724 13.170 1.639 1.00 0.00 C ATOM 717 C PRO A 47 8.154 13.711 1.659 1.00 0.00 C ATOM 718 O PRO A 47 8.380 14.881 1.354 1.00 0.00 O ATOM 719 CB PRO A 47 6.061 13.383 3.012 1.00 0.00 C ATOM 720 CG PRO A 47 5.709 12.017 3.534 1.00 0.00 C ATOM 721 CD PRO A 47 6.480 11.024 2.712 1.00 0.00 C ATOM 0 HA PRO A 47 6.251 13.703 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.739 13.896 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.170 14.004 2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.968 11.928 4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.637 11.837 3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.444 10.785 3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.940 10.084 2.597 1.00 0.00 H new ATOM 729 N PHE A 48 9.117 12.871 2.003 1.00 0.00 N ATOM 730 CA PHE A 48 10.470 13.352 2.255 1.00 0.00 C ATOM 731 C PHE A 48 11.339 13.315 0.997 1.00 0.00 C ATOM 732 O PHE A 48 12.047 14.279 0.696 1.00 0.00 O ATOM 733 CB PHE A 48 11.118 12.541 3.378 1.00 0.00 C ATOM 734 CG PHE A 48 10.399 12.658 4.694 1.00 0.00 C ATOM 735 CD1 PHE A 48 10.636 13.731 5.533 1.00 0.00 C ATOM 736 CD2 PHE A 48 9.486 11.693 5.089 1.00 0.00 C ATOM 737 CE1 PHE A 48 9.976 13.843 6.742 1.00 0.00 C ATOM 738 CE2 PHE A 48 8.823 11.799 6.296 1.00 0.00 C ATOM 739 CZ PHE A 48 9.069 12.877 7.124 1.00 0.00 C ATOM 0 H PHE A 48 8.992 11.865 2.114 1.00 0.00 H new ATOM 0 HA PHE A 48 10.395 14.395 2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.153 11.492 3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.149 12.871 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.345 14.491 5.240 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.291 10.848 4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.170 14.687 7.387 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.114 11.040 6.592 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.552 12.963 8.068 1.00 0.00 H new ATOM 749 N PHE A 49 11.278 12.216 0.263 1.00 0.00 N ATOM 750 CA PHE A 49 12.112 12.033 -0.920 1.00 0.00 C ATOM 751 C PHE A 49 11.266 12.157 -2.184 1.00 0.00 C ATOM 752 O PHE A 49 11.794 12.195 -3.300 1.00 0.00 O ATOM 753 CB PHE A 49 12.806 10.668 -0.871 1.00 0.00 C ATOM 754 CG PHE A 49 13.881 10.495 -1.907 1.00 0.00 C ATOM 755 CD1 PHE A 49 15.103 11.132 -1.763 1.00 0.00 C ATOM 756 CD2 PHE A 49 13.670 9.702 -3.024 1.00 0.00 C ATOM 757 CE1 PHE A 49 16.094 10.982 -2.714 1.00 0.00 C ATOM 758 CE2 PHE A 49 14.657 9.551 -3.976 1.00 0.00 C ATOM 759 CZ PHE A 49 15.870 10.192 -3.821 1.00 0.00 C ATOM 0 H PHE A 49 10.657 11.432 0.465 1.00 0.00 H new ATOM 0 HA PHE A 49 12.876 12.810 -0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 49 13.242 10.528 0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.058 9.886 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 49 15.283 11.753 -0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.724 9.197 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 49 17.043 11.483 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 49 14.481 8.931 -4.843 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.643 10.074 -4.566 1.00 0.00 H new ATOM 769 N GLU A 50 9.951 12.232 -1.971 1.00 0.00 N ATOM 770 CA GLU A 50 8.943 12.377 -3.025 1.00 0.00 C ATOM 771 C GLU A 50 9.122 11.384 -4.175 1.00 0.00 C ATOM 772 O GLU A 50 9.676 11.703 -5.230 1.00 0.00 O ATOM 773 CB GLU A 50 8.827 13.828 -3.546 1.00 0.00 C ATOM 774 CG GLU A 50 10.110 14.442 -4.086 1.00 0.00 C ATOM 775 CD GLU A 50 9.887 15.816 -4.673 1.00 0.00 C ATOM 776 OE1 GLU A 50 9.845 16.799 -3.903 1.00 0.00 O ATOM 777 OE2 GLU A 50 9.746 15.921 -5.910 1.00 0.00 O ATOM 0 H GLU A 50 9.546 12.193 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 50 7.996 12.130 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.075 13.852 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.459 14.457 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.844 14.507 -3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.530 13.787 -4.850 1.00 0.00 H new ATOM 784 N SER A 51 8.657 10.168 -3.951 1.00 0.00 N ATOM 785 CA SER A 51 8.548 9.187 -5.011 1.00 0.00 C ATOM 786 C SER A 51 7.088 9.116 -5.442 1.00 0.00 C ATOM 787 O SER A 51 6.226 8.723 -4.659 1.00 0.00 O ATOM 788 CB SER A 51 9.033 7.818 -4.524 1.00 0.00 C ATOM 789 OG SER A 51 10.220 7.944 -3.757 1.00 0.00 O ATOM 0 H SER A 51 8.347 9.837 -3.037 1.00 0.00 H new ATOM 0 HA SER A 51 9.172 9.477 -5.856 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.256 7.345 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.215 7.167 -5.379 1.00 0.00 H new ATOM 0 HG SER A 51 10.006 8.338 -2.885 1.00 0.00 H new ATOM 795 N SER A 52 6.820 9.526 -6.676 1.00 0.00 N ATOM 796 CA SER A 52 5.453 9.693 -7.159 1.00 0.00 C ATOM 797 C SER A 52 4.652 8.397 -7.096 1.00 0.00 C ATOM 798 O SER A 52 3.466 8.404 -6.771 1.00 0.00 O ATOM 799 CB SER A 52 5.475 10.228 -8.588 1.00 0.00 C ATOM 800 OG SER A 52 6.330 11.360 -8.689 1.00 0.00 O ATOM 0 H SER A 52 7.537 9.751 -7.366 1.00 0.00 H new ATOM 0 HA SER A 52 4.957 10.408 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.815 9.447 -9.268 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.465 10.500 -8.895 1.00 0.00 H new ATOM 0 HG SER A 52 6.332 11.687 -9.613 1.00 0.00 H new ATOM 806 N VAL A 53 5.291 7.292 -7.422 1.00 0.00 N ATOM 807 CA VAL A 53 4.625 6.003 -7.353 1.00 0.00 C ATOM 808 C VAL A 53 5.439 4.993 -6.555 1.00 0.00 C ATOM 809 O VAL A 53 6.608 4.738 -6.852 1.00 0.00 O ATOM 810 CB VAL A 53 4.327 5.430 -8.761 1.00 0.00 C ATOM 811 CG1 VAL A 53 3.218 6.223 -9.438 1.00 0.00 C ATOM 812 CG2 VAL A 53 5.579 5.430 -9.629 1.00 0.00 C ATOM 0 H VAL A 53 6.261 7.257 -7.735 1.00 0.00 H new ATOM 0 HA VAL A 53 3.678 6.175 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 53 3.996 4.399 -8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.023 5.805 -10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.311 6.168 -8.835 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.524 7.264 -9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.341 5.023 -10.611 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.946 6.451 -9.739 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.348 4.817 -9.159 1.00 0.00 H new ATOM 822 N LEU A 54 4.816 4.430 -5.533 1.00 0.00 N ATOM 823 CA LEU A 54 5.390 3.314 -4.802 1.00 0.00 C ATOM 824 C LEU A 54 4.898 2.009 -5.409 1.00 0.00 C ATOM 825 O LEU A 54 5.452 0.941 -5.159 1.00 0.00 O ATOM 826 CB LEU A 54 5.027 3.388 -3.318 1.00 0.00 C ATOM 827 CG LEU A 54 5.507 4.650 -2.593 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.142 4.591 -1.120 1.00 0.00 C ATOM 829 CD2 LEU A 54 7.010 4.834 -2.764 1.00 0.00 C ATOM 0 H LEU A 54 3.904 4.731 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 54 6.476 3.361 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.943 3.322 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.445 2.517 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 54 5.006 5.509 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.491 5.496 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.060 4.514 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.613 3.721 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.328 5.736 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.532 3.971 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.247 4.927 -3.824 1.00 0.00 H new ATOM 841 N SER A 55 3.851 2.121 -6.224 1.00 0.00 N ATOM 842 CA SER A 55 3.242 0.967 -6.875 1.00 0.00 C ATOM 843 C SER A 55 4.175 0.360 -7.923 1.00 0.00 C ATOM 844 O SER A 55 3.957 -0.756 -8.387 1.00 0.00 O ATOM 845 CB SER A 55 1.921 1.384 -7.521 1.00 0.00 C ATOM 846 OG SER A 55 1.096 2.057 -6.585 1.00 0.00 O ATOM 0 H SER A 55 3.404 3.010 -6.450 1.00 0.00 H new ATOM 0 HA SER A 55 3.055 0.205 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.117 2.034 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.403 0.504 -7.903 1.00 0.00 H new ATOM 0 HG SER A 55 1.465 2.947 -6.405 1.00 0.00 H new ATOM 852 N ARG A 56 5.223 1.093 -8.285 1.00 0.00 N ATOM 853 CA ARG A 56 6.190 0.605 -9.257 1.00 0.00 C ATOM 854 C ARG A 56 7.334 -0.104 -8.534 1.00 0.00 C ATOM 855 O ARG A 56 8.500 0.038 -8.901 1.00 0.00 O ATOM 856 CB ARG A 56 6.743 1.754 -10.107 1.00 0.00 C ATOM 857 CG ARG A 56 7.234 1.297 -11.475 1.00 0.00 C ATOM 858 CD ARG A 56 8.166 2.305 -12.139 1.00 0.00 C ATOM 859 NE ARG A 56 7.616 3.661 -12.180 1.00 0.00 N ATOM 860 CZ ARG A 56 6.878 4.146 -13.182 1.00 0.00 C ATOM 861 NH1 ARG A 56 6.520 3.371 -14.200 1.00 0.00 N ATOM 862 NH2 ARG A 56 6.497 5.416 -13.164 1.00 0.00 N ATOM 0 H ARG A 56 5.423 2.024 -7.920 1.00 0.00 H new ATOM 0 HA ARG A 56 5.686 -0.098 -9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.967 2.508 -10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.564 2.232 -9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.753 0.345 -11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.376 1.122 -12.123 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.115 2.321 -11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.381 1.976 -13.156 1.00 0.00 H new ATOM 0 HE ARG A 56 7.809 4.277 -11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.809 2.393 -14.223 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.956 3.754 -14.959 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.768 6.019 -12.387 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.933 5.790 -13.927 1.00 0.00 H new ATOM 876 N GLY A 57 6.992 -0.876 -7.512 1.00 0.00 N ATOM 877 CA GLY A 57 7.998 -1.536 -6.712 1.00 0.00 C ATOM 878 C GLY A 57 7.647 -2.982 -6.445 1.00 0.00 C ATOM 879 O GLY A 57 6.505 -3.396 -6.644 1.00 0.00 O ATOM 0 H GLY A 57 6.030 -1.056 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.960 -1.484 -7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.112 -1.009 -5.765 1.00 0.00 H new ATOM 883 N LEU A 58 8.630 -3.751 -6.002 1.00 0.00 N ATOM 884 CA LEU A 58 8.442 -5.179 -5.793 1.00 0.00 C ATOM 885 C LEU A 58 8.079 -5.470 -4.343 1.00 0.00 C ATOM 886 O LEU A 58 8.585 -4.824 -3.424 1.00 0.00 O ATOM 887 CB LEU A 58 9.704 -5.971 -6.176 1.00 0.00 C ATOM 888 CG LEU A 58 10.045 -6.025 -7.675 1.00 0.00 C ATOM 889 CD1 LEU A 58 8.823 -6.422 -8.493 1.00 0.00 C ATOM 890 CD2 LEU A 58 10.617 -4.699 -8.158 1.00 0.00 C ATOM 0 H LEU A 58 9.566 -3.411 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 58 7.622 -5.496 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.553 -5.538 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.590 -6.993 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 58 10.811 -6.787 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.087 -6.454 -9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.477 -7.406 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.029 -5.691 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.848 -4.768 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.886 -3.907 -7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.527 -4.471 -7.603 1.00 0.00 H new ATOM 902 N ILE A 59 7.206 -6.445 -4.151 1.00 0.00 N ATOM 903 CA ILE A 59 6.771 -6.839 -2.822 1.00 0.00 C ATOM 904 C ILE A 59 7.475 -8.125 -2.408 1.00 0.00 C ATOM 905 O ILE A 59 7.491 -9.099 -3.165 1.00 0.00 O ATOM 906 CB ILE A 59 5.245 -7.064 -2.772 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.501 -5.822 -3.276 1.00 0.00 C ATOM 908 CG2 ILE A 59 4.808 -7.408 -1.354 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.003 -6.020 -3.389 1.00 0.00 C ATOM 0 H ILE A 59 6.781 -6.982 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 59 7.026 -6.031 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 59 4.997 -7.901 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.700 -4.990 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.897 -5.542 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.729 -7.564 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.313 -8.318 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.069 -6.589 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.541 -5.102 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.795 -6.831 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.594 -6.270 -2.410 1.00 0.00 H new ATOM 921 N ALA A 60 8.063 -8.132 -1.221 1.00 0.00 N ATOM 922 CA ALA A 60 8.774 -9.303 -0.738 1.00 0.00 C ATOM 923 C ALA A 60 8.626 -9.466 0.770 1.00 0.00 C ATOM 924 O ALA A 60 8.597 -8.486 1.515 1.00 0.00 O ATOM 925 CB ALA A 60 10.245 -9.216 -1.117 1.00 0.00 C ATOM 0 H ALA A 60 8.061 -7.341 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 60 8.333 -10.180 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.768 -10.099 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.339 -9.163 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.683 -8.323 -0.671 1.00 0.00 H new ATOM 931 N GLU A 61 8.521 -10.710 1.210 1.00 0.00 N ATOM 932 CA GLU A 61 8.470 -11.017 2.629 1.00 0.00 C ATOM 933 C GLU A 61 9.897 -11.230 3.127 1.00 0.00 C ATOM 934 O GLU A 61 10.520 -12.250 2.835 1.00 0.00 O ATOM 935 CB GLU A 61 7.609 -12.266 2.865 1.00 0.00 C ATOM 936 CG GLU A 61 7.046 -12.388 4.274 1.00 0.00 C ATOM 937 CD GLU A 61 8.095 -12.678 5.324 1.00 0.00 C ATOM 938 OE1 GLU A 61 8.655 -11.726 5.889 1.00 0.00 O ATOM 939 OE2 GLU A 61 8.348 -13.869 5.603 1.00 0.00 O ATOM 0 H GLU A 61 8.469 -11.526 0.601 1.00 0.00 H new ATOM 0 HA GLU A 61 8.016 -10.194 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.781 -12.260 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.208 -13.151 2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.532 -11.462 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.299 -13.182 4.290 1.00 0.00 H new ATOM 946 N HIS A 62 10.414 -10.248 3.850 1.00 0.00 N ATOM 947 CA HIS A 62 11.812 -10.258 4.262 1.00 0.00 C ATOM 948 C HIS A 62 12.028 -11.176 5.460 1.00 0.00 C ATOM 949 O HIS A 62 12.854 -12.088 5.413 1.00 0.00 O ATOM 950 CB HIS A 62 12.277 -8.833 4.590 1.00 0.00 C ATOM 951 CG HIS A 62 13.729 -8.730 4.958 1.00 0.00 C ATOM 952 ND1 HIS A 62 14.729 -8.519 4.033 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.347 -8.803 6.162 1.00 0.00 C ATOM 954 CE1 HIS A 62 15.895 -8.468 4.649 1.00 0.00 C ATOM 955 NE2 HIS A 62 15.689 -8.637 5.941 1.00 0.00 N ATOM 0 H HIS A 62 9.887 -9.433 4.164 1.00 0.00 H new ATOM 0 HA HIS A 62 12.407 -10.643 3.434 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.085 -8.193 3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.676 -8.447 5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.870 -8.962 7.118 1.00 0.00 H new ATOM 0 HE1 HIS A 62 16.854 -8.314 4.176 1.00 0.00 H new ATOM 0 HE2 HIS A 62 16.413 -8.643 6.660 1.00 0.00 H new ATOM 964 N GLN A 63 11.283 -10.930 6.525 1.00 0.00 N ATOM 965 CA GLN A 63 11.446 -11.676 7.763 1.00 0.00 C ATOM 966 C GLN A 63 10.290 -11.380 8.712 1.00 0.00 C ATOM 967 O GLN A 63 10.362 -10.466 9.539 1.00 0.00 O ATOM 968 CB GLN A 63 12.790 -11.328 8.413 1.00 0.00 C ATOM 969 CG GLN A 63 13.088 -12.096 9.689 1.00 0.00 C ATOM 970 CD GLN A 63 14.474 -11.801 10.223 1.00 0.00 C ATOM 971 OE1 GLN A 63 15.405 -11.538 9.457 1.00 0.00 O ATOM 972 NE2 GLN A 63 14.621 -11.824 11.538 1.00 0.00 N ATOM 0 H GLN A 63 10.556 -10.216 6.557 1.00 0.00 H new ATOM 0 HA GLN A 63 11.439 -12.743 7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.587 -11.518 7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.808 -10.261 8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.347 -11.841 10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.994 -13.165 9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.825 -12.046 12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.530 -11.619 11.953 1.00 0.00 H new ATOM 981 N GLY A 64 9.201 -12.115 8.532 1.00 0.00 N ATOM 982 CA GLY A 64 8.039 -11.970 9.387 1.00 0.00 C ATOM 983 C GLY A 64 7.175 -10.783 9.004 1.00 0.00 C ATOM 984 O GLY A 64 6.075 -10.614 9.531 1.00 0.00 O ATOM 0 H GLY A 64 9.102 -12.818 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.441 -12.880 9.338 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.365 -11.858 10.421 1.00 0.00 H new ATOM 988 N GLU A 65 7.656 -9.979 8.065 1.00 0.00 N ATOM 989 CA GLU A 65 6.982 -8.742 7.692 1.00 0.00 C ATOM 990 C GLU A 65 7.027 -8.538 6.183 1.00 0.00 C ATOM 991 O GLU A 65 8.016 -8.877 5.525 1.00 0.00 O ATOM 992 CB GLU A 65 7.628 -7.538 8.386 1.00 0.00 C ATOM 993 CG GLU A 65 7.504 -7.544 9.904 1.00 0.00 C ATOM 994 CD GLU A 65 6.066 -7.510 10.382 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.264 -6.736 9.819 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.735 -8.240 11.340 1.00 0.00 O ATOM 0 H GLU A 65 8.514 -10.162 7.545 1.00 0.00 H new ATOM 0 HA GLU A 65 5.943 -8.822 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.685 -7.505 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.174 -6.625 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.991 -8.435 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.036 -6.684 10.310 1.00 0.00 H new ATOM 1003 N LEU A 66 5.957 -7.972 5.647 1.00 0.00 N ATOM 1004 CA LEU A 66 5.851 -7.722 4.217 1.00 0.00 C ATOM 1005 C LEU A 66 6.443 -6.364 3.863 1.00 0.00 C ATOM 1006 O LEU A 66 5.991 -5.332 4.362 1.00 0.00 O ATOM 1007 CB LEU A 66 4.385 -7.779 3.787 1.00 0.00 C ATOM 1008 CG LEU A 66 3.685 -9.111 4.051 1.00 0.00 C ATOM 1009 CD1 LEU A 66 2.195 -8.980 3.806 1.00 0.00 C ATOM 1010 CD2 LEU A 66 4.269 -10.207 3.172 1.00 0.00 C ATOM 0 H LEU A 66 5.143 -7.675 6.185 1.00 0.00 H new ATOM 0 HA LEU A 66 6.412 -8.492 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.839 -6.990 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.326 -7.560 2.721 1.00 0.00 H new ATOM 0 HG LEU A 66 3.846 -9.383 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.709 -9.937 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.782 -8.223 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.021 -8.686 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.757 -11.148 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.137 -9.941 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.332 -10.318 3.387 1.00 0.00 H new ATOM 1022 N TRP A 67 7.452 -6.365 3.007 1.00 0.00 N ATOM 1023 CA TRP A 67 8.106 -5.132 2.597 1.00 0.00 C ATOM 1024 C TRP A 67 7.937 -4.902 1.100 1.00 0.00 C ATOM 1025 O TRP A 67 8.069 -5.829 0.302 1.00 0.00 O ATOM 1026 CB TRP A 67 9.603 -5.172 2.930 1.00 0.00 C ATOM 1027 CG TRP A 67 9.912 -5.229 4.397 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.964 -6.343 5.181 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.230 -4.122 5.251 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.296 -6.001 6.470 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.462 -4.642 6.539 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.343 -2.744 5.051 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.799 -3.830 7.620 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.676 -1.939 6.126 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.903 -2.485 7.395 1.00 0.00 C ATOM 0 H TRP A 67 7.837 -7.208 2.581 1.00 0.00 H new ATOM 0 HA TRP A 67 7.636 -4.314 3.144 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.047 -6.040 2.444 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.081 -4.289 2.505 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.772 -7.349 4.839 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.402 -6.652 7.248 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.173 -2.315 4.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.972 -4.248 8.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.762 -0.872 5.984 1.00 0.00 H new ATOM 0 HH2 TRP A 67 11.166 -1.831 8.213 1.00 0.00 H new ATOM 1046 N VAL A 68 7.624 -3.673 0.727 1.00 0.00 N ATOM 1047 CA VAL A 68 7.624 -3.279 -0.672 1.00 0.00 C ATOM 1048 C VAL A 68 8.798 -2.334 -0.919 1.00 0.00 C ATOM 1049 O VAL A 68 9.111 -1.495 -0.072 1.00 0.00 O ATOM 1050 CB VAL A 68 6.290 -2.612 -1.092 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.061 -1.305 -0.348 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.246 -2.384 -2.596 1.00 0.00 C ATOM 0 H VAL A 68 7.366 -2.929 1.375 1.00 0.00 H new ATOM 0 HA VAL A 68 7.730 -4.176 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 68 5.485 -3.295 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.116 -0.865 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.027 -1.498 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.875 -0.614 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.300 -1.915 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.070 -1.734 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.337 -3.340 -3.112 1.00 0.00 H new ATOM 1062 N ALA A 69 9.473 -2.495 -2.046 1.00 0.00 N ATOM 1063 CA ALA A 69 10.649 -1.692 -2.336 1.00 0.00 C ATOM 1064 C ALA A 69 10.600 -1.109 -3.739 1.00 0.00 C ATOM 1065 O ALA A 69 10.587 -1.845 -4.731 1.00 0.00 O ATOM 1066 CB ALA A 69 11.910 -2.523 -2.151 1.00 0.00 C ATOM 0 H ALA A 69 9.228 -3.170 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 69 10.664 -0.858 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.785 -1.911 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.965 -2.877 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.885 -3.377 -2.828 1.00 0.00 H new ATOM 1072 N SER A 70 10.554 0.212 -3.814 1.00 0.00 N ATOM 1073 CA SER A 70 10.629 0.917 -5.083 1.00 0.00 C ATOM 1074 C SER A 70 12.079 0.957 -5.559 1.00 0.00 C ATOM 1075 O SER A 70 12.943 1.512 -4.877 1.00 0.00 O ATOM 1076 CB SER A 70 10.083 2.338 -4.925 1.00 0.00 C ATOM 1077 OG SER A 70 8.810 2.322 -4.306 1.00 0.00 O ATOM 0 H SER A 70 10.464 0.822 -3.002 1.00 0.00 H new ATOM 0 HA SER A 70 10.025 0.393 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.774 2.934 -4.329 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.011 2.815 -5.902 1.00 0.00 H new ATOM 0 HG SER A 70 8.906 2.538 -3.355 1.00 0.00 H new ATOM 1083 N PRO A 71 12.362 0.382 -6.742 1.00 0.00 N ATOM 1084 CA PRO A 71 13.732 0.205 -7.256 1.00 0.00 C ATOM 1085 C PRO A 71 14.466 1.518 -7.537 1.00 0.00 C ATOM 1086 O PRO A 71 15.665 1.505 -7.814 1.00 0.00 O ATOM 1087 CB PRO A 71 13.534 -0.578 -8.561 1.00 0.00 C ATOM 1088 CG PRO A 71 12.161 -1.146 -8.473 1.00 0.00 C ATOM 1089 CD PRO A 71 11.365 -0.155 -7.678 1.00 0.00 C ATOM 0 HA PRO A 71 14.356 -0.299 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.636 0.073 -9.430 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.280 -1.366 -8.664 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.731 -1.289 -9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.171 -2.121 -7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.942 0.625 -8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.533 -0.629 -7.156 1.00 0.00 H new ATOM 1097 N LEU A 72 13.748 2.639 -7.465 1.00 0.00 N ATOM 1098 CA LEU A 72 14.337 3.960 -7.692 1.00 0.00 C ATOM 1099 C LEU A 72 15.570 4.157 -6.808 1.00 0.00 C ATOM 1100 O LEU A 72 16.703 4.171 -7.290 1.00 0.00 O ATOM 1101 CB LEU A 72 13.317 5.077 -7.408 1.00 0.00 C ATOM 1102 CG LEU A 72 12.100 5.154 -8.348 1.00 0.00 C ATOM 1103 CD1 LEU A 72 12.535 5.142 -9.804 1.00 0.00 C ATOM 1104 CD2 LEU A 72 11.110 4.030 -8.071 1.00 0.00 C ATOM 0 H LEU A 72 12.751 2.659 -7.250 1.00 0.00 H new ATOM 0 HA LEU A 72 14.633 4.015 -8.740 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.953 4.954 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.839 6.033 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 72 11.593 6.099 -8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.656 5.197 -10.447 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.181 5.998 -9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 72 13.080 4.222 -10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.263 4.115 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.601 3.068 -8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.757 4.102 -7.042 1.00 0.00 H new ATOM 1116 N LYS A 73 15.337 4.302 -5.512 1.00 0.00 N ATOM 1117 CA LYS A 73 16.421 4.398 -4.540 1.00 0.00 C ATOM 1118 C LYS A 73 16.332 3.251 -3.546 1.00 0.00 C ATOM 1119 O LYS A 73 17.052 3.219 -2.549 1.00 0.00 O ATOM 1120 CB LYS A 73 16.361 5.737 -3.803 1.00 0.00 C ATOM 1121 CG LYS A 73 16.737 6.926 -4.668 1.00 0.00 C ATOM 1122 CD LYS A 73 18.224 6.947 -4.972 1.00 0.00 C ATOM 1123 CE LYS A 73 18.592 8.112 -5.876 1.00 0.00 C ATOM 1124 NZ LYS A 73 20.062 8.249 -6.035 1.00 0.00 N ATOM 0 H LYS A 73 14.403 4.356 -5.106 1.00 0.00 H new ATOM 0 HA LYS A 73 17.371 4.336 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.352 5.884 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.029 5.699 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.175 6.890 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.455 7.849 -4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.786 7.017 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.512 6.010 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.133 7.971 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.184 9.035 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.270 9.055 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 20.498 8.409 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.449 7.379 -6.453 1.00 0.00 H new ATOM 1138 N LYS A 74 15.451 2.308 -3.853 1.00 0.00 N ATOM 1139 CA LYS A 74 15.166 1.175 -2.984 1.00 0.00 C ATOM 1140 C LYS A 74 14.654 1.655 -1.628 1.00 0.00 C ATOM 1141 O LYS A 74 15.320 1.521 -0.602 1.00 0.00 O ATOM 1142 CB LYS A 74 16.387 0.257 -2.832 1.00 0.00 C ATOM 1143 CG LYS A 74 16.098 -1.011 -2.039 1.00 0.00 C ATOM 1144 CD LYS A 74 17.283 -1.970 -2.025 1.00 0.00 C ATOM 1145 CE LYS A 74 17.379 -2.792 -3.310 1.00 0.00 C ATOM 1146 NZ LYS A 74 17.775 -1.976 -4.491 1.00 0.00 N ATOM 0 H LYS A 74 14.911 2.308 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 74 14.380 0.582 -3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 74 16.751 -0.018 -3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.188 0.809 -2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 74 15.838 -0.744 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.231 -1.515 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.204 -1.404 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.193 -2.643 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.104 -3.594 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.416 -3.263 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.401 -2.535 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.925 -1.700 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.276 -1.123 -4.171 1.00 0.00 H new ATOM 1160 N GLN A 75 13.475 2.253 -1.646 1.00 0.00 N ATOM 1161 CA GLN A 75 12.816 2.667 -0.420 1.00 0.00 C ATOM 1162 C GLN A 75 11.956 1.520 0.089 1.00 0.00 C ATOM 1163 O GLN A 75 11.078 1.036 -0.623 1.00 0.00 O ATOM 1164 CB GLN A 75 11.955 3.912 -0.656 1.00 0.00 C ATOM 1165 CG GLN A 75 12.723 5.094 -1.237 1.00 0.00 C ATOM 1166 CD GLN A 75 13.851 5.584 -0.344 1.00 0.00 C ATOM 1167 OE1 GLN A 75 14.876 6.058 -0.828 1.00 0.00 O ATOM 1168 NE2 GLN A 75 13.661 5.504 0.965 1.00 0.00 N ATOM 0 H GLN A 75 12.954 2.463 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 75 13.571 2.921 0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.139 3.655 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.504 4.214 0.289 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.135 4.809 -2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.029 5.915 -1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.797 5.104 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.379 5.842 1.606 1.00 0.00 H new ATOM 1177 N ARG A 76 12.224 1.075 1.306 1.00 0.00 N ATOM 1178 CA ARG A 76 11.545 -0.091 1.850 1.00 0.00 C ATOM 1179 C ARG A 76 10.358 0.341 2.702 1.00 0.00 C ATOM 1180 O ARG A 76 10.519 1.102 3.656 1.00 0.00 O ATOM 1181 CB ARG A 76 12.497 -0.947 2.706 1.00 0.00 C ATOM 1182 CG ARG A 76 13.877 -1.198 2.100 1.00 0.00 C ATOM 1183 CD ARG A 76 14.822 -0.032 2.357 1.00 0.00 C ATOM 1184 NE ARG A 76 16.200 -0.330 1.974 1.00 0.00 N ATOM 1185 CZ ARG A 76 17.188 0.569 2.004 1.00 0.00 C ATOM 1186 NH1 ARG A 76 16.945 1.816 2.389 1.00 0.00 N ATOM 1187 NH2 ARG A 76 18.418 0.217 1.664 1.00 0.00 N ATOM 0 H ARG A 76 12.905 1.502 1.935 1.00 0.00 H new ATOM 0 HA ARG A 76 11.198 -0.691 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.627 -0.460 3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.022 -1.909 2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.300 -2.110 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.780 -1.359 1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.476 0.840 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.791 0.229 3.415 1.00 0.00 H new ATOM 0 HE ARG A 76 16.420 -1.277 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.002 2.090 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.702 2.500 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.613 -0.742 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.170 0.905 1.688 1.00 0.00 H new ATOM 1201 N PHE A 77 9.172 -0.129 2.349 1.00 0.00 N ATOM 1202 CA PHE A 77 7.970 0.171 3.115 1.00 0.00 C ATOM 1203 C PHE A 77 7.339 -1.108 3.649 1.00 0.00 C ATOM 1204 O PHE A 77 6.985 -2.002 2.881 1.00 0.00 O ATOM 1205 CB PHE A 77 6.951 0.924 2.256 1.00 0.00 C ATOM 1206 CG PHE A 77 7.386 2.306 1.852 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.185 2.499 0.736 1.00 0.00 C ATOM 1208 CD2 PHE A 77 6.989 3.413 2.587 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.582 3.769 0.363 1.00 0.00 C ATOM 1210 CE2 PHE A 77 7.384 4.684 2.217 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.181 4.862 1.104 1.00 0.00 C ATOM 0 H PHE A 77 9.015 -0.722 1.534 1.00 0.00 H new ATOM 0 HA PHE A 77 8.260 0.803 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.749 0.341 1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.013 0.997 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.501 1.647 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.364 3.280 3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.206 3.906 -0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.069 5.538 2.798 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.490 5.855 0.814 1.00 0.00 H new ATOM 1221 N ARG A 78 7.218 -1.194 4.966 1.00 0.00 N ATOM 1222 CA ARG A 78 6.557 -2.325 5.599 1.00 0.00 C ATOM 1223 C ARG A 78 5.046 -2.188 5.434 1.00 0.00 C ATOM 1224 O ARG A 78 4.421 -1.343 6.078 1.00 0.00 O ATOM 1225 CB ARG A 78 6.930 -2.403 7.087 1.00 0.00 C ATOM 1226 CG ARG A 78 6.424 -3.656 7.786 1.00 0.00 C ATOM 1227 CD ARG A 78 6.882 -3.722 9.239 1.00 0.00 C ATOM 1228 NE ARG A 78 6.290 -2.667 10.071 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.522 -2.536 11.382 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.359 -3.362 11.995 1.00 0.00 N ATOM 1231 NH2 ARG A 78 5.933 -1.568 12.077 1.00 0.00 N ATOM 0 H ARG A 78 7.570 -0.492 5.618 1.00 0.00 H new ATOM 0 HA ARG A 78 6.887 -3.246 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.015 -2.359 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.530 -1.527 7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.335 -3.678 7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.780 -4.538 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.620 -4.695 9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.968 -3.641 9.277 1.00 0.00 H new ATOM 0 HE ARG A 78 5.666 -1.995 9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.827 -4.099 11.467 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.535 -3.261 12.995 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.299 -0.919 11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.115 -1.474 13.076 1.00 0.00 H new ATOM 1245 N LEU A 79 4.475 -3.024 4.570 1.00 0.00 N ATOM 1246 CA LEU A 79 3.058 -2.946 4.206 1.00 0.00 C ATOM 1247 C LEU A 79 2.154 -3.061 5.423 1.00 0.00 C ATOM 1248 O LEU A 79 1.073 -2.469 5.458 1.00 0.00 O ATOM 1249 CB LEU A 79 2.707 -4.056 3.212 1.00 0.00 C ATOM 1250 CG LEU A 79 3.455 -3.998 1.882 1.00 0.00 C ATOM 1251 CD1 LEU A 79 3.080 -5.188 1.012 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.151 -2.696 1.164 1.00 0.00 C ATOM 0 H LEU A 79 4.980 -3.776 4.101 1.00 0.00 H new ATOM 0 HA LEU A 79 2.894 -1.970 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.907 -5.019 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.637 -4.016 3.011 1.00 0.00 H new ATOM 0 HG LEU A 79 4.526 -4.041 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.621 -5.133 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.342 -6.112 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.008 -5.173 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.691 -2.668 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.080 -2.627 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.464 -1.856 1.785 1.00 0.00 H new ATOM 1264 N SER A 80 2.622 -3.813 6.412 1.00 0.00 N ATOM 1265 CA SER A 80 1.869 -4.094 7.627 1.00 0.00 C ATOM 1266 C SER A 80 1.211 -2.834 8.196 1.00 0.00 C ATOM 1267 O SER A 80 0.007 -2.817 8.461 1.00 0.00 O ATOM 1268 CB SER A 80 2.822 -4.697 8.656 1.00 0.00 C ATOM 1269 OG SER A 80 3.774 -5.537 8.020 1.00 0.00 O ATOM 0 H SER A 80 3.544 -4.249 6.392 1.00 0.00 H new ATOM 0 HA SER A 80 1.068 -4.793 7.389 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.334 -3.901 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.257 -5.269 9.392 1.00 0.00 H new ATOM 0 HG SER A 80 4.511 -5.723 8.639 1.00 0.00 H new ATOM 1275 N ASP A 81 1.991 -1.768 8.351 1.00 0.00 N ATOM 1276 CA ASP A 81 1.476 -0.551 8.967 1.00 0.00 C ATOM 1277 C ASP A 81 2.078 0.701 8.321 1.00 0.00 C ATOM 1278 O ASP A 81 2.056 1.788 8.894 1.00 0.00 O ATOM 1279 CB ASP A 81 1.755 -0.577 10.472 1.00 0.00 C ATOM 1280 CG ASP A 81 0.998 0.495 11.231 1.00 0.00 C ATOM 1281 OD1 ASP A 81 -0.239 0.566 11.094 1.00 0.00 O ATOM 1282 OD2 ASP A 81 1.642 1.268 11.970 1.00 0.00 O ATOM 0 H ASP A 81 2.968 -1.722 8.063 1.00 0.00 H new ATOM 0 HA ASP A 81 0.399 -0.511 8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.485 -1.555 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.824 -0.448 10.640 1.00 0.00 H new ATOM 1287 N GLY A 82 2.595 0.545 7.106 1.00 0.00 N ATOM 1288 CA GLY A 82 3.134 1.679 6.373 1.00 0.00 C ATOM 1289 C GLY A 82 4.408 2.219 6.989 1.00 0.00 C ATOM 1290 O GLY A 82 4.606 3.431 7.074 1.00 0.00 O ATOM 0 H GLY A 82 2.651 -0.347 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.331 1.381 5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.387 2.472 6.338 1.00 0.00 H new ATOM 1294 N LEU A 83 5.278 1.317 7.411 1.00 0.00 N ATOM 1295 CA LEU A 83 6.522 1.713 8.047 1.00 0.00 C ATOM 1296 C LEU A 83 7.644 1.783 7.023 1.00 0.00 C ATOM 1297 O LEU A 83 8.138 0.754 6.569 1.00 0.00 O ATOM 1298 CB LEU A 83 6.914 0.723 9.143 1.00 0.00 C ATOM 1299 CG LEU A 83 8.196 1.076 9.898 1.00 0.00 C ATOM 1300 CD1 LEU A 83 7.898 2.027 11.042 1.00 0.00 C ATOM 1301 CD2 LEU A 83 8.889 -0.175 10.402 1.00 0.00 C ATOM 0 H LEU A 83 5.146 0.309 7.325 1.00 0.00 H new ATOM 0 HA LEU A 83 6.367 2.697 8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.095 0.652 9.859 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.032 -0.264 8.696 1.00 0.00 H new ATOM 0 HG LEU A 83 8.872 1.578 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.823 2.266 11.567 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.457 2.943 10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.200 1.556 11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.798 0.103 10.936 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.223 -0.714 11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.145 -0.815 9.557 1.00 0.00 H new ATOM 1313 N CYS A 84 8.027 2.989 6.642 1.00 0.00 N ATOM 1314 CA CYS A 84 9.195 3.160 5.800 1.00 0.00 C ATOM 1315 C CYS A 84 10.437 2.842 6.615 1.00 0.00 C ATOM 1316 O CYS A 84 10.563 3.287 7.747 1.00 0.00 O ATOM 1317 CB CYS A 84 9.278 4.584 5.254 1.00 0.00 C ATOM 1318 SG CYS A 84 10.683 4.858 4.148 1.00 0.00 S ATOM 0 H CYS A 84 7.552 3.854 6.899 1.00 0.00 H new ATOM 0 HA CYS A 84 9.121 2.482 4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.356 4.813 4.719 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.343 5.281 6.090 1.00 0.00 H new ATOM 0 HG CYS A 84 10.643 6.074 3.689 1.00 0.00 H new ATOM 1324 N MET A 85 11.334 2.054 6.051 1.00 0.00 N ATOM 1325 CA MET A 85 12.546 1.655 6.754 1.00 0.00 C ATOM 1326 C MET A 85 13.441 2.862 7.025 1.00 0.00 C ATOM 1327 O MET A 85 14.084 2.951 8.071 1.00 0.00 O ATOM 1328 CB MET A 85 13.299 0.604 5.939 1.00 0.00 C ATOM 1329 CG MET A 85 14.447 -0.052 6.689 1.00 0.00 C ATOM 1330 SD MET A 85 15.226 -1.372 5.736 1.00 0.00 S ATOM 1331 CE MET A 85 16.427 -1.965 6.923 1.00 0.00 C ATOM 0 H MET A 85 11.249 1.676 5.108 1.00 0.00 H new ATOM 0 HA MET A 85 12.263 1.224 7.714 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.597 -0.167 5.623 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.689 1.071 5.034 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.194 0.702 6.937 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.078 -0.457 7.631 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.995 -2.787 6.487 1.00 0.00 H new ATOM 0 HE2 MET A 85 17.107 -1.155 7.189 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.912 -2.315 7.818 1.00 0.00 H new ATOM 1341 N GLU A 86 13.446 3.804 6.093 1.00 0.00 N ATOM 1342 CA GLU A 86 14.309 4.970 6.193 1.00 0.00 C ATOM 1343 C GLU A 86 13.610 6.091 6.957 1.00 0.00 C ATOM 1344 O GLU A 86 14.153 6.643 7.915 1.00 0.00 O ATOM 1345 CB GLU A 86 14.692 5.439 4.790 1.00 0.00 C ATOM 1346 CG GLU A 86 15.745 6.532 4.770 1.00 0.00 C ATOM 1347 CD GLU A 86 16.128 6.931 3.363 1.00 0.00 C ATOM 1348 OE1 GLU A 86 16.262 6.038 2.503 1.00 0.00 O ATOM 1349 OE2 GLU A 86 16.296 8.141 3.109 1.00 0.00 O ATOM 0 H GLU A 86 12.861 3.783 5.258 1.00 0.00 H new ATOM 0 HA GLU A 86 15.212 4.700 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.059 4.585 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.798 5.801 4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.370 7.405 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.632 6.189 5.303 1.00 0.00 H new ATOM 1356 N ASP A 87 12.383 6.383 6.548 1.00 0.00 N ATOM 1357 CA ASP A 87 11.593 7.469 7.129 1.00 0.00 C ATOM 1358 C ASP A 87 10.889 6.993 8.396 1.00 0.00 C ATOM 1359 O ASP A 87 10.000 7.667 8.925 1.00 0.00 O ATOM 1360 CB ASP A 87 10.581 8.001 6.110 1.00 0.00 C ATOM 1361 CG ASP A 87 11.238 8.398 4.798 1.00 0.00 C ATOM 1362 OD1 ASP A 87 11.962 9.417 4.767 1.00 0.00 O ATOM 1363 OD2 ASP A 87 11.036 7.683 3.796 1.00 0.00 O ATOM 0 H ASP A 87 11.904 5.876 5.804 1.00 0.00 H new ATOM 0 HA ASP A 87 12.265 8.285 7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.826 7.239 5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.064 8.864 6.531 1.00 0.00 H new ATOM 1368 N GLU A 88 11.293 5.801 8.835 1.00 0.00 N ATOM 1369 CA GLU A 88 10.769 5.108 10.020 1.00 0.00 C ATOM 1370 C GLU A 88 10.417 6.046 11.175 1.00 0.00 C ATOM 1371 O GLU A 88 9.451 5.795 11.901 1.00 0.00 O ATOM 1372 CB GLU A 88 11.819 4.095 10.487 1.00 0.00 C ATOM 1373 CG GLU A 88 11.427 3.298 11.717 1.00 0.00 C ATOM 1374 CD GLU A 88 12.552 2.411 12.199 1.00 0.00 C ATOM 1375 OE1 GLU A 88 13.522 2.941 12.776 1.00 0.00 O ATOM 1376 OE2 GLU A 88 12.484 1.183 11.991 1.00 0.00 O ATOM 0 H GLU A 88 12.022 5.269 8.360 1.00 0.00 H new ATOM 0 HA GLU A 88 9.838 4.622 9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.023 3.402 9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.748 4.625 10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.137 3.982 12.515 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.555 2.686 11.489 1.00 0.00 H new ATOM 1383 N GLN A 89 11.199 7.113 11.335 1.00 0.00 N ATOM 1384 CA GLN A 89 11.009 8.073 12.420 1.00 0.00 C ATOM 1385 C GLN A 89 9.542 8.470 12.578 1.00 0.00 C ATOM 1386 O GLN A 89 9.039 8.549 13.695 1.00 0.00 O ATOM 1387 CB GLN A 89 11.855 9.327 12.172 1.00 0.00 C ATOM 1388 CG GLN A 89 11.895 10.285 13.356 1.00 0.00 C ATOM 1389 CD GLN A 89 12.802 9.813 14.483 1.00 0.00 C ATOM 1390 OE1 GLN A 89 12.975 8.507 14.620 1.00 0.00 O flip ATOM 1391 NE2 GLN A 89 13.354 10.625 15.225 1.00 0.00 N flip ATOM 0 H GLN A 89 11.980 7.335 10.718 1.00 0.00 H new ATOM 0 HA GLN A 89 11.329 7.588 13.342 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.873 9.025 11.927 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.461 9.854 11.303 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.233 11.262 13.012 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.884 10.415 13.743 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.199 11.624 15.092 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.966 10.299 15.973 1.00 0.00 H new ATOM 1400 N PHE A 90 8.858 8.708 11.465 1.00 0.00 N ATOM 1401 CA PHE A 90 7.455 9.096 11.519 1.00 0.00 C ATOM 1402 C PHE A 90 6.605 8.219 10.598 1.00 0.00 C ATOM 1403 O PHE A 90 5.402 8.077 10.813 1.00 0.00 O ATOM 1404 CB PHE A 90 7.291 10.575 11.150 1.00 0.00 C ATOM 1405 CG PHE A 90 5.941 11.133 11.501 1.00 0.00 C ATOM 1406 CD1 PHE A 90 5.627 11.433 12.818 1.00 0.00 C ATOM 1407 CD2 PHE A 90 4.986 11.356 10.522 1.00 0.00 C ATOM 1408 CE1 PHE A 90 4.388 11.942 13.151 1.00 0.00 C ATOM 1409 CE2 PHE A 90 3.745 11.866 10.850 1.00 0.00 C ATOM 1410 CZ PHE A 90 3.445 12.159 12.166 1.00 0.00 C ATOM 0 H PHE A 90 9.247 8.640 10.525 1.00 0.00 H new ATOM 0 HA PHE A 90 7.106 8.951 12.541 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.059 11.156 11.660 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.458 10.695 10.080 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.361 11.266 13.593 1.00 0.00 H new ATOM 0 HD2 PHE A 90 5.215 11.129 9.491 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.156 12.170 14.181 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.009 12.036 10.078 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.475 12.557 12.424 1.00 0.00 H new ATOM 1420 N SER A 91 7.245 7.629 9.582 1.00 0.00 N ATOM 1421 CA SER A 91 6.567 6.751 8.624 1.00 0.00 C ATOM 1422 C SER A 91 5.581 7.534 7.749 1.00 0.00 C ATOM 1423 O SER A 91 5.596 8.765 7.729 1.00 0.00 O ATOM 1424 CB SER A 91 5.847 5.614 9.360 1.00 0.00 C ATOM 1425 OG SER A 91 6.736 4.941 10.237 1.00 0.00 O ATOM 0 H SER A 91 8.242 7.746 9.402 1.00 0.00 H new ATOM 0 HA SER A 91 7.324 6.322 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.006 6.015 9.925 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.438 4.908 8.637 1.00 0.00 H new ATOM 0 HG SER A 91 6.225 4.507 10.952 1.00 0.00 H new ATOM 1431 N VAL A 92 4.746 6.812 7.009 1.00 0.00 N ATOM 1432 CA VAL A 92 3.757 7.432 6.135 1.00 0.00 C ATOM 1433 C VAL A 92 2.345 7.117 6.624 1.00 0.00 C ATOM 1434 O VAL A 92 2.167 6.615 7.733 1.00 0.00 O ATOM 1435 CB VAL A 92 3.916 6.968 4.667 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.250 7.432 4.099 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.787 5.451 4.556 1.00 0.00 C ATOM 0 H VAL A 92 4.735 5.792 6.998 1.00 0.00 H new ATOM 0 HA VAL A 92 3.923 8.509 6.168 1.00 0.00 H new ATOM 0 HB VAL A 92 3.115 7.420 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.342 7.096 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.301 8.520 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.063 7.013 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.903 5.151 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.561 4.975 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.806 5.142 4.916 1.00 0.00 H new ATOM 1447 N LYS A 93 1.348 7.421 5.806 1.00 0.00 N ATOM 1448 CA LYS A 93 -0.037 7.157 6.173 1.00 0.00 C ATOM 1449 C LYS A 93 -0.394 5.696 5.934 1.00 0.00 C ATOM 1450 O LYS A 93 -0.127 5.147 4.864 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.992 8.036 5.369 1.00 0.00 C ATOM 1452 CG LYS A 93 -0.837 9.528 5.607 1.00 0.00 C ATOM 1453 CD LYS A 93 -1.834 10.296 4.761 1.00 0.00 C ATOM 1454 CE LYS A 93 -1.776 11.792 5.005 1.00 0.00 C ATOM 1455 NZ LYS A 93 -2.798 12.505 4.197 1.00 0.00 N ATOM 0 H LYS A 93 1.470 7.849 4.888 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.140 7.387 7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.843 7.834 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.016 7.749 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.993 9.754 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.178 9.840 5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.641 10.096 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.840 9.935 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.936 11.998 6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.783 12.166 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.926 13.467 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.484 12.556 3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.701 11.991 4.247 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.993 5.071 6.934 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.487 3.710 6.800 1.00 0.00 C ATOM 1471 C HIS A 94 -3.003 3.725 6.642 1.00 0.00 C ATOM 1472 O HIS A 94 -3.725 4.129 7.554 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.091 2.876 8.024 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.548 1.447 7.971 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.513 0.932 8.804 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.137 0.416 7.197 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.672 -0.351 8.554 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -1.847 -0.696 7.580 1.00 0.00 N ATOM 0 H HIS A 94 -1.150 5.487 7.852 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.041 3.258 5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.006 2.895 8.126 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.504 3.344 8.917 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.388 0.459 6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.361 -1.011 9.060 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.754 -1.630 7.181 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.482 3.300 5.483 1.00 0.00 N ATOM 1488 CA TYR A 95 -4.911 3.273 5.224 1.00 0.00 C ATOM 1489 C TYR A 95 -5.472 1.885 5.480 1.00 0.00 C ATOM 1490 O TYR A 95 -4.798 0.877 5.256 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.213 3.720 3.794 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.933 5.184 3.560 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -5.879 6.139 3.892 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -3.728 5.612 3.018 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -5.637 7.483 3.697 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -3.476 6.957 2.815 1.00 0.00 C ATOM 1497 CZ TYR A 95 -4.437 7.890 3.157 1.00 0.00 C ATOM 1498 OH TYR A 95 -4.198 9.233 2.975 1.00 0.00 O ATOM 0 H TYR A 95 -2.904 2.970 4.710 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.394 3.972 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.617 3.127 3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.260 3.516 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.824 5.826 4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.976 4.884 2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.386 8.213 3.967 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.535 7.276 2.392 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.307 9.357 2.586 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.702 1.845 5.961 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.352 0.593 6.306 1.00 0.00 C ATOM 1510 C GLU A 96 -8.042 -0.003 5.090 1.00 0.00 C ATOM 1511 O GLU A 96 -8.980 0.579 4.548 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.351 0.832 7.433 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.681 1.234 8.737 1.00 0.00 C ATOM 1514 CD GLU A 96 -8.655 1.792 9.746 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -9.027 2.972 9.616 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -9.051 1.062 10.683 1.00 0.00 O ATOM 0 H GLU A 96 -7.275 2.673 6.123 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.600 -0.119 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.050 1.612 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.935 -0.074 7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.179 0.366 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.912 1.978 8.531 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.555 -1.155 4.656 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.105 -1.830 3.491 1.00 0.00 C ATOM 1525 C ALA A 97 -8.779 -3.132 3.898 1.00 0.00 C ATOM 1526 O ALA A 97 -8.347 -3.794 4.845 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.010 -2.093 2.470 1.00 0.00 C ATOM 0 H ALA A 97 -6.776 -1.644 5.096 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.856 -1.183 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.435 -2.599 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.569 -1.147 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.240 -2.723 2.916 1.00 0.00 H new ATOM 1533 N ARG A 98 -9.845 -3.492 3.194 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.569 -4.724 3.483 1.00 0.00 C ATOM 1535 C ARG A 98 -11.215 -5.280 2.222 1.00 0.00 C ATOM 1536 O ARG A 98 -11.276 -4.602 1.194 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.649 -4.490 4.543 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.828 -3.664 4.051 1.00 0.00 C ATOM 1539 CD ARG A 98 -13.903 -3.545 5.116 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.049 -2.761 4.659 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.085 -2.443 5.429 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.131 -2.858 6.687 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.080 -1.721 4.935 1.00 0.00 N ATOM 0 H ARG A 98 -10.227 -2.949 2.420 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.847 -5.446 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.015 -5.455 4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.200 -3.989 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.484 -2.670 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.249 -4.124 3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.238 -4.541 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.480 -3.081 6.007 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.054 -2.439 3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.371 -3.422 7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.927 -2.613 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.051 -1.409 3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.875 -1.477 5.525 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.708 -6.505 2.316 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.392 -7.145 1.207 1.00 0.00 C ATOM 1559 C VAL A 99 -13.877 -7.290 1.525 1.00 0.00 C ATOM 1560 O VAL A 99 -14.303 -8.247 2.174 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.784 -8.527 0.882 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.480 -9.167 -0.309 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.292 -8.408 0.620 1.00 0.00 C ATOM 0 H VAL A 99 -11.645 -7.079 3.157 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.267 -6.512 0.328 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.936 -9.170 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.031 -10.139 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.539 -9.297 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.370 -8.525 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.883 -9.392 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.123 -7.741 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.798 -8.005 1.504 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.650 -6.319 1.071 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.085 -6.275 1.299 1.00 0.00 C ATOM 1575 C LYS A 100 -16.809 -7.131 0.267 1.00 0.00 C ATOM 1576 O LYS A 100 -17.019 -6.703 -0.868 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.558 -4.821 1.221 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.053 -4.639 1.009 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.342 -3.219 0.564 1.00 0.00 C ATOM 1580 CE LYS A 100 -19.752 -3.039 0.044 1.00 0.00 C ATOM 1581 NZ LYS A 100 -19.948 -1.668 -0.505 1.00 0.00 N ATOM 0 H LYS A 100 -14.296 -5.531 0.528 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.312 -6.674 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.273 -4.313 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.028 -4.326 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.411 -5.344 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.589 -4.856 1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.180 -2.541 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.634 -2.937 -0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.954 -3.778 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.466 -3.218 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.900 -1.592 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.844 -0.970 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.237 -1.484 -1.242 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.135 -8.362 0.656 1.00 0.00 N ATOM 1596 CA ASP A 101 -17.855 -9.301 -0.212 1.00 0.00 C ATOM 1597 C ASP A 101 -17.085 -9.556 -1.516 1.00 0.00 C ATOM 1598 O ASP A 101 -17.626 -10.078 -2.489 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.264 -8.764 -0.499 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.161 -9.782 -1.176 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -20.354 -10.879 -0.610 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.685 -9.485 -2.274 1.00 0.00 O ATOM 0 H ASP A 101 -16.910 -8.739 1.577 1.00 0.00 H new ATOM 0 HA ASP A 101 -17.941 -10.257 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.724 -8.449 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.188 -7.879 -1.130 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.806 -9.207 -1.519 1.00 0.00 N ATOM 1608 CA GLY A 102 -15.002 -9.366 -2.713 1.00 0.00 C ATOM 1609 C GLY A 102 -14.608 -8.038 -3.330 1.00 0.00 C ATOM 1610 O GLY A 102 -13.985 -8.002 -4.386 1.00 0.00 O ATOM 0 H GLY A 102 -15.312 -8.817 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.102 -9.930 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.557 -9.953 -3.445 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.986 -6.947 -2.678 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.641 -5.604 -3.141 1.00 0.00 C ATOM 1616 C VAL A 103 -13.616 -4.959 -2.208 1.00 0.00 C ATOM 1617 O VAL A 103 -13.814 -4.917 -0.996 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.896 -4.705 -3.220 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.545 -3.311 -3.718 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.955 -5.338 -4.111 1.00 0.00 C ATOM 0 H VAL A 103 -15.536 -6.964 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.211 -5.701 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.301 -4.610 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.448 -2.702 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.830 -2.850 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.105 -3.380 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.830 -4.689 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.553 -5.471 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.241 -6.308 -3.703 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.527 -4.461 -2.773 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.484 -3.814 -1.986 1.00 0.00 C ATOM 1632 C VAL A 104 -11.916 -2.409 -1.593 1.00 0.00 C ATOM 1633 O VAL A 104 -12.213 -1.584 -2.458 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.153 -3.715 -2.764 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.036 -3.209 -1.863 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.785 -5.058 -3.379 1.00 0.00 C ATOM 0 H VAL A 104 -12.341 -4.492 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.328 -4.428 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.287 -2.997 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.109 -3.148 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.295 -2.221 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.903 -3.896 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.844 -4.964 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.676 -5.802 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.571 -5.371 -4.066 1.00 0.00 H new ATOM 1646 N GLN A 105 -11.962 -2.136 -0.299 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.301 -0.798 0.163 1.00 0.00 C ATOM 1648 C GLN A 105 -11.140 -0.175 0.910 1.00 0.00 C ATOM 1649 O GLN A 105 -10.309 -0.883 1.483 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.515 -0.808 1.082 1.00 0.00 C ATOM 1651 CG GLN A 105 -14.717 -1.525 0.518 1.00 0.00 C ATOM 1652 CD GLN A 105 -15.983 -1.130 1.238 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.311 -1.682 2.287 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -16.717 -0.193 0.669 1.00 0.00 N ATOM 0 H GLN A 105 -11.772 -2.811 0.441 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.532 -0.211 -0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.237 -1.277 2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -13.794 0.221 1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -14.814 -1.296 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.571 -2.602 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -16.407 0.239 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -17.594 0.100 1.100 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.101 1.147 0.904 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.113 1.891 1.668 1.00 0.00 C ATOM 1665 C LEU A 106 -10.810 2.850 2.620 1.00 0.00 C ATOM 1666 O LEU A 106 -11.683 3.609 2.202 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.196 2.698 0.744 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.446 1.901 -0.322 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.545 2.827 -1.122 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.636 0.782 0.310 1.00 0.00 C ATOM 0 H LEU A 106 -11.748 1.731 0.374 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.513 1.173 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.796 3.459 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.464 3.222 1.359 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.174 1.449 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.013 2.252 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.149 3.594 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.825 3.300 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.111 0.229 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.912 1.205 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.304 0.108 0.847 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.450 2.796 3.893 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.910 3.787 4.851 1.00 0.00 C ATOM 1684 C ARG A 107 -9.750 4.664 5.285 1.00 0.00 C ATOM 1685 O ARG A 107 -8.787 4.191 5.894 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.558 3.152 6.089 1.00 0.00 C ATOM 1687 CG ARG A 107 -11.976 4.180 7.128 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.643 3.545 8.338 1.00 0.00 C ATOM 1689 NE ARG A 107 -11.690 3.183 9.379 1.00 0.00 N ATOM 1690 CZ ARG A 107 -11.934 3.301 10.685 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -13.069 3.837 11.115 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -11.024 2.904 11.563 1.00 0.00 N ATOM 0 H ARG A 107 -9.842 2.077 4.285 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.671 4.385 4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.431 2.577 5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.857 2.450 6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.100 4.741 7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.661 4.895 6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.378 4.238 8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.186 2.654 8.023 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.782 2.818 9.092 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -13.765 4.164 10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.246 3.922 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.141 2.510 11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.207 2.993 12.563 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.838 5.932 4.945 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.857 6.891 5.390 1.00 0.00 C ATOM 1708 C GLY A 108 -9.501 8.010 6.167 1.00 0.00 C ATOM 1709 O GLY A 108 -9.886 9.031 5.596 1.00 0.00 O ATOM 0 H GLY A 108 -10.580 6.320 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.114 6.393 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.328 7.300 4.529 1.00 0.00 H new