USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 721 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 55 HIS :FLIP no HD1:sc= -2.9! C(o=-5.9!,f=-2.1!) USER MOD Set 1.2: A 90 SER OG : rot -62:sc= 0.815 USER MOD Set 2.1: A 63 ASN :FLIP amide:sc= -0.271 F(o=-2.4,f=-0.23) USER MOD Set 2.2: A 66 SER OG : rot 114:sc= 0.0393 USER MOD Set 3.1: A 17 MET CE :methyl 158:sc= -0.781 (180deg=-0.0315) USER MOD Set 3.2: A 50 TYR OH : rot 100:sc= -0.0749 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.35 (180deg=0.676) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0835) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.0376 (180deg=-0.265) USER MOD Single : A 10 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.32) USER MOD Single : A 13 MET CE :methyl -108:sc= -4.67! (180deg=-9.96!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -3.49! C(o=-5.3!,f=-3.5!) USER MOD Single : A 19 GLN : amide:sc= -0.899 K(o=-0.9,f=-3.4!) USER MOD Single : A 24 CYS SG : rot -13:sc= -6.13! USER MOD Single : A 26 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.602 F(o=-3.2!,f=-0.6) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 0.0266 (180deg=-0.11) USER MOD Single : A 32 TYR OH : rot 47:sc= 0.426 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.558 F(o=-3.2,f=-0.56) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= -0.03 (180deg=-0.274) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0207 (180deg=-0.168) USER MOD Single : A 44 LYS NZ :NH3+ -98:sc= -2.33! (180deg=-5.27!) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0212 (180deg=-0.256) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -2.72! C(o=-4.4!,f=-2.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.21! USER MOD Single : A 56 CYS SG : rot 28:sc= -0.825 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.6) USER MOD Single : A 72 THR OG1 : rot 8:sc= 0.947 USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -0.037 (180deg=-0.25) USER MOD Single : A 74 HIS :FLIP no HD1:sc=-0.00489 F(o=-1,f=-0.0049) USER MOD Single : A 77 TYR OH : rot 167:sc= 1.25 USER MOD Single : A 79 TYR OH : rot 30:sc= -0.754 USER MOD Single : A 82 GLN : amide:sc= -0.0337 X(o=-0.034,f=-0.034) USER MOD Single : A 89 LYS NZ :NH3+ 143:sc= 0.691 (180deg=-0.484) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.141 6.590 15.240 1.00 0.00 N ATOM 2 CA MET A 1 9.281 6.316 14.322 1.00 0.00 C ATOM 3 C MET A 1 9.548 7.507 13.407 1.00 0.00 C ATOM 4 O MET A 1 8.793 8.479 13.400 1.00 0.00 O ATOM 5 CB MET A 1 8.965 5.071 13.483 1.00 0.00 C ATOM 6 CG MET A 1 8.903 3.777 14.284 1.00 0.00 C ATOM 7 SD MET A 1 7.472 3.689 15.379 1.00 0.00 S ATOM 8 CE MET A 1 7.720 2.083 16.132 1.00 0.00 C ATOM 0 H1 MET A 1 7.740 5.690 15.574 1.00 0.00 H new ATOM 0 H2 MET A 1 8.476 7.143 16.054 1.00 0.00 H new ATOM 0 H3 MET A 1 7.409 7.128 14.734 1.00 0.00 H new ATOM 0 HA MET A 1 10.177 6.144 14.918 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.010 5.219 12.979 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.723 4.968 12.706 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.879 2.932 13.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.813 3.680 14.877 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.913 1.883 16.837 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.725 1.315 15.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.674 2.072 16.660 1.00 0.00 H new ATOM 20 N SER A 2 10.627 7.424 12.635 1.00 0.00 N ATOM 21 CA SER A 2 10.995 8.492 11.717 1.00 0.00 C ATOM 22 C SER A 2 10.721 8.084 10.272 1.00 0.00 C ATOM 23 O SER A 2 11.641 7.989 9.457 1.00 0.00 O ATOM 24 CB SER A 2 12.470 8.858 11.890 1.00 0.00 C ATOM 25 OG SER A 2 12.735 9.300 13.210 1.00 0.00 O ATOM 0 H SER A 2 11.262 6.626 12.628 1.00 0.00 H new ATOM 0 HA SER A 2 10.385 9.365 11.950 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.092 7.992 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.739 9.640 11.180 1.00 0.00 H new ATOM 0 HG SER A 2 13.685 9.526 13.295 1.00 0.00 H new ATOM 31 N ASP A 3 9.451 7.849 9.960 1.00 0.00 N ATOM 32 CA ASP A 3 9.051 7.454 8.617 1.00 0.00 C ATOM 33 C ASP A 3 7.857 8.273 8.146 1.00 0.00 C ATOM 34 O ASP A 3 7.057 7.814 7.330 1.00 0.00 O ATOM 35 CB ASP A 3 8.711 5.962 8.574 1.00 0.00 C ATOM 36 CG ASP A 3 9.899 5.078 8.906 1.00 0.00 C ATOM 37 OD1 ASP A 3 10.997 5.621 9.146 1.00 0.00 O ATOM 38 OD2 ASP A 3 9.731 3.840 8.925 1.00 0.00 O ATOM 0 H ASP A 3 8.679 7.926 10.623 1.00 0.00 H new ATOM 0 HA ASP A 3 9.889 7.644 7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.904 5.758 9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.340 5.707 7.581 1.00 0.00 H new ATOM 43 N ARG A 4 7.745 9.491 8.664 1.00 0.00 N ATOM 44 CA ARG A 4 6.651 10.383 8.297 1.00 0.00 C ATOM 45 C ARG A 4 5.298 9.721 8.542 1.00 0.00 C ATOM 46 O ARG A 4 4.321 10.015 7.855 1.00 0.00 O ATOM 47 CB ARG A 4 6.780 10.787 6.830 1.00 0.00 C ATOM 48 CG ARG A 4 8.127 11.404 6.495 1.00 0.00 C ATOM 49 CD ARG A 4 8.250 11.702 5.009 1.00 0.00 C ATOM 50 NE ARG A 4 7.219 12.629 4.548 1.00 0.00 N ATOM 51 CZ ARG A 4 7.101 13.040 3.286 1.00 0.00 C ATOM 52 NH1 ARG A 4 7.945 12.606 2.360 1.00 0.00 N ATOM 53 NH2 ARG A 4 6.136 13.884 2.954 1.00 0.00 N ATOM 0 H ARG A 4 8.400 9.884 9.340 1.00 0.00 H new ATOM 0 HA ARG A 4 6.710 11.274 8.923 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.624 9.909 6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.991 11.498 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.258 12.325 7.064 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.924 10.726 6.798 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.234 12.124 4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.179 10.772 4.446 1.00 0.00 H new ATOM 0 HE ARG A 4 6.550 12.982 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.688 11.955 2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.851 12.923 1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.484 14.219 3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.044 14.200 1.988 1.00 0.00 H new ATOM 67 N LYS A 5 5.262 8.819 9.522 1.00 0.00 N ATOM 68 CA LYS A 5 4.057 8.086 9.887 1.00 0.00 C ATOM 69 C LYS A 5 3.788 6.927 8.928 1.00 0.00 C ATOM 70 O LYS A 5 3.068 5.989 9.272 1.00 0.00 O ATOM 71 CB LYS A 5 2.847 9.017 9.976 1.00 0.00 C ATOM 72 CG LYS A 5 1.553 8.274 10.228 1.00 0.00 C ATOM 73 CD LYS A 5 1.668 7.378 11.446 1.00 0.00 C ATOM 74 CE LYS A 5 0.423 6.525 11.626 1.00 0.00 C ATOM 75 NZ LYS A 5 -0.790 7.355 11.863 1.00 0.00 N ATOM 0 H LYS A 5 6.076 8.577 10.087 1.00 0.00 H new ATOM 0 HA LYS A 5 4.226 7.660 10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.008 9.739 10.777 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.761 9.583 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.742 8.988 10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.298 7.675 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.541 6.733 11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.824 7.989 12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.274 5.909 10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.567 5.845 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.589 6.738 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.608 8.021 12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.021 7.886 10.999 1.00 0.00 H new ATOM 89 N ALA A 6 4.377 6.978 7.737 1.00 0.00 N ATOM 90 CA ALA A 6 4.201 5.911 6.763 1.00 0.00 C ATOM 91 C ALA A 6 4.834 4.629 7.277 1.00 0.00 C ATOM 92 O ALA A 6 6.000 4.345 7.001 1.00 0.00 O ATOM 93 CB ALA A 6 4.802 6.307 5.422 1.00 0.00 C ATOM 0 H ALA A 6 4.976 7.743 7.426 1.00 0.00 H new ATOM 0 HA ALA A 6 3.134 5.740 6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.661 5.497 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.309 7.207 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.868 6.502 5.544 1.00 0.00 H new ATOM 99 N VAL A 7 4.064 3.868 8.043 1.00 0.00 N ATOM 100 CA VAL A 7 4.563 2.620 8.615 1.00 0.00 C ATOM 101 C VAL A 7 3.464 1.570 8.739 1.00 0.00 C ATOM 102 O VAL A 7 2.278 1.894 8.750 1.00 0.00 O ATOM 103 CB VAL A 7 5.188 2.863 10.005 1.00 0.00 C ATOM 104 CG1 VAL A 7 5.770 1.576 10.572 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.248 3.951 9.932 1.00 0.00 C ATOM 0 H VAL A 7 3.098 4.089 8.283 1.00 0.00 H new ATOM 0 HA VAL A 7 5.325 2.245 7.931 1.00 0.00 H new ATOM 0 HB VAL A 7 4.400 3.199 10.678 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.204 1.774 11.552 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.980 0.831 10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.543 1.200 9.902 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.677 4.108 10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.034 3.648 9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.794 4.878 9.582 1.00 0.00 H new ATOM 115 N ILE A 8 3.874 0.308 8.834 1.00 0.00 N ATOM 116 CA ILE A 8 2.936 -0.802 8.959 1.00 0.00 C ATOM 117 C ILE A 8 2.311 -0.840 10.352 1.00 0.00 C ATOM 118 O ILE A 8 2.858 -0.284 11.304 1.00 0.00 O ATOM 119 CB ILE A 8 3.632 -2.152 8.685 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.317 -2.129 7.318 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.631 -3.295 8.758 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.048 -3.413 6.991 1.00 0.00 C ATOM 0 H ILE A 8 4.855 0.029 8.827 1.00 0.00 H new ATOM 0 HA ILE A 8 2.153 -0.644 8.217 1.00 0.00 H new ATOM 0 HB ILE A 8 4.390 -2.311 9.452 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.569 -1.939 6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.023 -1.299 7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.141 -4.238 8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.184 -3.324 9.752 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.850 -3.143 8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.511 -3.328 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.819 -3.594 7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.342 -4.243 6.989 1.00 0.00 H new ATOM 134 N LYS A 9 1.167 -1.509 10.461 1.00 0.00 N ATOM 135 CA LYS A 9 0.469 -1.630 11.736 1.00 0.00 C ATOM 136 C LYS A 9 0.468 -3.078 12.216 1.00 0.00 C ATOM 137 O LYS A 9 0.941 -3.379 13.312 1.00 0.00 O ATOM 138 CB LYS A 9 -0.970 -1.126 11.600 1.00 0.00 C ATOM 139 CG LYS A 9 -1.774 -1.224 12.887 1.00 0.00 C ATOM 140 CD LYS A 9 -3.197 -0.726 12.692 1.00 0.00 C ATOM 141 CE LYS A 9 -4.001 -0.823 13.979 1.00 0.00 C ATOM 142 NZ LYS A 9 -4.092 -2.224 14.471 1.00 0.00 N ATOM 0 H LYS A 9 0.704 -1.976 9.681 1.00 0.00 H new ATOM 0 HA LYS A 9 0.994 -1.021 12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.953 -0.087 11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.475 -1.699 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.793 -2.259 13.228 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.286 -0.640 13.668 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.178 0.309 12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.685 -1.310 11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.539 -0.199 14.744 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.004 -0.431 13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.830 -2.288 15.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.331 -2.855 13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.178 -2.509 14.877 1.00 0.00 H new ATOM 156 N ASN A 10 -0.066 -3.969 11.388 1.00 0.00 N ATOM 157 CA ASN A 10 -0.128 -5.389 11.722 1.00 0.00 C ATOM 158 C ASN A 10 -0.597 -6.203 10.520 1.00 0.00 C ATOM 159 O ASN A 10 -1.285 -5.687 9.640 1.00 0.00 O ATOM 160 CB ASN A 10 -1.069 -5.615 12.908 1.00 0.00 C ATOM 161 CG ASN A 10 -1.150 -7.074 13.313 1.00 0.00 C ATOM 162 OD1 ASN A 10 -0.146 -7.687 13.674 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.350 -7.639 13.255 1.00 0.00 N ATOM 0 H ASN A 10 -0.463 -3.733 10.479 1.00 0.00 H new ATOM 0 HA ASN A 10 0.873 -5.721 11.997 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.727 -5.024 13.757 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.066 -5.256 12.651 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.466 -8.618 13.516 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.156 -7.094 12.950 1.00 0.00 H new ATOM 170 N ALA A 11 -0.218 -7.478 10.485 1.00 0.00 N ATOM 171 CA ALA A 11 -0.601 -8.354 9.384 1.00 0.00 C ATOM 172 C ALA A 11 -0.763 -9.797 9.853 1.00 0.00 C ATOM 173 O ALA A 11 -0.302 -10.170 10.931 1.00 0.00 O ATOM 174 CB ALA A 11 0.432 -8.279 8.268 1.00 0.00 C ATOM 0 H ALA A 11 0.351 -7.925 11.204 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.564 -8.013 9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.134 -8.938 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.498 -7.255 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.404 -8.591 8.650 1.00 0.00 H new ATOM 180 N ASP A 12 -1.418 -10.605 9.025 1.00 0.00 N ATOM 181 CA ASP A 12 -1.640 -12.011 9.338 1.00 0.00 C ATOM 182 C ASP A 12 -1.062 -12.895 8.237 1.00 0.00 C ATOM 183 O ASP A 12 -1.661 -13.897 7.847 1.00 0.00 O ATOM 184 CB ASP A 12 -3.136 -12.290 9.506 1.00 0.00 C ATOM 185 CG ASP A 12 -3.420 -13.722 9.923 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.453 -14.490 10.109 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.611 -14.072 10.069 1.00 0.00 O ATOM 0 H ASP A 12 -1.805 -10.308 8.129 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.134 -12.241 10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.547 -11.610 10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.649 -12.081 8.567 1.00 0.00 H new ATOM 192 N MET A 13 0.105 -12.508 7.734 1.00 0.00 N ATOM 193 CA MET A 13 0.771 -13.254 6.674 1.00 0.00 C ATOM 194 C MET A 13 2.183 -13.663 7.087 1.00 0.00 C ATOM 195 O MET A 13 2.571 -13.504 8.244 1.00 0.00 O ATOM 196 CB MET A 13 0.818 -12.418 5.391 1.00 0.00 C ATOM 197 CG MET A 13 -0.275 -12.760 4.396 1.00 0.00 C ATOM 198 SD MET A 13 -1.917 -12.339 5.001 1.00 0.00 S ATOM 199 CE MET A 13 -1.763 -10.562 5.164 1.00 0.00 C ATOM 0 H MET A 13 0.611 -11.679 8.045 1.00 0.00 H new ATOM 0 HA MET A 13 0.198 -14.162 6.489 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.740 -11.363 5.653 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.788 -12.557 4.913 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.089 -12.231 3.461 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.237 -13.826 4.172 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.721 -10.296 6.220 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.851 -10.229 4.669 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.624 -10.078 4.702 1.00 0.00 H new ATOM 209 N SER A 14 2.945 -14.191 6.133 1.00 0.00 N ATOM 210 CA SER A 14 4.316 -14.624 6.395 1.00 0.00 C ATOM 211 C SER A 14 5.276 -13.437 6.484 1.00 0.00 C ATOM 212 O SER A 14 6.473 -13.623 6.693 1.00 0.00 O ATOM 213 CB SER A 14 4.783 -15.587 5.300 1.00 0.00 C ATOM 214 OG SER A 14 3.958 -16.738 5.248 1.00 0.00 O ATOM 0 H SER A 14 2.637 -14.330 5.171 1.00 0.00 H new ATOM 0 HA SER A 14 4.322 -15.135 7.358 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.767 -15.081 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.815 -15.883 5.488 1.00 0.00 H new ATOM 0 HG SER A 14 4.276 -17.336 4.540 1.00 0.00 H new ATOM 220 N GLU A 15 4.738 -12.222 6.325 1.00 0.00 N ATOM 221 CA GLU A 15 5.523 -10.983 6.386 1.00 0.00 C ATOM 222 C GLU A 15 6.055 -10.587 5.014 1.00 0.00 C ATOM 223 O GLU A 15 6.293 -9.407 4.750 1.00 0.00 O ATOM 224 CB GLU A 15 6.679 -11.090 7.388 1.00 0.00 C ATOM 225 CG GLU A 15 6.238 -11.497 8.786 1.00 0.00 C ATOM 226 CD GLU A 15 7.396 -11.590 9.762 1.00 0.00 C ATOM 227 OE1 GLU A 15 8.547 -11.344 9.346 1.00 0.00 O ATOM 228 OE2 GLU A 15 7.149 -11.910 10.944 1.00 0.00 O ATOM 0 H GLU A 15 3.745 -12.070 6.150 1.00 0.00 H new ATOM 0 HA GLU A 15 4.845 -10.202 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.403 -11.816 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.191 -10.129 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.512 -10.774 9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.732 -12.461 8.736 1.00 0.00 H new ATOM 235 N ASP A 16 6.227 -11.567 4.139 1.00 0.00 N ATOM 236 CA ASP A 16 6.720 -11.297 2.798 1.00 0.00 C ATOM 237 C ASP A 16 5.679 -10.537 1.987 1.00 0.00 C ATOM 238 O ASP A 16 5.995 -9.940 0.959 1.00 0.00 O ATOM 239 CB ASP A 16 7.091 -12.601 2.089 1.00 0.00 C ATOM 240 CG ASP A 16 8.175 -13.368 2.818 1.00 0.00 C ATOM 241 OD1 ASP A 16 7.956 -13.734 3.992 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.244 -13.604 2.216 1.00 0.00 O ATOM 0 H ASP A 16 6.034 -12.550 4.332 1.00 0.00 H new ATOM 0 HA ASP A 16 7.614 -10.679 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.204 -13.228 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.426 -12.378 1.076 1.00 0.00 H new ATOM 247 N MET A 17 4.435 -10.553 2.462 1.00 0.00 N ATOM 248 CA MET A 17 3.359 -9.854 1.779 1.00 0.00 C ATOM 249 C MET A 17 3.237 -8.449 2.299 1.00 0.00 C ATOM 250 O MET A 17 3.186 -7.505 1.522 1.00 0.00 O ATOM 251 CB MET A 17 2.036 -10.606 1.920 1.00 0.00 C ATOM 252 CG MET A 17 2.000 -11.938 1.184 1.00 0.00 C ATOM 253 SD MET A 17 3.154 -13.148 1.861 1.00 0.00 S ATOM 254 CE MET A 17 2.840 -14.551 0.794 1.00 0.00 C ATOM 0 H MET A 17 4.153 -11.040 3.312 1.00 0.00 H new ATOM 0 HA MET A 17 3.601 -9.809 0.717 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.841 -10.782 2.978 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.229 -9.975 1.547 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.989 -12.344 1.228 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.232 -11.772 0.132 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.701 -15.219 0.808 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.959 -15.087 1.147 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.668 -14.202 -0.224 1.00 0.00 H new ATOM 264 N GLN A 18 3.240 -8.297 3.608 1.00 0.00 N ATOM 265 CA GLN A 18 3.193 -6.968 4.179 1.00 0.00 C ATOM 266 C GLN A 18 4.458 -6.227 3.751 1.00 0.00 C ATOM 267 O GLN A 18 4.511 -4.997 3.769 1.00 0.00 O ATOM 268 CB GLN A 18 3.055 -7.022 5.702 1.00 0.00 C ATOM 269 CG GLN A 18 4.043 -7.950 6.381 1.00 0.00 C ATOM 270 CD GLN A 18 3.739 -8.141 7.854 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.275 -9.336 8.212 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 3.896 -7.223 8.658 1.00 0.00 N flip ATOM 0 H GLN A 18 3.274 -9.060 4.284 1.00 0.00 H new ATOM 0 HA GLN A 18 2.315 -6.435 3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.182 -6.017 6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.043 -7.340 5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.030 -8.919 5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.050 -7.548 6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.255 -6.323 8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.668 -7.362 9.642 1.00 0.00 H new ATOM 281 N GLN A 19 5.464 -7.001 3.318 1.00 0.00 N ATOM 282 CA GLN A 19 6.713 -6.442 2.837 1.00 0.00 C ATOM 283 C GLN A 19 6.556 -5.987 1.392 1.00 0.00 C ATOM 284 O GLN A 19 6.809 -4.825 1.068 1.00 0.00 O ATOM 285 CB GLN A 19 7.832 -7.478 2.955 1.00 0.00 C ATOM 286 CG GLN A 19 9.160 -7.003 2.399 1.00 0.00 C ATOM 287 CD GLN A 19 9.686 -5.772 3.113 1.00 0.00 C ATOM 288 OE1 GLN A 19 9.040 -4.723 3.125 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.864 -5.894 3.713 1.00 0.00 N ATOM 0 H GLN A 19 5.426 -8.020 3.296 1.00 0.00 H new ATOM 0 HA GLN A 19 6.976 -5.578 3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.961 -7.743 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.532 -8.386 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.892 -7.806 2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.047 -6.782 1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.365 -6.782 3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.268 -5.100 4.209 1.00 0.00 H new ATOM 298 N ASP A 20 6.104 -6.895 0.529 1.00 0.00 N ATOM 299 CA ASP A 20 5.884 -6.550 -0.874 1.00 0.00 C ATOM 300 C ASP A 20 4.676 -5.635 -0.983 1.00 0.00 C ATOM 301 O ASP A 20 4.493 -4.940 -1.983 1.00 0.00 O ATOM 302 CB ASP A 20 5.692 -7.800 -1.736 1.00 0.00 C ATOM 303 CG ASP A 20 4.501 -8.634 -1.310 1.00 0.00 C ATOM 304 OD1 ASP A 20 3.392 -8.071 -1.196 1.00 0.00 O ATOM 305 OD2 ASP A 20 4.676 -9.853 -1.108 1.00 0.00 O ATOM 0 H ASP A 20 5.886 -7.861 0.771 1.00 0.00 H new ATOM 0 HA ASP A 20 6.768 -6.033 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.566 -7.501 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.593 -8.411 -1.686 1.00 0.00 H new ATOM 310 N ALA A 21 3.868 -5.620 0.070 1.00 0.00 N ATOM 311 CA ALA A 21 2.694 -4.770 0.122 1.00 0.00 C ATOM 312 C ALA A 21 3.126 -3.332 0.330 1.00 0.00 C ATOM 313 O ALA A 21 2.700 -2.429 -0.390 1.00 0.00 O ATOM 314 CB ALA A 21 1.750 -5.216 1.229 1.00 0.00 C ATOM 0 H ALA A 21 4.009 -6.192 0.902 1.00 0.00 H new ATOM 0 HA ALA A 21 2.154 -4.849 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.877 -4.563 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.432 -6.242 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.264 -5.163 2.189 1.00 0.00 H new ATOM 320 N VAL A 22 4.008 -3.130 1.304 1.00 0.00 N ATOM 321 CA VAL A 22 4.529 -1.803 1.581 1.00 0.00 C ATOM 322 C VAL A 22 5.337 -1.316 0.387 1.00 0.00 C ATOM 323 O VAL A 22 5.409 -0.117 0.119 1.00 0.00 O ATOM 324 CB VAL A 22 5.416 -1.786 2.842 1.00 0.00 C ATOM 325 CG1 VAL A 22 5.947 -0.384 3.109 1.00 0.00 C ATOM 326 CG2 VAL A 22 4.645 -2.306 4.047 1.00 0.00 C ATOM 0 H VAL A 22 4.373 -3.865 1.909 1.00 0.00 H new ATOM 0 HA VAL A 22 3.681 -1.142 1.760 1.00 0.00 H new ATOM 0 HB VAL A 22 6.267 -2.445 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.570 -0.395 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.540 -0.051 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.111 0.299 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.288 -2.286 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.773 -1.676 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.321 -3.329 3.858 1.00 0.00 H new ATOM 336 N ASP A 23 5.930 -2.261 -0.344 1.00 0.00 N ATOM 337 CA ASP A 23 6.712 -1.919 -1.527 1.00 0.00 C ATOM 338 C ASP A 23 5.798 -1.542 -2.657 1.00 0.00 C ATOM 339 O ASP A 23 5.880 -0.432 -3.172 1.00 0.00 O ATOM 340 CB ASP A 23 7.632 -3.070 -1.938 1.00 0.00 C ATOM 341 CG ASP A 23 8.679 -3.382 -0.887 1.00 0.00 C ATOM 342 OD1 ASP A 23 9.451 -2.467 -0.528 1.00 0.00 O ATOM 343 OD2 ASP A 23 8.732 -4.541 -0.425 1.00 0.00 O ATOM 0 H ASP A 23 5.883 -3.259 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 23 7.343 -1.064 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.032 -3.961 -2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.127 -2.818 -2.876 1.00 0.00 H new ATOM 348 N CYS A 24 4.903 -2.438 -3.030 1.00 0.00 N ATOM 349 CA CYS A 24 3.966 -2.123 -4.094 1.00 0.00 C ATOM 350 C CYS A 24 3.188 -0.865 -3.723 1.00 0.00 C ATOM 351 O CYS A 24 2.613 -0.209 -4.583 1.00 0.00 O ATOM 352 CB CYS A 24 3.008 -3.286 -4.359 1.00 0.00 C ATOM 353 SG CYS A 24 1.856 -3.623 -3.010 1.00 0.00 S ATOM 0 H CYS A 24 4.804 -3.368 -2.624 1.00 0.00 H new ATOM 0 HA CYS A 24 4.528 -1.949 -5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.438 -3.073 -5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.592 -4.185 -4.555 1.00 0.00 H new ATOM 0 HG CYS A 24 2.239 -2.987 -1.943 1.00 0.00 H new ATOM 359 N ALA A 25 3.207 -0.518 -2.432 1.00 0.00 N ATOM 360 CA ALA A 25 2.530 0.679 -1.958 1.00 0.00 C ATOM 361 C ALA A 25 3.449 1.880 -2.106 1.00 0.00 C ATOM 362 O ALA A 25 3.007 2.983 -2.432 1.00 0.00 O ATOM 363 CB ALA A 25 2.100 0.510 -0.508 1.00 0.00 C ATOM 0 H ALA A 25 3.683 -1.051 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 25 1.636 0.842 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.595 1.415 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.419 -0.337 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.978 0.331 0.113 1.00 0.00 H new ATOM 369 N THR A 26 4.739 1.649 -1.882 1.00 0.00 N ATOM 370 CA THR A 26 5.737 2.700 -2.006 1.00 0.00 C ATOM 371 C THR A 26 5.938 3.059 -3.470 1.00 0.00 C ATOM 372 O THR A 26 5.942 4.233 -3.840 1.00 0.00 O ATOM 373 CB THR A 26 7.063 2.258 -1.383 1.00 0.00 C ATOM 374 OG1 THR A 26 6.895 1.955 -0.010 1.00 0.00 O ATOM 375 CG2 THR A 26 8.155 3.300 -1.495 1.00 0.00 C ATOM 0 H THR A 26 5.116 0.740 -1.613 1.00 0.00 H new ATOM 0 HA THR A 26 5.382 3.581 -1.471 1.00 0.00 H new ATOM 0 HB THR A 26 7.367 1.376 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.614 1.021 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.067 2.922 -1.034 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.344 3.518 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.842 4.212 -0.986 1.00 0.00 H new ATOM 383 N GLN A 27 6.080 2.036 -4.306 1.00 0.00 N ATOM 384 CA GLN A 27 6.255 2.252 -5.734 1.00 0.00 C ATOM 385 C GLN A 27 4.944 2.710 -6.342 1.00 0.00 C ATOM 386 O GLN A 27 4.929 3.528 -7.261 1.00 0.00 O ATOM 387 CB GLN A 27 6.771 0.987 -6.425 1.00 0.00 C ATOM 388 CG GLN A 27 5.859 -0.216 -6.269 1.00 0.00 C ATOM 389 CD GLN A 27 6.546 -1.510 -6.655 1.00 0.00 C ATOM 390 OE1 GLN A 27 6.777 -2.368 -5.668 1.00 0.00 O flip ATOM 391 NE2 GLN A 27 6.877 -1.730 -7.820 1.00 0.00 N flip ATOM 0 H GLN A 27 6.077 1.057 -4.021 1.00 0.00 H new ATOM 0 HA GLN A 27 7.004 3.030 -5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.904 1.194 -7.487 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.753 0.740 -6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.520 -0.281 -5.235 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.972 -0.079 -6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.679 -1.041 -8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.350 -2.601 -8.060 1.00 0.00 H new ATOM 400 N ALA A 28 3.835 2.206 -5.806 1.00 0.00 N ATOM 401 CA ALA A 28 2.531 2.612 -6.295 1.00 0.00 C ATOM 402 C ALA A 28 2.332 4.100 -6.048 1.00 0.00 C ATOM 403 O ALA A 28 1.697 4.796 -6.838 1.00 0.00 O ATOM 404 CB ALA A 28 1.419 1.818 -5.628 1.00 0.00 C ATOM 0 H ALA A 28 3.817 1.527 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 28 2.489 2.411 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.455 2.146 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.553 0.757 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.451 1.981 -4.551 1.00 0.00 H new ATOM 410 N MET A 29 2.896 4.585 -4.943 1.00 0.00 N ATOM 411 CA MET A 29 2.801 5.988 -4.581 1.00 0.00 C ATOM 412 C MET A 29 3.790 6.814 -5.393 1.00 0.00 C ATOM 413 O MET A 29 3.566 7.997 -5.648 1.00 0.00 O ATOM 414 CB MET A 29 3.073 6.167 -3.087 1.00 0.00 C ATOM 415 CG MET A 29 3.018 7.614 -2.634 1.00 0.00 C ATOM 416 SD MET A 29 3.341 7.806 -0.870 1.00 0.00 S ATOM 417 CE MET A 29 3.210 9.584 -0.697 1.00 0.00 C ATOM 0 H MET A 29 3.426 4.017 -4.282 1.00 0.00 H new ATOM 0 HA MET A 29 1.791 6.335 -4.801 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.343 5.589 -2.520 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.056 5.758 -2.852 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.748 8.195 -3.198 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.036 8.026 -2.866 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.385 9.862 0.342 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.953 10.067 -1.332 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.212 9.906 -0.996 1.00 0.00 H new ATOM 427 N GLU A 30 4.881 6.177 -5.806 1.00 0.00 N ATOM 428 CA GLU A 30 5.901 6.842 -6.597 1.00 0.00 C ATOM 429 C GLU A 30 5.483 6.881 -8.060 1.00 0.00 C ATOM 430 O GLU A 30 5.651 7.891 -8.743 1.00 0.00 O ATOM 431 CB GLU A 30 7.240 6.119 -6.448 1.00 0.00 C ATOM 432 CG GLU A 30 8.351 6.725 -7.283 1.00 0.00 C ATOM 433 CD GLU A 30 9.673 6.004 -7.111 1.00 0.00 C ATOM 434 OE1 GLU A 30 10.178 5.954 -5.969 1.00 0.00 O ATOM 435 OE2 GLU A 30 10.203 5.489 -8.117 1.00 0.00 O ATOM 0 H GLU A 30 5.079 5.197 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 30 6.015 7.864 -6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.536 6.132 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.113 5.074 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.064 6.702 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.475 7.773 -7.009 1.00 0.00 H new ATOM 442 N LYS A 31 4.924 5.771 -8.524 1.00 0.00 N ATOM 443 CA LYS A 31 4.458 5.662 -9.903 1.00 0.00 C ATOM 444 C LYS A 31 3.061 6.258 -10.038 1.00 0.00 C ATOM 445 O LYS A 31 2.705 6.807 -11.081 1.00 0.00 O ATOM 446 CB LYS A 31 4.447 4.199 -10.348 1.00 0.00 C ATOM 447 CG LYS A 31 5.824 3.557 -10.360 1.00 0.00 C ATOM 448 CD LYS A 31 6.759 4.265 -11.326 1.00 0.00 C ATOM 449 CE LYS A 31 8.133 3.615 -11.350 1.00 0.00 C ATOM 450 NZ LYS A 31 8.788 3.641 -10.011 1.00 0.00 N ATOM 0 H LYS A 31 4.781 4.930 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 31 5.142 6.218 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.796 3.631 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.017 4.135 -11.347 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.248 3.583 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.735 2.508 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.330 4.248 -12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.856 5.312 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.040 2.583 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.765 4.131 -12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.785 3.362 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.734 4.602 -9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.302 2.978 -9.374 1.00 0.00 H new ATOM 464 N TYR A 32 2.279 6.155 -8.969 1.00 0.00 N ATOM 465 CA TYR A 32 0.923 6.690 -8.952 1.00 0.00 C ATOM 466 C TYR A 32 0.726 7.548 -7.718 1.00 0.00 C ATOM 467 O TYR A 32 1.158 7.189 -6.625 1.00 0.00 O ATOM 468 CB TYR A 32 -0.104 5.560 -9.003 1.00 0.00 C ATOM 469 CG TYR A 32 0.146 4.577 -10.124 1.00 0.00 C ATOM 470 CD1 TYR A 32 1.175 3.648 -10.038 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.638 4.584 -11.271 1.00 0.00 C ATOM 472 CE1 TYR A 32 1.415 2.752 -11.062 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.406 3.690 -12.298 1.00 0.00 C ATOM 474 CZ TYR A 32 0.621 2.776 -12.190 1.00 0.00 C ATOM 475 OH TYR A 32 0.854 1.883 -13.210 1.00 0.00 O ATOM 0 H TYR A 32 2.563 5.704 -8.099 1.00 0.00 H new ATOM 0 HA TYR A 32 0.776 7.311 -9.836 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.095 5.027 -8.052 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.100 5.988 -9.119 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.798 3.626 -9.156 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.442 5.300 -11.361 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.220 2.037 -10.980 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.026 3.707 -13.182 1.00 0.00 H new ATOM 0 HH TYR A 32 0.963 0.983 -12.838 1.00 0.00 H new ATOM 485 N ASN A 33 0.092 8.694 -7.900 1.00 0.00 N ATOM 486 CA ASN A 33 -0.140 9.615 -6.803 1.00 0.00 C ATOM 487 C ASN A 33 -1.622 9.715 -6.489 1.00 0.00 C ATOM 488 O ASN A 33 -2.048 10.582 -5.727 1.00 0.00 O ATOM 489 CB ASN A 33 0.427 10.997 -7.148 1.00 0.00 C ATOM 490 CG ASN A 33 1.924 10.981 -7.439 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.604 9.880 -7.114 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 2.474 11.966 -7.933 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.272 9.008 -8.800 1.00 0.00 H new ATOM 0 HA ASN A 33 0.370 9.235 -5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.100 11.392 -8.016 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.232 11.679 -6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.924 12.792 -8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.479 11.956 -8.105 1.00 0.00 H new ATOM 499 N ILE A 34 -2.407 8.815 -7.073 1.00 0.00 N ATOM 500 CA ILE A 34 -3.840 8.808 -6.836 1.00 0.00 C ATOM 501 C ILE A 34 -4.145 8.052 -5.549 1.00 0.00 C ATOM 502 O ILE A 34 -3.243 7.725 -4.779 1.00 0.00 O ATOM 503 CB ILE A 34 -4.617 8.133 -7.987 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.774 8.034 -9.258 1.00 0.00 C ATOM 505 CG2 ILE A 34 -5.920 8.873 -8.255 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.576 7.733 -10.509 1.00 0.00 C ATOM 0 H ILE A 34 -2.076 8.089 -7.708 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.157 9.848 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.853 7.115 -7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.238 8.972 -9.400 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.023 7.255 -9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.455 8.384 -9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.537 8.861 -7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.702 9.905 -8.532 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.906 7.679 -11.367 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.091 6.780 -10.390 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.309 8.524 -10.671 1.00 0.00 H new ATOM 518 N GLU A 35 -5.419 7.757 -5.335 1.00 0.00 N ATOM 519 CA GLU A 35 -5.845 7.011 -4.162 1.00 0.00 C ATOM 520 C GLU A 35 -6.576 5.746 -4.590 1.00 0.00 C ATOM 521 O GLU A 35 -6.567 4.739 -3.881 1.00 0.00 O ATOM 522 CB GLU A 35 -6.739 7.871 -3.267 1.00 0.00 C ATOM 523 CG GLU A 35 -6.058 9.128 -2.752 1.00 0.00 C ATOM 524 CD GLU A 35 -6.964 9.962 -1.867 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.413 9.444 -0.823 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.223 11.132 -2.217 1.00 0.00 O ATOM 0 H GLU A 35 -6.178 8.025 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.962 6.731 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.632 8.154 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.070 7.274 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.165 8.850 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.728 9.731 -3.598 1.00 0.00 H new ATOM 533 N LYS A 36 -7.197 5.801 -5.764 1.00 0.00 N ATOM 534 CA LYS A 36 -7.916 4.662 -6.303 1.00 0.00 C ATOM 535 C LYS A 36 -7.012 3.843 -7.221 1.00 0.00 C ATOM 536 O LYS A 36 -7.310 2.688 -7.525 1.00 0.00 O ATOM 537 CB LYS A 36 -9.156 5.129 -7.067 1.00 0.00 C ATOM 538 CG LYS A 36 -9.985 3.991 -7.639 1.00 0.00 C ATOM 539 CD LYS A 36 -11.204 4.509 -8.384 1.00 0.00 C ATOM 540 CE LYS A 36 -12.042 3.370 -8.942 1.00 0.00 C ATOM 541 NZ LYS A 36 -12.538 2.467 -7.866 1.00 0.00 N ATOM 0 H LYS A 36 -7.214 6.629 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.232 4.031 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.781 5.722 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.845 5.785 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.370 3.396 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.304 3.331 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.812 5.114 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.885 5.160 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.889 3.779 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.447 2.796 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.298 1.865 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.757 1.869 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.905 3.036 -7.077 1.00 0.00 H new ATOM 555 N ASP A 37 -5.894 4.438 -7.652 1.00 0.00 N ATOM 556 CA ASP A 37 -4.957 3.744 -8.513 1.00 0.00 C ATOM 557 C ASP A 37 -3.915 3.034 -7.669 1.00 0.00 C ATOM 558 O ASP A 37 -3.367 2.012 -8.070 1.00 0.00 O ATOM 559 CB ASP A 37 -4.279 4.713 -9.480 1.00 0.00 C ATOM 560 CG ASP A 37 -3.442 3.987 -10.512 1.00 0.00 C ATOM 561 OD1 ASP A 37 -2.573 3.184 -10.112 1.00 0.00 O ATOM 562 OD2 ASP A 37 -3.653 4.223 -11.721 1.00 0.00 O ATOM 0 H ASP A 37 -5.626 5.393 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.508 3.010 -9.101 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.037 5.313 -9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.647 5.402 -8.920 1.00 0.00 H new ATOM 567 N ILE A 38 -3.665 3.571 -6.478 1.00 0.00 N ATOM 568 CA ILE A 38 -2.716 2.966 -5.565 1.00 0.00 C ATOM 569 C ILE A 38 -3.312 1.682 -5.030 1.00 0.00 C ATOM 570 O ILE A 38 -2.619 0.694 -4.805 1.00 0.00 O ATOM 571 CB ILE A 38 -2.398 3.895 -4.378 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.001 5.280 -4.880 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.292 3.300 -3.519 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.788 5.266 -5.775 1.00 0.00 C ATOM 0 H ILE A 38 -4.108 4.421 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.790 2.777 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.293 3.994 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.839 5.716 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.805 5.926 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.080 3.969 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.611 2.331 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.392 3.173 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.561 6.283 -6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.063 4.859 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.988 4.646 -6.649 1.00 0.00 H new ATOM 586 N ALA A 39 -4.623 1.712 -4.865 1.00 0.00 N ATOM 587 CA ALA A 39 -5.359 0.555 -4.379 1.00 0.00 C ATOM 588 C ALA A 39 -5.689 -0.371 -5.536 1.00 0.00 C ATOM 589 O ALA A 39 -5.847 -1.579 -5.362 1.00 0.00 O ATOM 590 CB ALA A 39 -6.627 0.994 -3.663 1.00 0.00 C ATOM 0 H ALA A 39 -5.203 2.528 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.737 0.014 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.166 0.116 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.366 1.629 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.260 1.552 -4.353 1.00 0.00 H new ATOM 596 N ALA A 40 -5.773 0.212 -6.724 1.00 0.00 N ATOM 597 CA ALA A 40 -6.068 -0.549 -7.925 1.00 0.00 C ATOM 598 C ALA A 40 -4.785 -1.097 -8.535 1.00 0.00 C ATOM 599 O ALA A 40 -4.806 -2.080 -9.274 1.00 0.00 O ATOM 600 CB ALA A 40 -6.810 0.315 -8.932 1.00 0.00 C ATOM 0 H ALA A 40 -5.640 1.211 -6.879 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.708 -1.389 -7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.023 -0.270 -9.826 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.746 0.662 -8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.194 1.173 -9.199 1.00 0.00 H new ATOM 606 N TYR A 41 -3.665 -0.458 -8.210 1.00 0.00 N ATOM 607 CA TYR A 41 -2.369 -0.888 -8.721 1.00 0.00 C ATOM 608 C TYR A 41 -1.774 -1.937 -7.797 1.00 0.00 C ATOM 609 O TYR A 41 -1.101 -2.866 -8.242 1.00 0.00 O ATOM 610 CB TYR A 41 -1.418 0.301 -8.862 1.00 0.00 C ATOM 611 CG TYR A 41 -0.102 -0.052 -9.520 1.00 0.00 C ATOM 612 CD1 TYR A 41 -0.069 -0.614 -10.790 1.00 0.00 C ATOM 613 CD2 TYR A 41 1.104 0.181 -8.874 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.132 -0.937 -11.396 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.309 -0.138 -9.474 1.00 0.00 C ATOM 616 CZ TYR A 41 2.317 -0.697 -10.732 1.00 0.00 C ATOM 617 OH TYR A 41 3.514 -1.016 -11.333 1.00 0.00 O ATOM 0 H TYR A 41 -3.629 0.357 -7.597 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.511 -1.324 -9.710 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.908 1.081 -9.444 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.221 0.717 -7.874 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.995 -0.802 -11.312 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.102 0.619 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.142 -1.375 -12.383 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.239 0.051 -8.958 1.00 0.00 H new ATOM 0 HH TYR A 41 4.253 -0.783 -10.733 1.00 0.00 H new ATOM 627 N ILE A 42 -2.058 -1.793 -6.509 1.00 0.00 N ATOM 628 CA ILE A 42 -1.590 -2.737 -5.507 1.00 0.00 C ATOM 629 C ILE A 42 -2.482 -3.965 -5.528 1.00 0.00 C ATOM 630 O ILE A 42 -2.021 -5.098 -5.369 1.00 0.00 O ATOM 631 CB ILE A 42 -1.613 -2.109 -4.097 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.642 -0.930 -4.025 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.270 -3.149 -3.039 1.00 0.00 C ATOM 634 CD1 ILE A 42 -0.912 -0.004 -2.860 1.00 0.00 C ATOM 0 H ILE A 42 -2.614 -1.025 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.562 -3.012 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.620 -1.742 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.376 -1.311 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.701 -0.362 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.292 -2.686 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.998 -3.959 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.274 -3.548 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.188 0.811 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.919 0.405 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.824 -0.559 -1.926 1.00 0.00 H new ATOM 646 N LYS A 43 -3.766 -3.725 -5.764 1.00 0.00 N ATOM 647 CA LYS A 43 -4.738 -4.799 -5.847 1.00 0.00 C ATOM 648 C LYS A 43 -4.548 -5.528 -7.159 1.00 0.00 C ATOM 649 O LYS A 43 -4.704 -6.747 -7.238 1.00 0.00 O ATOM 650 CB LYS A 43 -6.163 -4.255 -5.740 1.00 0.00 C ATOM 651 CG LYS A 43 -7.233 -5.324 -5.888 1.00 0.00 C ATOM 652 CD LYS A 43 -8.629 -4.745 -5.720 1.00 0.00 C ATOM 653 CE LYS A 43 -8.915 -3.673 -6.760 1.00 0.00 C ATOM 654 NZ LYS A 43 -8.819 -4.203 -8.150 1.00 0.00 N ATOM 0 H LYS A 43 -4.155 -2.792 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.585 -5.488 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.284 -3.762 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.312 -3.495 -6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.148 -5.792 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.071 -6.107 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.368 -5.542 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.731 -4.321 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.912 -3.265 -6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.210 -2.851 -6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.214 -3.508 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.822 -4.380 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.354 -5.092 -8.220 1.00 0.00 H new ATOM 668 N LYS A 44 -4.177 -4.773 -8.186 1.00 0.00 N ATOM 669 CA LYS A 44 -3.925 -5.353 -9.488 1.00 0.00 C ATOM 670 C LYS A 44 -2.546 -5.996 -9.499 1.00 0.00 C ATOM 671 O LYS A 44 -2.291 -6.943 -10.243 1.00 0.00 O ATOM 672 CB LYS A 44 -4.021 -4.282 -10.573 1.00 0.00 C ATOM 673 CG LYS A 44 -3.688 -4.788 -11.966 1.00 0.00 C ATOM 674 CD LYS A 44 -3.611 -3.650 -12.970 1.00 0.00 C ATOM 675 CE LYS A 44 -4.980 -3.043 -13.256 1.00 0.00 C ATOM 676 NZ LYS A 44 -5.515 -2.280 -12.094 1.00 0.00 N ATOM 0 H LYS A 44 -4.046 -3.763 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.677 -6.116 -9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.031 -3.872 -10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.346 -3.463 -10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.736 -5.319 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.445 -5.504 -12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.944 -2.876 -12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.176 -4.016 -13.900 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.908 -2.382 -14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.679 -3.837 -13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.179 -2.878 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.730 -1.997 -11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.010 -1.431 -12.434 1.00 0.00 H new ATOM 690 N GLU A 45 -1.658 -5.475 -8.655 1.00 0.00 N ATOM 691 CA GLU A 45 -0.302 -5.999 -8.558 1.00 0.00 C ATOM 692 C GLU A 45 -0.298 -7.398 -7.958 1.00 0.00 C ATOM 693 O GLU A 45 0.488 -8.253 -8.364 1.00 0.00 O ATOM 694 CB GLU A 45 0.577 -5.066 -7.717 1.00 0.00 C ATOM 695 CG GLU A 45 1.993 -5.580 -7.510 1.00 0.00 C ATOM 696 CD GLU A 45 2.760 -5.734 -8.810 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.193 -5.418 -9.878 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.929 -6.170 -8.761 1.00 0.00 O ATOM 0 H GLU A 45 -1.854 -4.693 -8.031 1.00 0.00 H new ATOM 0 HA GLU A 45 0.107 -6.056 -9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.622 -4.090 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.108 -4.919 -6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.531 -4.894 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.954 -6.543 -7.001 1.00 0.00 H new ATOM 705 N PHE A 46 -1.171 -7.628 -6.982 1.00 0.00 N ATOM 706 CA PHE A 46 -1.243 -8.930 -6.330 1.00 0.00 C ATOM 707 C PHE A 46 -2.123 -9.913 -7.099 1.00 0.00 C ATOM 708 O PHE A 46 -1.741 -11.067 -7.297 1.00 0.00 O ATOM 709 CB PHE A 46 -1.743 -8.790 -4.891 1.00 0.00 C ATOM 710 CG PHE A 46 -0.751 -8.156 -3.951 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.461 -7.660 -4.413 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.033 -8.063 -2.599 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.368 -7.086 -3.543 1.00 0.00 C ATOM 714 CE2 PHE A 46 -0.129 -7.490 -1.724 1.00 0.00 C ATOM 715 CZ PHE A 46 1.072 -7.003 -2.197 1.00 0.00 C ATOM 0 H PHE A 46 -1.832 -6.937 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.231 -9.334 -6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.657 -8.196 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.006 -9.778 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.697 -7.724 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.971 -8.443 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.307 -6.703 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.363 -7.424 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.780 -6.557 -1.515 1.00 0.00 H new ATOM 725 N ASP A 47 -3.296 -9.466 -7.526 1.00 0.00 N ATOM 726 CA ASP A 47 -4.208 -10.335 -8.261 1.00 0.00 C ATOM 727 C ASP A 47 -3.625 -10.719 -9.621 1.00 0.00 C ATOM 728 O ASP A 47 -3.998 -11.742 -10.198 1.00 0.00 O ATOM 729 CB ASP A 47 -5.573 -9.664 -8.441 1.00 0.00 C ATOM 730 CG ASP A 47 -5.512 -8.428 -9.317 1.00 0.00 C ATOM 731 OD1 ASP A 47 -4.421 -8.124 -9.839 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.560 -7.769 -9.486 1.00 0.00 O ATOM 0 H ASP A 47 -3.637 -8.516 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.342 -11.245 -7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.269 -10.380 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.970 -9.391 -7.463 1.00 0.00 H new ATOM 737 N LYS A 48 -2.710 -9.896 -10.130 1.00 0.00 N ATOM 738 CA LYS A 48 -2.085 -10.157 -11.421 1.00 0.00 C ATOM 739 C LYS A 48 -0.879 -11.087 -11.281 1.00 0.00 C ATOM 740 O LYS A 48 -0.309 -11.523 -12.282 1.00 0.00 O ATOM 741 CB LYS A 48 -1.656 -8.841 -12.074 1.00 0.00 C ATOM 742 CG LYS A 48 -1.012 -9.015 -13.440 1.00 0.00 C ATOM 743 CD LYS A 48 -0.641 -7.676 -14.054 1.00 0.00 C ATOM 744 CE LYS A 48 0.007 -7.850 -15.419 1.00 0.00 C ATOM 745 NZ LYS A 48 -0.896 -8.539 -16.381 1.00 0.00 N ATOM 0 H LYS A 48 -2.387 -9.046 -9.668 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.821 -10.652 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.528 -8.194 -12.173 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.954 -8.331 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.119 -9.634 -13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.698 -9.543 -14.102 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.534 -7.058 -14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.043 -7.147 -13.390 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.283 -6.873 -15.817 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.928 -8.423 -15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.524 -8.430 -17.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.950 -9.550 -16.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.846 -8.119 -16.327 1.00 0.00 H new ATOM 759 N LYS A 49 -0.491 -11.393 -10.044 1.00 0.00 N ATOM 760 CA LYS A 49 0.650 -12.271 -9.809 1.00 0.00 C ATOM 761 C LYS A 49 0.608 -12.869 -8.404 1.00 0.00 C ATOM 762 O LYS A 49 1.569 -12.765 -7.642 1.00 0.00 O ATOM 763 CB LYS A 49 1.961 -11.507 -10.017 1.00 0.00 C ATOM 764 CG LYS A 49 3.198 -12.389 -9.954 1.00 0.00 C ATOM 765 CD LYS A 49 4.467 -11.590 -10.204 1.00 0.00 C ATOM 766 CE LYS A 49 5.701 -12.476 -10.150 1.00 0.00 C ATOM 767 NZ LYS A 49 6.949 -11.707 -10.404 1.00 0.00 N ATOM 0 H LYS A 49 -0.946 -11.049 -9.198 1.00 0.00 H new ATOM 0 HA LYS A 49 0.597 -13.089 -10.527 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.931 -11.007 -10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.042 -10.728 -9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.255 -12.868 -8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.116 -13.185 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.408 -11.106 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.553 -10.799 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.762 -12.954 -9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.609 -13.272 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.767 -12.348 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.903 -11.272 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.051 -10.963 -9.684 1.00 0.00 H new ATOM 781 N TYR A 50 -0.509 -13.509 -8.071 1.00 0.00 N ATOM 782 CA TYR A 50 -0.668 -14.137 -6.765 1.00 0.00 C ATOM 783 C TYR A 50 -1.943 -14.968 -6.726 1.00 0.00 C ATOM 784 O TYR A 50 -1.954 -16.054 -6.149 1.00 0.00 O ATOM 785 CB TYR A 50 -0.689 -13.086 -5.654 1.00 0.00 C ATOM 786 CG TYR A 50 -0.486 -13.667 -4.271 1.00 0.00 C ATOM 787 CD1 TYR A 50 -1.389 -14.581 -3.734 1.00 0.00 C ATOM 788 CD2 TYR A 50 0.615 -13.309 -3.504 1.00 0.00 C ATOM 789 CE1 TYR A 50 -1.197 -15.118 -2.476 1.00 0.00 C ATOM 790 CE2 TYR A 50 0.812 -13.842 -2.244 1.00 0.00 C ATOM 791 CZ TYR A 50 -0.095 -14.745 -1.735 1.00 0.00 C ATOM 792 OH TYR A 50 0.098 -15.279 -0.482 1.00 0.00 O ATOM 0 H TYR A 50 -1.316 -13.606 -8.687 1.00 0.00 H new ATOM 0 HA TYR A 50 0.185 -14.795 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.090 -12.348 -5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.642 -12.558 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.254 -14.875 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.330 -12.602 -3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.906 -15.827 -2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.674 -13.552 -1.661 1.00 0.00 H new ATOM 0 HH TYR A 50 0.755 -16.005 -0.533 1.00 0.00 H new ATOM 802 N ASN A 51 -3.005 -14.435 -7.348 1.00 0.00 N ATOM 803 CA ASN A 51 -4.328 -15.081 -7.424 1.00 0.00 C ATOM 804 C ASN A 51 -5.416 -14.141 -6.909 1.00 0.00 C ATOM 805 O ASN A 51 -5.330 -13.637 -5.788 1.00 0.00 O ATOM 806 CB ASN A 51 -4.398 -16.406 -6.646 1.00 0.00 C ATOM 807 CG ASN A 51 -3.630 -17.548 -7.306 1.00 0.00 C ATOM 808 OD1 ASN A 51 -2.928 -17.265 -8.402 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -3.661 -18.680 -6.823 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.971 -13.531 -7.819 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.492 -15.307 -8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.005 -16.248 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.442 -16.698 -6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.209 -18.861 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.138 -19.437 -7.264 1.00 0.00 H new ATOM 816 N PRO A 52 -6.460 -13.891 -7.720 1.00 0.00 N ATOM 817 CA PRO A 52 -7.565 -13.007 -7.332 1.00 0.00 C ATOM 818 C PRO A 52 -8.299 -13.521 -6.089 1.00 0.00 C ATOM 819 O PRO A 52 -8.486 -14.727 -5.932 1.00 0.00 O ATOM 820 CB PRO A 52 -8.496 -13.023 -8.551 1.00 0.00 C ATOM 821 CG PRO A 52 -8.116 -14.244 -9.317 1.00 0.00 C ATOM 822 CD PRO A 52 -6.651 -14.447 -9.070 1.00 0.00 C ATOM 0 HA PRO A 52 -7.215 -12.008 -7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.542 -13.059 -8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.370 -12.124 -9.155 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.691 -15.108 -8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.318 -14.116 -10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.377 -15.501 -9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.042 -13.928 -9.810 1.00 0.00 H new ATOM 830 N THR A 53 -8.725 -12.608 -5.208 1.00 0.00 N ATOM 831 CA THR A 53 -8.505 -11.183 -5.394 1.00 0.00 C ATOM 832 C THR A 53 -8.257 -10.516 -4.062 1.00 0.00 C ATOM 833 O THR A 53 -8.720 -10.976 -3.021 1.00 0.00 O ATOM 834 CB THR A 53 -9.698 -10.527 -6.073 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.150 -11.304 -7.166 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.389 -9.142 -6.595 1.00 0.00 C ATOM 0 H THR A 53 -9.229 -12.842 -4.353 1.00 0.00 H new ATOM 0 HA THR A 53 -7.630 -11.061 -6.033 1.00 0.00 H new ATOM 0 HB THR A 53 -10.466 -10.453 -5.303 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.918 -10.863 -7.585 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.278 -8.725 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.084 -8.501 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.582 -9.200 -7.325 1.00 0.00 H new ATOM 844 N TRP A 54 -7.519 -9.431 -4.107 1.00 0.00 N ATOM 845 CA TRP A 54 -7.195 -8.696 -2.897 1.00 0.00 C ATOM 846 C TRP A 54 -8.084 -7.474 -2.730 1.00 0.00 C ATOM 847 O TRP A 54 -8.508 -6.858 -3.708 1.00 0.00 O ATOM 848 CB TRP A 54 -5.723 -8.302 -2.898 1.00 0.00 C ATOM 849 CG TRP A 54 -4.819 -9.490 -2.984 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.396 -10.126 -4.116 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.271 -10.219 -1.885 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.587 -11.188 -3.786 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.498 -11.265 -2.419 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.352 -10.076 -0.499 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -2.809 -12.165 -1.610 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.671 -10.970 0.304 1.00 0.00 C ATOM 857 CH2 TRP A 54 -2.906 -12.003 -0.254 1.00 0.00 C ATOM 0 H TRP A 54 -7.131 -9.035 -4.963 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.381 -9.350 -2.045 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.527 -7.637 -3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.498 -7.742 -1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.658 -9.837 -5.123 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.129 -11.815 -4.448 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.937 -9.280 -0.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.219 -12.962 -2.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.729 -10.871 1.378 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.382 -12.685 0.399 1.00 0.00 H new ATOM 868 N HIS A 55 -8.380 -7.143 -1.479 1.00 0.00 N ATOM 869 CA HIS A 55 -9.239 -6.003 -1.175 1.00 0.00 C ATOM 870 C HIS A 55 -8.437 -4.809 -0.658 1.00 0.00 C ATOM 871 O HIS A 55 -8.745 -4.255 0.396 1.00 0.00 O ATOM 872 CB HIS A 55 -10.304 -6.405 -0.154 1.00 0.00 C ATOM 873 CG HIS A 55 -11.253 -7.442 -0.666 1.00 0.00 C ATOM 874 ND1 HIS A 55 -12.599 -7.420 -0.806 1.00 0.00 N flip ATOM 875 CD2 HIS A 55 -10.844 -8.682 -1.114 1.00 0.00 C flip ATOM 876 CE1 HIS A 55 -12.973 -8.633 -1.332 1.00 0.00 C flip ATOM 877 NE2 HIS A 55 -11.896 -9.375 -1.509 1.00 0.00 N flip ATOM 0 H HIS A 55 -8.039 -7.646 -0.660 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.724 -5.697 -2.102 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.813 -6.783 0.743 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.868 -5.520 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.822 -9.031 -1.138 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -13.985 -8.931 -1.563 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.879 -10.322 -1.887 1.00 0.00 H new ATOM 886 N CYS A 56 -7.419 -4.413 -1.411 1.00 0.00 N ATOM 887 CA CYS A 56 -6.585 -3.278 -1.037 1.00 0.00 C ATOM 888 C CYS A 56 -7.413 -1.995 -0.985 1.00 0.00 C ATOM 889 O CYS A 56 -8.027 -1.603 -1.978 1.00 0.00 O ATOM 890 CB CYS A 56 -5.434 -3.110 -2.033 1.00 0.00 C ATOM 891 SG CYS A 56 -4.311 -1.749 -1.639 1.00 0.00 S ATOM 0 H CYS A 56 -7.150 -4.862 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.174 -3.472 -0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.863 -4.038 -2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.849 -2.948 -3.028 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.311 -1.545 -0.355 1.00 0.00 H new ATOM 897 N ILE A 57 -7.432 -1.344 0.176 1.00 0.00 N ATOM 898 CA ILE A 57 -8.189 -0.112 0.345 1.00 0.00 C ATOM 899 C ILE A 57 -7.294 1.024 0.818 1.00 0.00 C ATOM 900 O ILE A 57 -6.205 0.794 1.344 1.00 0.00 O ATOM 901 CB ILE A 57 -9.332 -0.290 1.360 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.117 -1.561 1.044 1.00 0.00 C ATOM 903 CG2 ILE A 57 -10.242 0.933 1.352 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.401 -1.698 1.833 1.00 0.00 C ATOM 0 H ILE A 57 -6.932 -1.651 1.010 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.607 0.134 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.909 -0.388 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.352 -1.576 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.485 -2.426 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.046 0.793 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.664 1.818 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.667 1.064 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.902 -2.625 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.173 -1.715 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.054 -0.853 1.615 1.00 0.00 H new ATOM 916 N VAL A 58 -7.763 2.251 0.631 1.00 0.00 N ATOM 917 CA VAL A 58 -7.011 3.428 1.042 1.00 0.00 C ATOM 918 C VAL A 58 -7.949 4.494 1.606 1.00 0.00 C ATOM 919 O VAL A 58 -9.033 4.721 1.066 1.00 0.00 O ATOM 920 CB VAL A 58 -6.224 4.035 -0.141 1.00 0.00 C ATOM 921 CG1 VAL A 58 -5.331 5.171 0.337 1.00 0.00 C ATOM 922 CG2 VAL A 58 -5.409 2.968 -0.859 1.00 0.00 C ATOM 0 H VAL A 58 -8.663 2.457 0.196 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.308 3.108 1.811 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.942 4.442 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.785 5.586 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.944 5.950 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.623 4.792 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.865 3.422 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.701 2.520 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.077 2.197 -1.243 1.00 0.00 H new ATOM 932 N GLY A 59 -7.537 5.148 2.690 1.00 0.00 N ATOM 933 CA GLY A 59 -8.371 6.177 3.289 1.00 0.00 C ATOM 934 C GLY A 59 -7.629 7.015 4.311 1.00 0.00 C ATOM 935 O GLY A 59 -6.418 6.886 4.463 1.00 0.00 O ATOM 0 H GLY A 59 -6.647 4.985 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.757 6.827 2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.231 5.708 3.766 1.00 0.00 H new ATOM 939 N ARG A 60 -8.358 7.876 5.015 1.00 0.00 N ATOM 940 CA ARG A 60 -7.759 8.736 6.027 1.00 0.00 C ATOM 941 C ARG A 60 -8.143 8.274 7.428 1.00 0.00 C ATOM 942 O ARG A 60 -8.892 8.947 8.136 1.00 0.00 O ATOM 943 CB ARG A 60 -8.188 10.187 5.814 1.00 0.00 C ATOM 944 CG ARG A 60 -7.735 10.764 4.484 1.00 0.00 C ATOM 945 CD ARG A 60 -8.155 12.216 4.339 1.00 0.00 C ATOM 946 NE ARG A 60 -9.609 12.372 4.360 1.00 0.00 N ATOM 947 CZ ARG A 60 -10.419 11.903 3.414 1.00 0.00 C ATOM 948 NH1 ARG A 60 -9.923 11.292 2.345 1.00 0.00 N ATOM 949 NH2 ARG A 60 -11.731 12.058 3.530 1.00 0.00 N ATOM 0 H ARG A 60 -9.365 7.996 4.902 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.675 8.671 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.274 10.249 5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.786 10.799 6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.651 10.687 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.158 10.178 3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.716 12.802 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.761 12.615 3.404 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.027 12.870 5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.914 11.179 2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.551 10.935 1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.118 12.536 4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.353 11.699 2.806 1.00 0.00 H new ATOM 963 N SER A 61 -7.622 7.116 7.815 1.00 0.00 N ATOM 964 CA SER A 61 -7.898 6.540 9.131 1.00 0.00 C ATOM 965 C SER A 61 -9.387 6.602 9.457 1.00 0.00 C ATOM 966 O SER A 61 -9.779 6.988 10.559 1.00 0.00 O ATOM 967 CB SER A 61 -7.093 7.268 10.210 1.00 0.00 C ATOM 968 OG SER A 61 -5.701 7.163 9.966 1.00 0.00 O ATOM 0 H SER A 61 -7.002 6.552 7.234 1.00 0.00 H new ATOM 0 HA SER A 61 -7.597 5.493 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.382 8.319 10.237 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.327 6.848 11.188 1.00 0.00 H new ATOM 0 HG SER A 61 -5.209 7.638 10.668 1.00 0.00 H new ATOM 974 N GLY A 62 -10.209 6.215 8.490 1.00 0.00 N ATOM 975 CA GLY A 62 -11.647 6.230 8.690 1.00 0.00 C ATOM 976 C GLY A 62 -12.149 5.020 9.458 1.00 0.00 C ATOM 977 O GLY A 62 -13.354 4.863 9.656 1.00 0.00 O ATOM 0 H GLY A 62 -9.907 5.891 7.571 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.925 7.136 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.143 6.270 7.720 1.00 0.00 H new ATOM 981 N ASN A 63 -11.229 4.161 9.895 1.00 0.00 N ATOM 982 CA ASN A 63 -11.597 2.965 10.643 1.00 0.00 C ATOM 983 C ASN A 63 -12.492 2.062 9.797 1.00 0.00 C ATOM 984 O ASN A 63 -13.623 1.758 10.176 1.00 0.00 O ATOM 985 CB ASN A 63 -12.314 3.351 11.941 1.00 0.00 C ATOM 986 CG ASN A 63 -12.625 2.167 12.849 1.00 0.00 C ATOM 987 OD1 ASN A 63 -12.107 0.984 12.520 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -13.316 2.321 13.855 1.00 0.00 N flip ATOM 0 H ASN A 63 -10.227 4.273 9.743 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.687 2.419 10.893 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.696 4.064 12.488 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.245 3.861 11.693 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.697 3.241 14.076 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.508 1.529 14.468 1.00 0.00 H new ATOM 995 N PHE A 64 -11.980 1.647 8.642 1.00 0.00 N ATOM 996 CA PHE A 64 -12.732 0.790 7.736 1.00 0.00 C ATOM 997 C PHE A 64 -12.114 -0.603 7.633 1.00 0.00 C ATOM 998 O PHE A 64 -12.448 -1.373 6.733 1.00 0.00 O ATOM 999 CB PHE A 64 -12.812 1.437 6.349 1.00 0.00 C ATOM 1000 CG PHE A 64 -11.468 1.643 5.699 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -10.739 0.564 5.228 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.936 2.916 5.565 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -9.505 0.750 4.634 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.703 3.106 4.972 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.987 2.023 4.506 1.00 0.00 C ATOM 0 H PHE A 64 -11.046 1.892 8.313 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.737 0.676 8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -13.427 0.812 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -13.316 2.400 6.435 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -11.139 -0.434 5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.491 3.768 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.947 -0.100 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.299 4.103 4.873 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.023 2.171 4.042 1.00 0.00 H new ATOM 1015 N GLY A 65 -11.221 -0.928 8.563 1.00 0.00 N ATOM 1016 CA GLY A 65 -10.583 -2.231 8.550 1.00 0.00 C ATOM 1017 C GLY A 65 -10.921 -3.065 9.773 1.00 0.00 C ATOM 1018 O GLY A 65 -10.277 -4.081 10.031 1.00 0.00 O ATOM 0 H GLY A 65 -10.929 -0.314 9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.887 -2.770 7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.502 -2.101 8.492 1.00 0.00 H new ATOM 1022 N SER A 66 -11.932 -2.642 10.527 1.00 0.00 N ATOM 1023 CA SER A 66 -12.342 -3.364 11.723 1.00 0.00 C ATOM 1024 C SER A 66 -13.740 -3.953 11.559 1.00 0.00 C ATOM 1025 O SER A 66 -14.472 -4.116 12.535 1.00 0.00 O ATOM 1026 CB SER A 66 -12.305 -2.442 12.942 1.00 0.00 C ATOM 1027 OG SER A 66 -10.998 -1.933 13.156 1.00 0.00 O ATOM 0 H SER A 66 -12.480 -1.805 10.330 1.00 0.00 H new ATOM 0 HA SER A 66 -11.640 -4.184 11.874 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.002 -1.616 12.799 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.635 -2.988 13.826 1.00 0.00 H new ATOM 0 HG SER A 66 -10.996 -0.964 13.007 1.00 0.00 H new ATOM 1033 N TYR A 67 -14.102 -4.271 10.322 1.00 0.00 N ATOM 1034 CA TYR A 67 -15.416 -4.845 10.039 1.00 0.00 C ATOM 1035 C TYR A 67 -15.437 -5.568 8.693 1.00 0.00 C ATOM 1036 O TYR A 67 -16.157 -6.552 8.525 1.00 0.00 O ATOM 1037 CB TYR A 67 -16.485 -3.750 10.069 1.00 0.00 C ATOM 1038 CG TYR A 67 -17.899 -4.268 9.912 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -18.330 -4.835 8.718 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -18.804 -4.189 10.964 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -19.621 -5.308 8.579 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -20.096 -4.662 10.831 1.00 0.00 C ATOM 1043 CZ TYR A 67 -20.499 -5.220 9.638 1.00 0.00 C ATOM 1044 OH TYR A 67 -21.785 -5.692 9.503 1.00 0.00 O ATOM 0 H TYR A 67 -13.510 -4.143 9.502 1.00 0.00 H new ATOM 0 HA TYR A 67 -15.633 -5.581 10.813 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -16.410 -3.208 11.012 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -16.280 -3.034 9.273 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.645 -4.907 7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.493 -3.751 11.901 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -19.941 -5.745 7.644 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -20.786 -4.594 11.659 1.00 0.00 H new ATOM 0 HH TYR A 67 -22.273 -5.555 10.342 1.00 0.00 H new ATOM 1054 N VAL A 68 -14.650 -5.082 7.742 1.00 0.00 N ATOM 1055 CA VAL A 68 -14.584 -5.687 6.418 1.00 0.00 C ATOM 1056 C VAL A 68 -13.930 -7.069 6.468 1.00 0.00 C ATOM 1057 O VAL A 68 -13.944 -7.806 5.482 1.00 0.00 O ATOM 1058 CB VAL A 68 -13.803 -4.789 5.437 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -13.832 -5.369 4.031 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -14.363 -3.374 5.451 1.00 0.00 C ATOM 0 H VAL A 68 -14.047 -4.268 7.863 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.610 -5.796 6.066 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.763 -4.750 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.275 -4.718 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.378 -6.360 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.865 -5.445 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -13.801 -2.753 4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.412 -3.395 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.278 -2.959 6.455 1.00 0.00 H new ATOM 1070 N THR A 69 -13.363 -7.420 7.622 1.00 0.00 N ATOM 1071 CA THR A 69 -12.713 -8.713 7.799 1.00 0.00 C ATOM 1072 C THR A 69 -13.641 -9.849 7.419 1.00 0.00 C ATOM 1073 O THR A 69 -13.312 -10.679 6.572 1.00 0.00 O ATOM 1074 CB THR A 69 -12.256 -8.879 9.251 1.00 0.00 C ATOM 1075 OG1 THR A 69 -11.373 -7.834 9.620 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.546 -10.190 9.511 1.00 0.00 C ATOM 0 H THR A 69 -13.342 -6.823 8.449 1.00 0.00 H new ATOM 0 HA THR A 69 -11.845 -8.746 7.141 1.00 0.00 H new ATOM 0 HB THR A 69 -13.170 -8.856 9.845 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.093 -7.956 10.551 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.250 -10.242 10.559 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.216 -11.018 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.660 -10.255 8.880 1.00 0.00 H new ATOM 1084 N HIS A 70 -14.796 -9.893 8.059 1.00 0.00 N ATOM 1085 CA HIS A 70 -15.768 -10.948 7.796 1.00 0.00 C ATOM 1086 C HIS A 70 -15.122 -12.334 7.910 1.00 0.00 C ATOM 1087 O HIS A 70 -15.699 -13.325 7.466 1.00 0.00 O ATOM 1088 CB HIS A 70 -16.378 -10.775 6.403 1.00 0.00 C ATOM 1089 CG HIS A 70 -17.147 -9.502 6.238 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.723 -9.120 5.046 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -17.436 -8.522 7.126 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -18.333 -7.959 5.206 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -18.174 -7.575 6.460 1.00 0.00 N ATOM 0 H HIS A 70 -15.086 -9.214 8.763 1.00 0.00 H new ATOM 0 HA HIS A 70 -16.556 -10.871 8.545 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.581 -10.807 5.660 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -17.038 -11.618 6.198 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -17.141 -8.491 8.164 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -18.870 -7.416 4.442 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.540 -6.715 6.867 1.00 0.00 H new ATOM 1102 N GLU A 71 -13.918 -12.386 8.496 1.00 0.00 N ATOM 1103 CA GLU A 71 -13.174 -13.641 8.667 1.00 0.00 C ATOM 1104 C GLU A 71 -12.371 -13.965 7.412 1.00 0.00 C ATOM 1105 O GLU A 71 -12.283 -15.119 6.993 1.00 0.00 O ATOM 1106 CB GLU A 71 -14.107 -14.808 9.013 1.00 0.00 C ATOM 1107 CG GLU A 71 -14.995 -14.542 10.217 1.00 0.00 C ATOM 1108 CD GLU A 71 -15.907 -15.709 10.544 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -15.846 -16.731 9.827 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -16.684 -15.602 11.515 1.00 0.00 O ATOM 0 H GLU A 71 -13.435 -11.566 8.862 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.487 -13.502 9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.736 -15.027 8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.507 -15.697 9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.370 -14.322 11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.600 -13.656 10.027 1.00 0.00 H new ATOM 1117 N THR A 72 -11.790 -12.928 6.820 1.00 0.00 N ATOM 1118 CA THR A 72 -10.987 -13.064 5.613 1.00 0.00 C ATOM 1119 C THR A 72 -9.918 -14.148 5.768 1.00 0.00 C ATOM 1120 O THR A 72 -9.642 -14.894 4.830 1.00 0.00 O ATOM 1121 CB THR A 72 -10.331 -11.720 5.294 1.00 0.00 C ATOM 1122 OG1 THR A 72 -11.309 -10.704 5.169 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.525 -11.727 4.021 1.00 0.00 C ATOM 0 H THR A 72 -11.863 -11.970 7.164 1.00 0.00 H new ATOM 0 HA THR A 72 -11.641 -13.364 4.794 1.00 0.00 H new ATOM 0 HB THR A 72 -9.657 -11.529 6.129 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.183 -11.057 5.436 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.090 -10.741 3.860 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.728 -12.467 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.173 -11.979 3.182 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.316 -14.207 6.961 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.260 -15.168 7.288 1.00 0.00 C ATOM 1133 C LYS A 73 -6.894 -14.546 7.034 1.00 0.00 C ATOM 1134 O LYS A 73 -5.956 -14.728 7.809 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.404 -16.467 6.491 1.00 0.00 C ATOM 1136 CG LYS A 73 -7.504 -17.577 6.995 1.00 0.00 C ATOM 1137 CD LYS A 73 -7.800 -17.906 8.448 1.00 0.00 C ATOM 1138 CE LYS A 73 -6.909 -19.028 8.958 1.00 0.00 C ATOM 1139 NZ LYS A 73 -5.465 -18.675 8.869 1.00 0.00 N ATOM 0 H LYS A 73 -9.551 -13.583 7.733 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.356 -15.419 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.441 -16.800 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.176 -16.270 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.642 -18.468 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.461 -17.278 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.653 -17.017 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.846 -18.195 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.165 -19.252 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.098 -19.933 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.908 -19.348 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.158 -18.718 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.320 -17.712 9.235 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.813 -13.787 5.953 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.591 -13.092 5.569 1.00 0.00 C ATOM 1155 C HIS A 74 -5.885 -11.603 5.456 1.00 0.00 C ATOM 1156 O HIS A 74 -7.005 -11.228 5.121 1.00 0.00 O ATOM 1157 CB HIS A 74 -5.069 -13.619 4.229 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.630 -15.053 4.263 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -4.568 -15.941 5.282 1.00 0.00 N flip ATOM 1160 CD2 HIS A 74 -4.180 -15.724 3.145 1.00 0.00 C flip ATOM 1161 CE1 HIS A 74 -4.088 -17.119 4.768 1.00 0.00 C flip ATOM 1162 NE2 HIS A 74 -3.862 -16.964 3.477 1.00 0.00 N flip ATOM 0 H HIS A 74 -7.594 -13.634 5.315 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.827 -13.266 6.327 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.851 -13.507 3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -4.230 -13.001 3.910 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.100 -15.303 2.154 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.922 -18.027 5.329 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.503 -17.678 2.844 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.899 -10.751 5.739 1.00 0.00 N ATOM 1172 CA PHE A 75 -5.116 -9.305 5.659 1.00 0.00 C ATOM 1173 C PHE A 75 -3.942 -8.513 6.221 1.00 0.00 C ATOM 1174 O PHE A 75 -3.194 -9.001 7.067 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.395 -8.917 6.414 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.491 -9.527 7.785 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.558 -9.225 8.765 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.517 -10.408 8.092 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -5.647 -9.789 10.025 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.609 -10.975 9.349 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.674 -10.664 10.317 1.00 0.00 C ATOM 0 H PHE A 75 -3.959 -11.029 6.021 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.215 -9.057 4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.439 -7.832 6.504 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.261 -9.224 5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.752 -8.541 8.542 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.252 -10.654 7.340 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.914 -9.545 10.779 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.412 -11.661 9.574 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.746 -11.105 11.300 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.807 -7.275 5.755 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.745 -6.393 6.222 1.00 0.00 C ATOM 1193 C ILE A 76 -3.254 -4.975 6.437 1.00 0.00 C ATOM 1194 O ILE A 76 -4.218 -4.531 5.805 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.536 -6.370 5.265 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.527 -5.282 5.657 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.994 -6.185 3.828 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.133 -5.515 6.999 1.00 0.00 C ATOM 0 H ILE A 76 -4.421 -6.861 5.054 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.412 -6.801 7.176 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.031 -7.332 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.244 -5.221 4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.035 -4.318 5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.126 -6.171 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.651 -7.008 3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.534 -5.243 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.832 -4.705 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.628 -5.545 7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.671 -6.463 6.980 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.577 -4.284 7.340 1.00 0.00 N ATOM 1211 CA TYR A 77 -2.904 -2.906 7.698 1.00 0.00 C ATOM 1212 C TYR A 77 -1.627 -2.091 7.861 1.00 0.00 C ATOM 1213 O TYR A 77 -0.798 -2.392 8.719 1.00 0.00 O ATOM 1214 CB TYR A 77 -3.683 -2.863 9.019 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.964 -3.671 9.031 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -4.950 -5.047 8.837 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -6.189 -3.054 9.246 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -6.120 -5.781 8.853 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -7.363 -3.782 9.264 1.00 0.00 C ATOM 1220 CZ TYR A 77 -7.324 -5.143 9.067 1.00 0.00 C ATOM 1221 OH TYR A 77 -8.491 -5.871 9.084 1.00 0.00 O ATOM 0 H TYR A 77 -1.779 -4.663 7.851 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.516 -2.486 6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.035 -3.224 9.818 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.923 -1.825 9.249 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.009 -5.551 8.671 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.225 -1.986 9.402 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.092 -6.850 8.699 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.307 -3.285 9.432 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.215 -5.320 9.448 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.469 -1.051 7.049 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.285 -0.206 7.144 1.00 0.00 C ATOM 1233 C PHE A 78 -0.631 1.259 6.904 1.00 0.00 C ATOM 1234 O PHE A 78 -1.389 1.591 5.995 1.00 0.00 O ATOM 1235 CB PHE A 78 0.802 -0.679 6.171 1.00 0.00 C ATOM 1236 CG PHE A 78 0.404 -0.653 4.722 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.206 0.549 4.063 1.00 0.00 C ATOM 1238 CD2 PHE A 78 0.237 -1.836 4.020 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -0.150 0.569 2.727 1.00 0.00 C ATOM 1240 CE2 PHE A 78 -0.122 -1.821 2.686 1.00 0.00 C ATOM 1241 CZ PHE A 78 -0.314 -0.617 2.039 1.00 0.00 C ATOM 0 H PHE A 78 -2.136 -0.776 6.328 1.00 0.00 H new ATOM 0 HA PHE A 78 0.106 -0.292 8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.685 -0.053 6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.090 -1.696 6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.331 1.479 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.389 -2.780 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.300 1.512 2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.252 -2.750 2.150 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.592 -0.603 0.996 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.071 2.129 7.741 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.317 3.558 7.638 1.00 0.00 C ATOM 1253 C TYR A 79 0.666 4.210 6.677 1.00 0.00 C ATOM 1254 O TYR A 79 1.798 3.753 6.520 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.212 4.216 9.015 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.234 3.710 10.008 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -2.594 3.840 9.760 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -0.838 3.105 11.194 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -3.531 3.381 10.668 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -1.768 2.643 12.106 1.00 0.00 C ATOM 1261 CZ TYR A 79 -3.114 2.784 11.837 1.00 0.00 C ATOM 1262 OH TYR A 79 -4.043 2.325 12.742 1.00 0.00 O ATOM 0 H TYR A 79 0.558 1.864 8.499 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.326 3.700 7.251 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.787 4.044 9.415 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.329 5.294 8.903 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.925 4.307 8.844 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.215 2.994 11.407 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.585 3.490 10.461 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.443 2.175 13.023 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.855 2.052 12.267 1.00 0.00 H new ATOM 1272 N LEU A 80 0.221 5.281 6.039 1.00 0.00 N ATOM 1273 CA LEU A 80 1.051 6.007 5.090 1.00 0.00 C ATOM 1274 C LEU A 80 0.959 7.508 5.331 1.00 0.00 C ATOM 1275 O LEU A 80 0.235 8.214 4.630 1.00 0.00 O ATOM 1276 CB LEU A 80 0.623 5.681 3.656 1.00 0.00 C ATOM 1277 CG LEU A 80 1.424 6.394 2.563 1.00 0.00 C ATOM 1278 CD1 LEU A 80 2.895 6.015 2.640 1.00 0.00 C ATOM 1279 CD2 LEU A 80 0.856 6.064 1.189 1.00 0.00 C ATOM 0 H LEU A 80 -0.715 5.668 6.162 1.00 0.00 H new ATOM 0 HA LEU A 80 2.086 5.696 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.707 4.605 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.430 5.938 3.540 1.00 0.00 H new ATOM 0 HG LEU A 80 1.342 7.469 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.446 6.533 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.294 6.302 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.001 4.938 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.436 6.578 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.908 4.988 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.183 6.389 1.137 1.00 0.00 H new ATOM 1291 N GLY A 81 1.692 7.997 6.332 1.00 0.00 N ATOM 1292 CA GLY A 81 1.663 9.419 6.629 1.00 0.00 C ATOM 1293 C GLY A 81 0.253 9.957 6.792 1.00 0.00 C ATOM 1294 O GLY A 81 -0.214 10.742 5.968 1.00 0.00 O ATOM 0 H GLY A 81 2.298 7.440 6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.226 9.606 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.164 9.963 5.829 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.419 9.528 7.861 1.00 0.00 N ATOM 1299 CA GLN A 82 -1.790 9.950 8.165 1.00 0.00 C ATOM 1300 C GLN A 82 -2.817 9.110 7.415 1.00 0.00 C ATOM 1301 O GLN A 82 -3.977 9.035 7.824 1.00 0.00 O ATOM 1302 CB GLN A 82 -2.010 11.431 7.843 1.00 0.00 C ATOM 1303 CG GLN A 82 -1.015 12.360 8.518 1.00 0.00 C ATOM 1304 CD GLN A 82 -1.072 12.271 10.031 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -2.108 12.534 10.642 1.00 0.00 O ATOM 1306 NE2 GLN A 82 0.047 11.901 10.644 1.00 0.00 N ATOM 0 H GLN A 82 -0.029 8.877 8.543 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.928 9.799 9.236 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.949 11.571 6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.019 11.713 8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.008 12.116 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.214 13.386 8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.883 11.692 10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.070 11.825 11.661 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.404 8.479 6.321 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.317 7.657 5.544 1.00 0.00 C ATOM 1317 C VAL A 83 -3.361 6.244 6.103 1.00 0.00 C ATOM 1318 O VAL A 83 -2.394 5.766 6.695 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.914 7.590 4.057 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -4.059 7.058 3.208 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.453 8.952 3.555 1.00 0.00 C ATOM 0 H VAL A 83 -1.452 8.521 5.957 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.300 8.122 5.615 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.077 6.898 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.750 7.020 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.326 6.056 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.922 7.716 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.175 8.877 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.262 9.674 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.592 9.281 4.136 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.482 5.578 5.902 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.656 4.217 6.369 1.00 0.00 C ATOM 1333 C ALA A 84 -5.005 3.310 5.203 1.00 0.00 C ATOM 1334 O ALA A 84 -6.072 3.442 4.600 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.734 4.154 7.441 1.00 0.00 C ATOM 0 H ALA A 84 -5.292 5.962 5.414 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.720 3.874 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.851 3.125 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.446 4.783 8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.678 4.510 7.029 1.00 0.00 H new ATOM 1341 N ILE A 85 -4.102 2.396 4.876 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.327 1.483 3.771 1.00 0.00 C ATOM 1343 C ILE A 85 -4.457 0.055 4.247 1.00 0.00 C ATOM 1344 O ILE A 85 -3.775 -0.378 5.175 1.00 0.00 O ATOM 1345 CB ILE A 85 -3.211 1.582 2.708 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.470 2.788 1.815 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -3.129 0.308 1.871 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.444 2.965 0.717 1.00 0.00 C ATOM 0 H ILE A 85 -3.212 2.269 5.359 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.268 1.782 3.309 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.255 1.704 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.458 2.690 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.489 3.687 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.334 0.409 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.915 -0.541 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.079 0.145 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.695 3.844 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.456 3.096 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.441 2.083 0.077 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.340 -0.669 3.586 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.579 -2.063 3.915 1.00 0.00 C ATOM 1362 C LEU A 86 -5.415 -2.930 2.678 1.00 0.00 C ATOM 1363 O LEU A 86 -5.409 -2.429 1.556 1.00 0.00 O ATOM 1364 CB LEU A 86 -6.982 -2.240 4.494 1.00 0.00 C ATOM 1365 CG LEU A 86 -7.319 -1.327 5.673 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -8.702 -1.646 6.216 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -6.271 -1.456 6.767 1.00 0.00 C ATOM 0 H LEU A 86 -5.906 -0.314 2.815 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.849 -2.372 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.710 -2.067 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.098 -3.276 4.812 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.319 -0.296 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.925 -0.986 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.444 -1.498 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.731 -2.682 6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.529 -0.798 7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.237 -2.487 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.295 -1.175 6.371 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.279 -4.231 2.891 1.00 0.00 N ATOM 1380 CA LEU A 87 -5.115 -5.173 1.788 1.00 0.00 C ATOM 1381 C LEU A 87 -5.263 -6.597 2.313 1.00 0.00 C ATOM 1382 O LEU A 87 -4.518 -7.022 3.195 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.748 -4.972 1.126 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.532 -5.722 -0.191 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.204 -5.327 -0.814 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.587 -7.223 0.030 1.00 0.00 C ATOM 0 H LEU A 87 -5.279 -4.660 3.816 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.884 -4.996 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.606 -3.907 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.975 -5.281 1.830 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.334 -5.447 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.065 -5.869 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.199 -4.255 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.393 -5.573 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.431 -7.736 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.808 -7.516 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.562 -7.496 0.434 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.241 -7.325 1.783 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.487 -8.689 2.228 1.00 0.00 C ATOM 1400 C PHE A 88 -7.106 -9.542 1.123 1.00 0.00 C ATOM 1401 O PHE A 88 -7.398 -9.051 0.034 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.411 -8.667 3.448 1.00 0.00 C ATOM 1403 CG PHE A 88 -8.805 -8.184 3.150 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -9.680 -8.962 2.406 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -9.239 -6.951 3.610 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -10.958 -8.519 2.127 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -10.517 -6.504 3.334 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.377 -7.290 2.592 1.00 0.00 C ATOM 0 H PHE A 88 -6.870 -6.995 1.051 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.529 -9.137 2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.467 -9.672 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.971 -8.027 4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.358 -9.926 2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.571 -6.332 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.629 -9.134 1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.843 -5.541 3.698 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.377 -6.943 2.376 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.313 -10.822 1.424 1.00 0.00 N ATOM 1419 CA LYS A 89 -7.906 -11.763 0.486 1.00 0.00 C ATOM 1420 C LYS A 89 -9.072 -12.500 1.142 1.00 0.00 C ATOM 1421 O LYS A 89 -8.871 -13.428 1.925 1.00 0.00 O ATOM 1422 CB LYS A 89 -6.843 -12.762 0.019 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.397 -13.985 -0.686 1.00 0.00 C ATOM 1424 CD LYS A 89 -7.895 -13.617 -2.061 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.740 -13.233 -2.973 1.00 0.00 C ATOM 1426 NZ LYS A 89 -5.723 -14.315 -3.066 1.00 0.00 N ATOM 0 H LYS A 89 -7.073 -11.233 2.326 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.285 -11.216 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.153 -12.252 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.264 -13.087 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.624 -14.749 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.210 -14.414 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.440 -14.457 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.597 -12.786 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.123 -13.008 -3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.269 -12.324 -2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.347 -14.356 -4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.947 -14.120 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.163 -15.226 -2.826 1.00 0.00 H new ATOM 1440 N SER A 90 -10.288 -12.080 0.819 1.00 0.00 N ATOM 1441 CA SER A 90 -11.487 -12.697 1.377 1.00 0.00 C ATOM 1442 C SER A 90 -12.025 -13.786 0.458 1.00 0.00 C ATOM 1443 O SER A 90 -13.227 -14.051 0.427 1.00 0.00 O ATOM 1444 CB SER A 90 -12.564 -11.645 1.611 1.00 0.00 C ATOM 1445 OG SER A 90 -12.934 -11.011 0.399 1.00 0.00 O ATOM 0 H SER A 90 -10.472 -11.313 0.172 1.00 0.00 H new ATOM 0 HA SER A 90 -11.214 -13.153 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.440 -12.112 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.200 -10.899 2.318 1.00 0.00 H new ATOM 0 HG SER A 90 -12.158 -10.544 0.024 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.127 -14.407 -0.286 1.00 0.00 N ATOM 1452 CA GLY A 91 -11.519 -15.463 -1.201 1.00 0.00 C ATOM 1453 C GLY A 91 -10.705 -15.455 -2.480 1.00 0.00 C ATOM 1454 O GLY A 91 -10.740 -14.434 -3.198 1.00 0.00 O ATOM 1455 OXT GLY A 91 -10.032 -16.467 -2.762 1.00 0.00 O ATOM 0 H GLY A 91 -10.128 -14.200 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.405 -16.428 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.575 -15.354 -1.446 1.00 0.00 H new TER 1459 GLY A 91