USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 849 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 22 TYR OH : rot 40:sc= 0.199 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -0.2 X(o=-0.0013,f=0.065) USER MOD Set 2.1: A 48 THR OG1 : rot 49:sc= 0.825 USER MOD Set 2.2: A 53 ASN :FLIP amide:sc= 0.617 F(o=0.28!,f=1.4) USER MOD Set 3.1: A 1 GLN : amide:sc= 0.751 K(o=2,f=-13!) USER MOD Set 3.2: A 23 LYS NZ :NH3+ 163:sc= 1.28 (180deg=0) USER MOD Single : A 1 GLN N :NH3+ -158:sc= 1.22 (180deg=1.12) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.66! C(o=-1.7!,f=-3.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -1.78 F(o=-2.3!,f=-1.8) USER MOD Single : A 33 SER OG : rot 180:sc= -0.122 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 90:sc= 0.537 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 63 LYS NZ :NH3+ -109:sc= 0.168 (180deg=-0.0276) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 77 MET CE :methyl 160:sc= -0.842 (180deg=-1.92!) USER MOD Single : A 78 SER OG : rot -170:sc= -0.166 USER MOD Single : A 81 MET CE :methyl -156:sc= -0.593 (180deg=-1.53) USER MOD Single : A 84 MET CE :methyl -148:sc= -3.56! (180deg=-4.33!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 160:sc= -0.068 (180deg=-0.407) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 2.35 (180deg=2.24) USER MOD Single : A 92 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0392) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.539 K(o=-0.54,f=-1.8) USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= 1.21 (180deg=-0.356) USER MOD Single : A 102 TYR OH : rot -127:sc= 0.226 USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 0.699 (180deg=0.672) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.474 4.791 12.308 1.00 0.00 N ATOM 2 CA GLN A 1 -9.463 4.220 11.391 1.00 0.00 C ATOM 3 C GLN A 1 -8.394 5.262 11.109 1.00 0.00 C ATOM 4 O GLN A 1 -8.634 6.241 10.401 1.00 0.00 O ATOM 5 CB GLN A 1 -10.119 3.751 10.090 1.00 0.00 C ATOM 6 CG GLN A 1 -11.126 2.632 10.298 1.00 0.00 C ATOM 7 CD GLN A 1 -10.526 1.445 11.027 1.00 0.00 C ATOM 8 OE1 GLN A 1 -9.334 1.163 10.899 1.00 0.00 O ATOM 9 NE2 GLN A 1 -11.341 0.752 11.806 1.00 0.00 N ATOM 0 H1 GLN A 1 -10.978 4.021 12.792 1.00 0.00 H new ATOM 0 H2 GLN A 1 -10.003 5.393 13.013 1.00 0.00 H new ATOM 0 H3 GLN A 1 -11.153 5.361 11.764 1.00 0.00 H new ATOM 0 HA GLN A 1 -9.000 3.353 11.862 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.618 4.597 9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -9.345 3.411 9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -11.976 3.012 10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.508 2.306 9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -12.322 1.020 11.884 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -10.988 -0.050 12.329 1.00 0.00 H new ATOM 20 N GLU A 2 -7.208 5.036 11.647 1.00 0.00 N ATOM 21 CA GLU A 2 -6.188 6.066 11.712 1.00 0.00 C ATOM 22 C GLU A 2 -4.845 5.440 12.032 1.00 0.00 C ATOM 23 O GLU A 2 -4.786 4.369 12.625 1.00 0.00 O ATOM 24 CB GLU A 2 -6.552 7.113 12.780 1.00 0.00 C ATOM 25 CG GLU A 2 -6.678 6.562 14.204 1.00 0.00 C ATOM 26 CD GLU A 2 -7.816 5.568 14.371 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.993 5.986 14.358 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.540 4.358 14.492 1.00 0.00 O ATOM 0 H GLU A 2 -6.927 4.141 12.048 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.128 6.564 10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.794 7.896 12.774 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.496 7.582 12.502 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.741 6.080 14.483 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.827 7.392 14.894 1.00 0.00 H new ATOM 35 N ALA A 3 -3.778 6.094 11.619 1.00 0.00 N ATOM 36 CA ALA A 3 -2.439 5.628 11.925 1.00 0.00 C ATOM 37 C ALA A 3 -1.671 6.687 12.697 1.00 0.00 C ATOM 38 O ALA A 3 -0.498 6.507 13.017 1.00 0.00 O ATOM 39 CB ALA A 3 -1.701 5.252 10.654 1.00 0.00 C ATOM 0 H ALA A 3 -3.812 6.952 11.069 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.519 4.738 12.549 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.699 4.905 10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.242 4.457 10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.631 6.123 10.003 1.00 0.00 H new ATOM 45 N GLY A 4 -2.341 7.796 12.986 1.00 0.00 N ATOM 46 CA GLY A 4 -1.739 8.842 13.790 1.00 0.00 C ATOM 47 C GLY A 4 -1.471 8.370 15.202 1.00 0.00 C ATOM 48 O GLY A 4 -2.394 8.215 16.001 1.00 0.00 O ATOM 0 H GLY A 4 -3.293 7.990 12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.805 9.165 13.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.399 9.709 13.814 1.00 0.00 H new ATOM 52 N GLY A 5 -0.208 8.127 15.506 1.00 0.00 N ATOM 53 CA GLY A 5 0.150 7.579 16.796 1.00 0.00 C ATOM 54 C GLY A 5 0.542 6.122 16.689 1.00 0.00 C ATOM 55 O GLY A 5 1.092 5.544 17.626 1.00 0.00 O ATOM 0 H GLY A 5 0.579 8.300 14.881 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.977 8.150 17.218 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.691 7.681 17.482 1.00 0.00 H new ATOM 59 N ARG A 6 0.259 5.530 15.539 1.00 0.00 N ATOM 60 CA ARG A 6 0.623 4.145 15.276 1.00 0.00 C ATOM 61 C ARG A 6 1.928 4.104 14.485 1.00 0.00 C ATOM 62 O ARG A 6 2.367 5.122 13.948 1.00 0.00 O ATOM 63 CB ARG A 6 -0.475 3.432 14.474 1.00 0.00 C ATOM 64 CG ARG A 6 -1.857 3.477 15.102 1.00 0.00 C ATOM 65 CD ARG A 6 -2.783 2.468 14.438 1.00 0.00 C ATOM 66 NE ARG A 6 -4.194 2.754 14.685 1.00 0.00 N ATOM 67 CZ ARG A 6 -5.002 1.981 15.410 1.00 0.00 C ATOM 68 NH1 ARG A 6 -4.537 0.884 15.998 1.00 0.00 N ATOM 69 NH2 ARG A 6 -6.276 2.311 15.556 1.00 0.00 N ATOM 0 H ARG A 6 -0.225 5.990 14.768 1.00 0.00 H new ATOM 0 HA ARG A 6 0.746 3.634 16.231 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.528 3.879 13.481 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.187 2.389 14.339 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.784 3.264 16.169 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.274 4.479 15.005 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.599 2.464 13.364 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.549 1.469 14.805 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.587 3.602 14.275 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.555 0.628 15.896 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.162 0.298 16.551 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.638 3.156 15.114 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.896 1.720 16.111 1.00 0.00 H new ATOM 83 N PRO A 7 2.572 2.931 14.395 1.00 0.00 N ATOM 84 CA PRO A 7 3.768 2.751 13.597 1.00 0.00 C ATOM 85 C PRO A 7 3.391 2.431 12.161 1.00 0.00 C ATOM 86 O PRO A 7 3.492 1.286 11.722 1.00 0.00 O ATOM 87 CB PRO A 7 4.475 1.556 14.256 1.00 0.00 C ATOM 88 CG PRO A 7 3.522 1.018 15.284 1.00 0.00 C ATOM 89 CD PRO A 7 2.194 1.677 15.040 1.00 0.00 C ATOM 0 HA PRO A 7 4.399 3.639 13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.721 0.794 13.517 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.412 1.865 14.719 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.436 -0.065 15.200 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.880 1.233 16.291 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.552 1.070 14.401 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.650 1.847 15.969 1.00 0.00 H new ATOM 97 N GLY A 8 2.915 3.440 11.444 1.00 0.00 N ATOM 98 CA GLY A 8 2.453 3.215 10.098 1.00 0.00 C ATOM 99 C GLY A 8 3.588 3.115 9.110 1.00 0.00 C ATOM 100 O GLY A 8 3.564 2.281 8.207 1.00 0.00 O ATOM 0 H GLY A 8 2.843 4.403 11.772 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.866 2.297 10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.789 4.028 9.804 1.00 0.00 H new ATOM 104 N ALA A 9 4.590 3.964 9.298 1.00 0.00 N ATOM 105 CA ALA A 9 5.716 4.046 8.385 1.00 0.00 C ATOM 106 C ALA A 9 6.777 4.990 8.936 1.00 0.00 C ATOM 107 O ALA A 9 7.657 4.578 9.691 1.00 0.00 O ATOM 108 CB ALA A 9 5.251 4.509 7.015 1.00 0.00 C ATOM 0 H ALA A 9 4.643 4.611 10.085 1.00 0.00 H new ATOM 0 HA ALA A 9 6.156 3.054 8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.106 4.566 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.523 3.801 6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.790 5.493 7.101 1.00 0.00 H new ATOM 114 N ASP A 10 6.662 6.263 8.581 1.00 0.00 N ATOM 115 CA ASP A 10 7.556 7.295 9.091 1.00 0.00 C ATOM 116 C ASP A 10 6.833 8.630 9.091 1.00 0.00 C ATOM 117 O ASP A 10 6.450 9.142 10.142 1.00 0.00 O ATOM 118 CB ASP A 10 8.837 7.381 8.254 1.00 0.00 C ATOM 119 CG ASP A 10 9.808 8.417 8.791 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.288 8.255 9.934 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.111 9.389 8.069 1.00 0.00 O ATOM 0 H ASP A 10 5.951 6.608 7.936 1.00 0.00 H new ATOM 0 HA ASP A 10 7.845 7.036 10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.323 6.406 8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.579 7.627 7.224 1.00 0.00 H new ATOM 126 N CYS A 11 6.624 9.178 7.904 1.00 0.00 N ATOM 127 CA CYS A 11 5.839 10.390 7.753 1.00 0.00 C ATOM 128 C CYS A 11 4.358 10.027 7.766 1.00 0.00 C ATOM 129 O CYS A 11 3.977 8.962 7.282 1.00 0.00 O ATOM 130 CB CYS A 11 6.201 11.091 6.446 1.00 0.00 C ATOM 131 SG CYS A 11 7.913 10.790 5.902 1.00 0.00 S ATOM 0 H CYS A 11 6.989 8.800 7.030 1.00 0.00 H new ATOM 0 HA CYS A 11 6.053 11.070 8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.517 10.759 5.665 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.051 12.164 6.566 1.00 0.00 H new ATOM 136 N GLU A 12 3.544 10.921 8.312 1.00 0.00 N ATOM 137 CA GLU A 12 2.126 10.663 8.579 1.00 0.00 C ATOM 138 C GLU A 12 1.379 10.019 7.408 1.00 0.00 C ATOM 139 O GLU A 12 0.798 8.959 7.570 1.00 0.00 O ATOM 140 CB GLU A 12 1.444 11.976 8.959 1.00 0.00 C ATOM 141 CG GLU A 12 -0.040 11.834 9.253 1.00 0.00 C ATOM 142 CD GLU A 12 -0.635 13.095 9.836 1.00 0.00 C ATOM 143 OE1 GLU A 12 -0.754 14.094 9.105 1.00 0.00 O ATOM 144 OE2 GLU A 12 -0.969 13.093 11.041 1.00 0.00 O ATOM 0 H GLU A 12 3.847 11.855 8.586 1.00 0.00 H new ATOM 0 HA GLU A 12 2.087 9.943 9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.940 12.392 9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.577 12.692 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.567 11.578 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.193 11.008 9.948 1.00 0.00 H new ATOM 151 N VAL A 13 1.389 10.651 6.240 1.00 0.00 N ATOM 152 CA VAL A 13 0.573 10.175 5.118 1.00 0.00 C ATOM 153 C VAL A 13 0.965 8.759 4.693 1.00 0.00 C ATOM 154 O VAL A 13 0.109 7.878 4.590 1.00 0.00 O ATOM 155 CB VAL A 13 0.653 11.131 3.911 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.213 10.634 2.764 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.229 12.527 4.327 1.00 0.00 C ATOM 0 H VAL A 13 1.944 11.484 6.042 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.458 10.153 5.471 1.00 0.00 H new ATOM 0 HB VAL A 13 1.686 11.162 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.139 11.326 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.129 9.647 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.251 10.572 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.288 13.196 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.796 12.501 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.890 12.888 5.115 1.00 0.00 H new ATOM 167 N CYS A 14 2.254 8.536 4.465 1.00 0.00 N ATOM 168 CA CYS A 14 2.747 7.204 4.123 1.00 0.00 C ATOM 169 C CYS A 14 2.438 6.227 5.258 1.00 0.00 C ATOM 170 O CYS A 14 2.140 5.053 5.034 1.00 0.00 O ATOM 171 CB CYS A 14 4.256 7.252 3.851 1.00 0.00 C ATOM 172 SG CYS A 14 4.988 5.660 3.351 1.00 0.00 S ATOM 0 H CYS A 14 2.975 9.256 4.510 1.00 0.00 H new ATOM 0 HA CYS A 14 2.245 6.860 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.448 7.987 3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.763 7.604 4.750 1.00 0.00 H new ATOM 177 N LYS A 15 2.481 6.746 6.478 1.00 0.00 N ATOM 178 CA LYS A 15 2.190 5.973 7.675 1.00 0.00 C ATOM 179 C LYS A 15 0.718 5.560 7.725 1.00 0.00 C ATOM 180 O LYS A 15 0.402 4.392 7.955 1.00 0.00 O ATOM 181 CB LYS A 15 2.584 6.804 8.906 1.00 0.00 C ATOM 182 CG LYS A 15 1.862 6.446 10.193 1.00 0.00 C ATOM 183 CD LYS A 15 2.355 7.295 11.354 1.00 0.00 C ATOM 184 CE LYS A 15 3.810 6.998 11.687 1.00 0.00 C ATOM 185 NZ LYS A 15 4.349 7.941 12.703 1.00 0.00 N ATOM 0 H LYS A 15 2.720 7.720 6.664 1.00 0.00 H new ATOM 0 HA LYS A 15 2.771 5.051 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.656 6.695 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.400 7.856 8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.789 6.590 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.017 5.391 10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.246 8.351 11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.735 7.108 12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.897 5.977 12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.410 7.060 10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.342 7.706 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.290 8.914 12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.792 7.864 13.578 1.00 0.00 H new ATOM 199 N GLU A 16 -0.167 6.523 7.501 1.00 0.00 N ATOM 200 CA GLU A 16 -1.605 6.279 7.502 1.00 0.00 C ATOM 201 C GLU A 16 -1.974 5.218 6.479 1.00 0.00 C ATOM 202 O GLU A 16 -2.774 4.323 6.762 1.00 0.00 O ATOM 203 CB GLU A 16 -2.371 7.571 7.201 1.00 0.00 C ATOM 204 CG GLU A 16 -2.263 8.623 8.294 1.00 0.00 C ATOM 205 CD GLU A 16 -3.571 8.842 9.029 1.00 0.00 C ATOM 206 OE1 GLU A 16 -4.423 9.601 8.522 1.00 0.00 O ATOM 207 OE2 GLU A 16 -3.749 8.271 10.125 1.00 0.00 O ATOM 0 H GLU A 16 0.090 7.492 7.314 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.882 5.923 8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.999 7.993 6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.423 7.330 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.496 8.322 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.936 9.565 7.854 1.00 0.00 H new ATOM 214 N PHE A 17 -1.376 5.309 5.299 1.00 0.00 N ATOM 215 CA PHE A 17 -1.700 4.394 4.220 1.00 0.00 C ATOM 216 C PHE A 17 -1.269 2.969 4.556 1.00 0.00 C ATOM 217 O PHE A 17 -2.102 2.068 4.581 1.00 0.00 O ATOM 218 CB PHE A 17 -1.043 4.844 2.911 1.00 0.00 C ATOM 219 CG PHE A 17 -1.510 4.079 1.699 1.00 0.00 C ATOM 220 CD1 PHE A 17 -1.028 2.806 1.432 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.435 4.635 0.827 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.455 2.105 0.322 1.00 0.00 C ATOM 223 CE2 PHE A 17 -2.865 3.937 -0.287 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.375 2.669 -0.537 1.00 0.00 C ATOM 0 H PHE A 17 -0.667 6.005 5.068 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.783 4.405 4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.246 5.904 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.038 4.736 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.309 2.357 2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.824 5.624 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.069 1.116 0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.582 4.382 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.712 2.120 -1.404 1.00 0.00 H new ATOM 234 N LEU A 18 0.017 2.762 4.850 1.00 0.00 N ATOM 235 CA LEU A 18 0.529 1.415 5.032 1.00 0.00 C ATOM 236 C LEU A 18 -0.059 0.768 6.275 1.00 0.00 C ATOM 237 O LEU A 18 -0.395 -0.408 6.254 1.00 0.00 O ATOM 238 CB LEU A 18 2.061 1.414 5.108 1.00 0.00 C ATOM 239 CG LEU A 18 2.786 2.004 3.895 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.284 2.056 4.147 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.494 1.190 2.644 1.00 0.00 C ATOM 0 H LEU A 18 0.709 3.503 4.964 1.00 0.00 H new ATOM 0 HA LEU A 18 0.226 0.829 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.363 1.971 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.399 0.387 5.246 1.00 0.00 H new ATOM 0 HG LEU A 18 2.419 3.019 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.785 2.478 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.485 2.679 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.658 1.048 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.019 1.627 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.832 0.164 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.422 1.195 2.449 1.00 0.00 H new ATOM 253 N ASN A 19 -0.214 1.543 7.344 1.00 0.00 N ATOM 254 CA ASN A 19 -0.701 1.000 8.609 1.00 0.00 C ATOM 255 C ASN A 19 -2.165 0.582 8.514 1.00 0.00 C ATOM 256 O ASN A 19 -2.502 -0.569 8.786 1.00 0.00 O ATOM 257 CB ASN A 19 -0.533 2.020 9.733 1.00 0.00 C ATOM 258 CG ASN A 19 -0.960 1.478 11.083 1.00 0.00 C ATOM 259 OD1 ASN A 19 -2.118 1.605 11.476 1.00 0.00 O ATOM 260 ND2 ASN A 19 -0.025 0.876 11.803 1.00 0.00 N ATOM 0 H ASN A 19 -0.011 2.542 7.361 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.105 0.115 8.831 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.511 2.330 9.784 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.119 2.910 9.501 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.254 0.496 12.722 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.924 0.792 11.439 1.00 0.00 H new ATOM 267 N ARG A 20 -3.032 1.511 8.121 1.00 0.00 N ATOM 268 CA ARG A 20 -4.456 1.228 8.029 1.00 0.00 C ATOM 269 C ARG A 20 -4.747 0.170 6.968 1.00 0.00 C ATOM 270 O ARG A 20 -5.668 -0.627 7.124 1.00 0.00 O ATOM 271 CB ARG A 20 -5.236 2.512 7.754 1.00 0.00 C ATOM 272 CG ARG A 20 -4.984 3.579 8.805 1.00 0.00 C ATOM 273 CD ARG A 20 -5.943 4.748 8.682 1.00 0.00 C ATOM 274 NE ARG A 20 -5.760 5.519 7.454 1.00 0.00 N ATOM 275 CZ ARG A 20 -6.378 6.679 7.216 1.00 0.00 C ATOM 276 NH1 ARG A 20 -7.246 7.164 8.099 1.00 0.00 N ATOM 277 NH2 ARG A 20 -6.142 7.349 6.100 1.00 0.00 N ATOM 0 H ARG A 20 -2.772 2.463 7.862 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.783 0.824 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.959 2.899 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.302 2.286 7.718 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.078 3.138 9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.960 3.941 8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.966 4.375 8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.813 5.408 9.540 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.128 5.153 6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.440 6.650 8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.718 8.050 7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.484 6.980 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.618 8.234 5.926 1.00 0.00 H new ATOM 291 N PHE A 21 -3.953 0.156 5.905 1.00 0.00 N ATOM 292 CA PHE A 21 -4.052 -0.883 4.881 1.00 0.00 C ATOM 293 C PHE A 21 -3.701 -2.232 5.487 1.00 0.00 C ATOM 294 O PHE A 21 -4.412 -3.225 5.325 1.00 0.00 O ATOM 295 CB PHE A 21 -3.080 -0.559 3.747 1.00 0.00 C ATOM 296 CG PHE A 21 -3.057 -1.556 2.627 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.197 -1.822 1.893 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.882 -2.214 2.298 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.168 -2.724 0.849 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.849 -3.119 1.257 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.994 -3.373 0.531 1.00 0.00 C ATOM 0 H PHE A 21 -3.230 0.853 5.727 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.070 -0.921 4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.336 0.418 3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.075 -0.478 4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.120 -1.319 2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.983 -2.016 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.065 -2.922 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.928 -3.627 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.971 -4.079 -0.286 1.00 0.00 H new ATOM 311 N TYR A 22 -2.603 -2.214 6.210 1.00 0.00 N ATOM 312 CA TYR A 22 -2.031 -3.384 6.844 1.00 0.00 C ATOM 313 C TYR A 22 -3.015 -4.050 7.801 1.00 0.00 C ATOM 314 O TYR A 22 -3.337 -5.230 7.659 1.00 0.00 O ATOM 315 CB TYR A 22 -0.791 -2.915 7.589 1.00 0.00 C ATOM 316 CG TYR A 22 0.036 -3.993 8.216 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.637 -4.959 7.431 1.00 0.00 C ATOM 318 CD2 TYR A 22 0.256 -4.018 9.585 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.435 -5.922 7.991 1.00 0.00 C ATOM 320 CE2 TYR A 22 1.049 -4.986 10.155 1.00 0.00 C ATOM 321 CZ TYR A 22 1.637 -5.933 9.352 1.00 0.00 C ATOM 322 OH TYR A 22 2.452 -6.884 9.900 1.00 0.00 O ATOM 0 H TYR A 22 -2.068 -1.362 6.378 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.783 -4.135 6.094 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.162 -2.357 6.895 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.100 -2.219 8.369 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.476 -4.955 6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.202 -3.267 10.212 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.903 -6.669 7.367 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.208 -5.002 11.223 1.00 0.00 H new ATOM 0 HH TYR A 22 3.231 -7.020 9.321 1.00 0.00 H new ATOM 332 N LYS A 23 -3.515 -3.282 8.759 1.00 0.00 N ATOM 333 CA LYS A 23 -4.404 -3.826 9.775 1.00 0.00 C ATOM 334 C LYS A 23 -5.774 -4.161 9.190 1.00 0.00 C ATOM 335 O LYS A 23 -6.466 -5.049 9.688 1.00 0.00 O ATOM 336 CB LYS A 23 -4.513 -2.861 10.964 1.00 0.00 C ATOM 337 CG LYS A 23 -4.883 -1.428 10.598 1.00 0.00 C ATOM 338 CD LYS A 23 -6.384 -1.234 10.470 1.00 0.00 C ATOM 339 CE LYS A 23 -7.086 -1.474 11.795 1.00 0.00 C ATOM 340 NZ LYS A 23 -8.553 -1.285 11.688 1.00 0.00 N ATOM 0 H LYS A 23 -3.321 -2.285 8.854 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.978 -4.760 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.259 -3.247 11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.560 -2.851 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.495 -0.750 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.403 -1.160 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.594 -0.222 10.123 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.778 -1.917 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.875 -2.487 12.139 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.686 -0.792 12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.020 -1.726 12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.772 -0.268 11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.897 -1.728 10.812 1.00 0.00 H new ATOM 354 N SER A 24 -6.149 -3.459 8.126 1.00 0.00 N ATOM 355 CA SER A 24 -7.400 -3.738 7.431 1.00 0.00 C ATOM 356 C SER A 24 -7.345 -5.115 6.781 1.00 0.00 C ATOM 357 O SER A 24 -8.264 -5.917 6.923 1.00 0.00 O ATOM 358 CB SER A 24 -7.676 -2.668 6.368 1.00 0.00 C ATOM 359 OG SER A 24 -8.877 -2.938 5.665 1.00 0.00 O ATOM 0 H SER A 24 -5.605 -2.694 7.727 1.00 0.00 H new ATOM 0 HA SER A 24 -8.210 -3.722 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.742 -1.689 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.843 -2.626 5.666 1.00 0.00 H new ATOM 0 HG SER A 24 -9.028 -2.239 4.995 1.00 0.00 H new ATOM 365 N LEU A 25 -6.251 -5.383 6.083 1.00 0.00 N ATOM 366 CA LEU A 25 -6.059 -6.653 5.391 1.00 0.00 C ATOM 367 C LEU A 25 -6.090 -7.825 6.355 1.00 0.00 C ATOM 368 O LEU A 25 -6.788 -8.812 6.124 1.00 0.00 O ATOM 369 CB LEU A 25 -4.736 -6.627 4.637 1.00 0.00 C ATOM 370 CG LEU A 25 -4.860 -6.350 3.144 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.968 -5.340 2.869 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.529 -5.867 2.600 1.00 0.00 C ATOM 0 H LEU A 25 -5.474 -4.731 5.979 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.880 -6.785 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.095 -5.866 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.236 -7.586 4.775 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.128 -7.275 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.037 -5.159 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.917 -5.733 3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.743 -4.405 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.622 -5.670 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.237 -4.951 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.770 -6.632 2.763 1.00 0.00 H new ATOM 384 N ILE A 26 -5.342 -7.706 7.440 1.00 0.00 N ATOM 385 CA ILE A 26 -5.281 -8.764 8.436 1.00 0.00 C ATOM 386 C ILE A 26 -6.656 -9.000 9.058 1.00 0.00 C ATOM 387 O ILE A 26 -7.104 -10.139 9.180 1.00 0.00 O ATOM 388 CB ILE A 26 -4.265 -8.436 9.555 1.00 0.00 C ATOM 389 CG1 ILE A 26 -2.895 -8.089 8.961 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.147 -9.601 10.529 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.292 -9.188 8.110 1.00 0.00 C ATOM 0 H ILE A 26 -4.770 -6.889 7.653 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.953 -9.668 7.923 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.629 -7.566 10.101 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.991 -7.188 8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.207 -7.855 9.774 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.428 -9.352 11.309 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.119 -9.797 10.981 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.809 -10.489 9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.324 -8.863 7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.161 -10.086 8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.957 -9.407 7.274 1.00 0.00 H new ATOM 403 N ASP A 27 -7.337 -7.915 9.417 1.00 0.00 N ATOM 404 CA ASP A 27 -8.640 -8.015 10.070 1.00 0.00 C ATOM 405 C ASP A 27 -9.711 -8.501 9.101 1.00 0.00 C ATOM 406 O ASP A 27 -10.585 -9.279 9.474 1.00 0.00 O ATOM 407 CB ASP A 27 -9.054 -6.669 10.672 1.00 0.00 C ATOM 408 CG ASP A 27 -10.406 -6.735 11.361 1.00 0.00 C ATOM 409 OD1 ASP A 27 -10.504 -7.363 12.436 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.379 -6.157 10.833 1.00 0.00 O ATOM 0 H ASP A 27 -7.011 -6.960 9.268 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.545 -8.746 10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.299 -6.347 11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.087 -5.916 9.884 1.00 0.00 H new ATOM 415 N ARG A 28 -9.643 -8.048 7.854 1.00 0.00 N ATOM 416 CA ARG A 28 -10.614 -8.458 6.846 1.00 0.00 C ATOM 417 C ARG A 28 -10.341 -9.870 6.341 1.00 0.00 C ATOM 418 O ARG A 28 -11.183 -10.478 5.679 1.00 0.00 O ATOM 419 CB ARG A 28 -10.668 -7.480 5.671 1.00 0.00 C ATOM 420 CG ARG A 28 -11.439 -6.208 5.974 1.00 0.00 C ATOM 421 CD ARG A 28 -11.805 -5.461 4.701 1.00 0.00 C ATOM 422 NE ARG A 28 -10.638 -4.906 4.014 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.716 -4.166 2.906 1.00 0.00 C ATOM 424 NH1 ARG A 28 -11.883 -4.002 2.292 1.00 0.00 N ATOM 425 NH2 ARG A 28 -9.623 -3.612 2.396 1.00 0.00 N ATOM 0 H ARG A 28 -8.930 -7.400 7.518 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.587 -8.451 7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.651 -7.218 5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.126 -7.977 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.346 -6.454 6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.840 -5.563 6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.330 -6.137 4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.496 -4.654 4.945 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.714 -5.095 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.723 -4.442 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.939 -3.436 1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.721 -3.751 2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.685 -3.047 1.549 1.00 0.00 H new ATOM 439 N GLY A 29 -9.158 -10.383 6.655 1.00 0.00 N ATOM 440 CA GLY A 29 -8.775 -11.704 6.200 1.00 0.00 C ATOM 441 C GLY A 29 -8.475 -11.709 4.720 1.00 0.00 C ATOM 442 O GLY A 29 -8.812 -12.650 4.003 1.00 0.00 O ATOM 0 H GLY A 29 -8.455 -9.905 7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.898 -12.041 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.577 -12.411 6.413 1.00 0.00 H new ATOM 446 N VAL A 30 -7.847 -10.639 4.268 1.00 0.00 N ATOM 447 CA VAL A 30 -7.555 -10.446 2.868 1.00 0.00 C ATOM 448 C VAL A 30 -6.059 -10.200 2.674 1.00 0.00 C ATOM 449 O VAL A 30 -5.586 -9.077 2.784 1.00 0.00 O ATOM 450 CB VAL A 30 -8.399 -9.271 2.305 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.383 -8.077 3.246 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.905 -8.855 0.941 1.00 0.00 C ATOM 0 H VAL A 30 -7.526 -9.879 4.868 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.822 -11.347 2.316 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.426 -9.625 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.983 -7.272 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.797 -8.369 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.357 -7.733 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.513 -8.030 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.865 -8.535 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.979 -9.698 0.254 1.00 0.00 H new ATOM 462 N ASN A 31 -5.310 -11.271 2.448 1.00 0.00 N ATOM 463 CA ASN A 31 -3.875 -11.167 2.217 1.00 0.00 C ATOM 464 C ASN A 31 -3.326 -12.506 1.717 1.00 0.00 C ATOM 465 O ASN A 31 -4.100 -13.404 1.382 1.00 0.00 O ATOM 466 CB ASN A 31 -3.203 -10.771 3.528 1.00 0.00 C ATOM 467 CG ASN A 31 -1.811 -10.187 3.358 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.596 -9.431 2.290 1.00 0.00 O flip ATOM 469 ND2 ASN A 31 -0.937 -10.408 4.192 1.00 0.00 N flip ATOM 0 H ASN A 31 -5.673 -12.224 2.420 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.671 -10.413 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.831 -10.042 4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.142 -11.648 4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.141 -10.995 5.001 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.007 -10.004 4.076 1.00 0.00 H new ATOM 476 N PHE A 32 -1.997 -12.619 1.654 1.00 0.00 N ATOM 477 CA PHE A 32 -1.312 -13.876 1.328 1.00 0.00 C ATOM 478 C PHE A 32 -1.647 -14.385 -0.076 1.00 0.00 C ATOM 479 O PHE A 32 -1.729 -15.594 -0.306 1.00 0.00 O ATOM 480 CB PHE A 32 -1.635 -14.952 2.373 1.00 0.00 C ATOM 481 CG PHE A 32 -1.082 -14.653 3.738 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.226 -14.980 4.054 1.00 0.00 C ATOM 483 CD2 PHE A 32 -1.869 -14.044 4.703 1.00 0.00 C ATOM 484 CE1 PHE A 32 0.740 -14.705 5.308 1.00 0.00 C ATOM 485 CE2 PHE A 32 -1.361 -13.766 5.957 1.00 0.00 C ATOM 486 CZ PHE A 32 -0.054 -14.098 6.259 1.00 0.00 C ATOM 0 H PHE A 32 -1.362 -11.840 1.828 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.243 -13.664 1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.717 -15.063 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.239 -15.908 2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.852 -15.455 3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.891 -13.784 4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.762 -14.965 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.984 -13.290 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.346 -13.882 7.239 1.00 0.00 H new ATOM 496 N SER A 33 -1.830 -13.466 -1.011 1.00 0.00 N ATOM 497 CA SER A 33 -2.091 -13.816 -2.405 1.00 0.00 C ATOM 498 C SER A 33 -1.660 -12.670 -3.315 1.00 0.00 C ATOM 499 O SER A 33 -2.371 -11.681 -3.453 1.00 0.00 O ATOM 500 CB SER A 33 -3.582 -14.114 -2.608 1.00 0.00 C ATOM 501 OG SER A 33 -4.017 -15.164 -1.759 1.00 0.00 O ATOM 0 H SER A 33 -1.803 -12.462 -0.831 1.00 0.00 H new ATOM 0 HA SER A 33 -1.519 -14.709 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.165 -13.215 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.763 -14.386 -3.648 1.00 0.00 H new ATOM 0 HG SER A 33 -4.971 -15.332 -1.908 1.00 0.00 H new ATOM 507 N LEU A 34 -0.483 -12.830 -3.931 1.00 0.00 N ATOM 508 CA LEU A 34 0.151 -11.789 -4.757 1.00 0.00 C ATOM 509 C LEU A 34 -0.804 -11.141 -5.755 1.00 0.00 C ATOM 510 O LEU A 34 -0.787 -9.922 -5.927 1.00 0.00 O ATOM 511 CB LEU A 34 1.352 -12.367 -5.510 1.00 0.00 C ATOM 512 CG LEU A 34 2.715 -12.109 -4.865 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.980 -10.617 -4.776 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.794 -12.744 -3.488 1.00 0.00 C ATOM 0 H LEU A 34 0.062 -13.690 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 34 0.472 -11.010 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.214 -13.444 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.361 -11.953 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 34 3.481 -12.566 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.953 -10.447 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.972 -10.186 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.205 -10.145 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.773 -12.546 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.019 -12.322 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.647 -13.821 -3.575 1.00 0.00 H new ATOM 526 N ASP A 35 -1.609 -11.950 -6.427 1.00 0.00 N ATOM 527 CA ASP A 35 -2.603 -11.438 -7.367 1.00 0.00 C ATOM 528 C ASP A 35 -3.555 -10.485 -6.666 1.00 0.00 C ATOM 529 O ASP A 35 -3.836 -9.388 -7.148 1.00 0.00 O ATOM 530 CB ASP A 35 -3.390 -12.593 -7.983 1.00 0.00 C ATOM 531 CG ASP A 35 -4.615 -12.131 -8.751 1.00 0.00 C ATOM 532 OD1 ASP A 35 -4.475 -11.733 -9.925 1.00 0.00 O ATOM 533 OD2 ASP A 35 -5.730 -12.186 -8.188 1.00 0.00 O ATOM 0 H ASP A 35 -1.596 -12.966 -6.341 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.083 -10.898 -8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.738 -13.154 -8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.700 -13.277 -7.193 1.00 0.00 H new ATOM 538 N THR A 36 -4.027 -10.910 -5.513 1.00 0.00 N ATOM 539 CA THR A 36 -4.966 -10.135 -4.734 1.00 0.00 C ATOM 540 C THR A 36 -4.306 -8.910 -4.113 1.00 0.00 C ATOM 541 O THR A 36 -4.931 -7.859 -4.038 1.00 0.00 O ATOM 542 CB THR A 36 -5.613 -11.005 -3.643 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.231 -12.148 -4.251 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.655 -10.228 -2.856 1.00 0.00 C ATOM 0 H THR A 36 -3.770 -11.802 -5.091 1.00 0.00 H new ATOM 0 HA THR A 36 -5.744 -9.785 -5.413 1.00 0.00 H new ATOM 0 HB THR A 36 -4.831 -11.320 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.643 -12.705 -3.558 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.091 -10.874 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.184 -9.369 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.438 -9.883 -3.531 1.00 0.00 H new ATOM 552 N ILE A 37 -3.041 -9.031 -3.707 1.00 0.00 N ATOM 553 CA ILE A 37 -2.320 -7.899 -3.121 1.00 0.00 C ATOM 554 C ILE A 37 -2.352 -6.715 -4.082 1.00 0.00 C ATOM 555 O ILE A 37 -2.419 -5.558 -3.664 1.00 0.00 O ATOM 556 CB ILE A 37 -0.844 -8.225 -2.792 1.00 0.00 C ATOM 557 CG1 ILE A 37 -0.701 -9.599 -2.132 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.267 -7.152 -1.879 1.00 0.00 C ATOM 559 CD1 ILE A 37 -1.437 -9.733 -0.821 1.00 0.00 C ATOM 0 H ILE A 37 -2.499 -9.892 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.825 -7.661 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.291 -8.246 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.066 -10.361 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.357 -9.801 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.773 -7.388 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.318 -6.184 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.841 -7.114 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.285 -10.735 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.057 -8.997 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.502 -9.565 -0.983 1.00 0.00 H new ATOM 571 N GLU A 38 -2.318 -7.015 -5.379 1.00 0.00 N ATOM 572 CA GLU A 38 -2.430 -5.987 -6.400 1.00 0.00 C ATOM 573 C GLU A 38 -3.774 -5.277 -6.277 1.00 0.00 C ATOM 574 O GLU A 38 -3.842 -4.050 -6.254 1.00 0.00 O ATOM 575 CB GLU A 38 -2.272 -6.585 -7.804 1.00 0.00 C ATOM 576 CG GLU A 38 -2.376 -5.549 -8.915 1.00 0.00 C ATOM 577 CD GLU A 38 -2.568 -6.165 -10.285 1.00 0.00 C ATOM 578 OE1 GLU A 38 -3.599 -6.833 -10.497 1.00 0.00 O ATOM 579 OE2 GLU A 38 -1.701 -5.971 -11.161 1.00 0.00 O ATOM 0 H GLU A 38 -2.214 -7.962 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.628 -5.265 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.306 -7.085 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.036 -7.347 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.211 -4.881 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.473 -4.939 -8.921 1.00 0.00 H new ATOM 586 N LYS A 39 -4.836 -6.064 -6.160 1.00 0.00 N ATOM 587 CA LYS A 39 -6.183 -5.527 -6.020 1.00 0.00 C ATOM 588 C LYS A 39 -6.321 -4.798 -4.686 1.00 0.00 C ATOM 589 O LYS A 39 -6.989 -3.770 -4.595 1.00 0.00 O ATOM 590 CB LYS A 39 -7.211 -6.661 -6.117 1.00 0.00 C ATOM 591 CG LYS A 39 -8.636 -6.234 -5.804 1.00 0.00 C ATOM 592 CD LYS A 39 -9.200 -5.290 -6.854 1.00 0.00 C ATOM 593 CE LYS A 39 -10.529 -4.709 -6.399 1.00 0.00 C ATOM 594 NZ LYS A 39 -11.218 -3.955 -7.478 1.00 0.00 N ATOM 0 H LYS A 39 -4.789 -7.083 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.368 -4.816 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.181 -7.079 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.923 -7.458 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.271 -7.117 -5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.661 -5.746 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.491 -4.484 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.334 -5.824 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.176 -5.516 -6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.361 -4.048 -5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.118 -3.579 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.615 -3.168 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.404 -4.590 -8.281 1.00 0.00 H new ATOM 608 N GLU A 40 -5.675 -5.338 -3.665 1.00 0.00 N ATOM 609 CA GLU A 40 -5.703 -4.764 -2.326 1.00 0.00 C ATOM 610 C GLU A 40 -5.120 -3.358 -2.328 1.00 0.00 C ATOM 611 O GLU A 40 -5.770 -2.413 -1.871 1.00 0.00 O ATOM 612 CB GLU A 40 -4.937 -5.664 -1.349 1.00 0.00 C ATOM 613 CG GLU A 40 -5.623 -6.997 -1.072 1.00 0.00 C ATOM 614 CD GLU A 40 -4.687 -8.038 -0.474 1.00 0.00 C ATOM 615 OE1 GLU A 40 -3.597 -7.661 -0.007 1.00 0.00 O ATOM 616 OE2 GLU A 40 -5.040 -9.243 -0.493 1.00 0.00 O ATOM 0 H GLU A 40 -5.115 -6.188 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.741 -4.698 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.942 -5.855 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.805 -5.132 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.458 -6.834 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.041 -7.384 -2.002 1.00 0.00 H new ATOM 623 N LEU A 41 -3.907 -3.215 -2.856 1.00 0.00 N ATOM 624 CA LEU A 41 -3.276 -1.905 -2.956 1.00 0.00 C ATOM 625 C LEU A 41 -4.151 -0.945 -3.755 1.00 0.00 C ATOM 626 O LEU A 41 -4.304 0.218 -3.387 1.00 0.00 O ATOM 627 CB LEU A 41 -1.887 -1.995 -3.603 1.00 0.00 C ATOM 628 CG LEU A 41 -0.694 -2.039 -2.640 1.00 0.00 C ATOM 629 CD1 LEU A 41 -0.867 -1.043 -1.503 1.00 0.00 C ATOM 630 CD2 LEU A 41 -0.478 -3.434 -2.092 1.00 0.00 C ATOM 0 H LEU A 41 -3.346 -3.986 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.158 -1.525 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.857 -2.888 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.761 -1.139 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 41 0.192 -1.758 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.006 -1.098 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.947 -0.035 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.773 -1.281 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.375 -3.430 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.369 -3.755 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.284 -4.122 -2.915 1.00 0.00 H new ATOM 642 N ILE A 42 -4.737 -1.447 -4.836 1.00 0.00 N ATOM 643 CA ILE A 42 -5.598 -0.640 -5.694 1.00 0.00 C ATOM 644 C ILE A 42 -6.858 -0.190 -4.961 1.00 0.00 C ATOM 645 O ILE A 42 -7.241 0.981 -5.031 1.00 0.00 O ATOM 646 CB ILE A 42 -5.977 -1.411 -6.979 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.739 -1.606 -7.861 1.00 0.00 C ATOM 648 CG2 ILE A 42 -7.072 -0.685 -7.747 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.996 -2.439 -9.097 1.00 0.00 C ATOM 0 H ILE A 42 -4.631 -2.415 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.033 0.249 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.362 -2.390 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.363 -0.629 -8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.955 -2.080 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.320 -1.248 -8.647 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.958 -0.595 -7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.723 0.309 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.074 -2.533 -9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.343 -3.430 -8.803 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.757 -1.956 -9.710 1.00 0.00 H new ATOM 661 N SER A 43 -7.481 -1.109 -4.242 1.00 0.00 N ATOM 662 CA SER A 43 -8.686 -0.799 -3.491 1.00 0.00 C ATOM 663 C SER A 43 -8.412 0.313 -2.485 1.00 0.00 C ATOM 664 O SER A 43 -9.156 1.288 -2.400 1.00 0.00 O ATOM 665 CB SER A 43 -9.195 -2.051 -2.776 1.00 0.00 C ATOM 666 OG SER A 43 -9.399 -3.112 -3.694 1.00 0.00 O ATOM 0 H SER A 43 -7.171 -2.078 -4.163 1.00 0.00 H new ATOM 0 HA SER A 43 -9.453 -0.455 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.477 -2.357 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.129 -1.826 -2.261 1.00 0.00 H new ATOM 0 HG SER A 43 -8.573 -3.632 -3.782 1.00 0.00 H new ATOM 672 N PHE A 44 -7.307 0.185 -1.761 1.00 0.00 N ATOM 673 CA PHE A 44 -6.955 1.159 -0.739 1.00 0.00 C ATOM 674 C PHE A 44 -6.405 2.434 -1.378 1.00 0.00 C ATOM 675 O PHE A 44 -6.350 3.480 -0.743 1.00 0.00 O ATOM 676 CB PHE A 44 -5.931 0.560 0.224 1.00 0.00 C ATOM 677 CG PHE A 44 -5.964 1.164 1.600 1.00 0.00 C ATOM 678 CD1 PHE A 44 -6.944 0.789 2.506 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.018 2.095 1.992 1.00 0.00 C ATOM 680 CE1 PHE A 44 -6.980 1.332 3.775 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.049 2.643 3.260 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.031 2.262 4.153 1.00 0.00 C ATOM 0 H PHE A 44 -6.642 -0.582 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.854 1.418 -0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.106 -0.513 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.933 0.689 -0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.689 0.063 2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.247 2.397 1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.749 1.030 4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.305 3.369 3.553 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.057 2.690 5.144 1.00 0.00 H new ATOM 692 N CYS A 45 -6.003 2.336 -2.638 1.00 0.00 N ATOM 693 CA CYS A 45 -5.510 3.488 -3.386 1.00 0.00 C ATOM 694 C CYS A 45 -6.636 4.471 -3.670 1.00 0.00 C ATOM 695 O CYS A 45 -6.490 5.669 -3.450 1.00 0.00 O ATOM 696 CB CYS A 45 -4.862 3.030 -4.700 1.00 0.00 C ATOM 697 SG CYS A 45 -4.656 4.337 -5.967 1.00 0.00 S ATOM 0 H CYS A 45 -6.008 1.465 -3.168 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.759 3.994 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.883 2.607 -4.475 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.466 2.228 -5.124 1.00 0.00 H new ATOM 702 N LEU A 46 -7.760 3.964 -4.155 1.00 0.00 N ATOM 703 CA LEU A 46 -8.876 4.829 -4.513 1.00 0.00 C ATOM 704 C LEU A 46 -9.784 5.122 -3.316 1.00 0.00 C ATOM 705 O LEU A 46 -10.384 6.194 -3.235 1.00 0.00 O ATOM 706 CB LEU A 46 -9.704 4.219 -5.643 1.00 0.00 C ATOM 707 CG LEU A 46 -9.136 4.372 -7.059 1.00 0.00 C ATOM 708 CD1 LEU A 46 -8.815 5.830 -7.353 1.00 0.00 C ATOM 709 CD2 LEU A 46 -7.907 3.496 -7.257 1.00 0.00 C ATOM 0 H LEU A 46 -7.924 2.969 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.443 5.770 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.832 3.156 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.696 4.669 -5.622 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.898 4.039 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.413 5.918 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.724 6.426 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.078 6.192 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.527 3.626 -8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.137 3.783 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.176 2.451 -7.102 1.00 0.00 H new ATOM 721 N ASP A 47 -9.882 4.168 -2.394 1.00 0.00 N ATOM 722 CA ASP A 47 -10.826 4.272 -1.275 1.00 0.00 C ATOM 723 C ASP A 47 -10.389 5.315 -0.247 1.00 0.00 C ATOM 724 O ASP A 47 -11.214 5.853 0.495 1.00 0.00 O ATOM 725 CB ASP A 47 -11.001 2.910 -0.596 1.00 0.00 C ATOM 726 CG ASP A 47 -12.036 2.937 0.513 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.227 3.170 0.215 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.665 2.727 1.686 1.00 0.00 O ATOM 0 H ASP A 47 -9.323 3.315 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.780 4.597 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.294 2.171 -1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.044 2.587 -0.186 1.00 0.00 H new ATOM 733 N THR A 48 -9.100 5.615 -0.220 1.00 0.00 N ATOM 734 CA THR A 48 -8.543 6.557 0.740 1.00 0.00 C ATOM 735 C THR A 48 -8.935 7.999 0.428 1.00 0.00 C ATOM 736 O THR A 48 -9.857 8.250 -0.354 1.00 0.00 O ATOM 737 CB THR A 48 -7.017 6.445 0.758 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.545 6.060 -0.539 1.00 0.00 O ATOM 739 CG2 THR A 48 -6.559 5.438 1.800 1.00 0.00 C ATOM 0 H THR A 48 -8.413 5.215 -0.859 1.00 0.00 H new ATOM 0 HA THR A 48 -8.953 6.300 1.717 1.00 0.00 H new ATOM 0 HB THR A 48 -6.601 7.418 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.954 6.634 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.471 5.377 1.793 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.898 5.755 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.979 4.459 1.569 1.00 0.00 H new ATOM 747 N LYS A 49 -8.233 8.946 1.033 1.00 0.00 N ATOM 748 CA LYS A 49 -8.515 10.354 0.805 1.00 0.00 C ATOM 749 C LYS A 49 -7.547 10.927 -0.217 1.00 0.00 C ATOM 750 O LYS A 49 -6.599 10.258 -0.609 1.00 0.00 O ATOM 751 CB LYS A 49 -8.434 11.129 2.119 1.00 0.00 C ATOM 752 CG LYS A 49 -9.167 10.448 3.265 1.00 0.00 C ATOM 753 CD LYS A 49 -10.640 10.240 2.949 1.00 0.00 C ATOM 754 CE LYS A 49 -11.372 9.595 4.113 1.00 0.00 C ATOM 755 NZ LYS A 49 -12.782 9.275 3.773 1.00 0.00 N ATOM 0 H LYS A 49 -7.468 8.766 1.683 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.527 10.450 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.387 11.259 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.851 12.125 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.701 9.485 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.071 11.051 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.102 11.199 2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.738 9.613 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.854 8.682 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.349 10.265 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.246 8.836 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.284 10.149 3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.804 8.615 2.969 1.00 0.00 H new ATOM 769 N GLY A 50 -7.783 12.171 -0.624 1.00 0.00 N ATOM 770 CA GLY A 50 -7.075 12.751 -1.757 1.00 0.00 C ATOM 771 C GLY A 50 -5.564 12.600 -1.705 1.00 0.00 C ATOM 772 O GLY A 50 -4.950 12.203 -2.699 1.00 0.00 O ATOM 0 H GLY A 50 -8.459 12.795 -0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.442 12.288 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.319 13.812 -1.816 1.00 0.00 H new ATOM 776 N LYS A 51 -4.963 12.906 -0.560 1.00 0.00 N ATOM 777 CA LYS A 51 -3.514 12.785 -0.406 1.00 0.00 C ATOM 778 C LYS A 51 -3.063 11.349 -0.615 1.00 0.00 C ATOM 779 O LYS A 51 -2.019 11.100 -1.207 1.00 0.00 O ATOM 780 CB LYS A 51 -3.053 13.272 0.973 1.00 0.00 C ATOM 781 CG LYS A 51 -2.853 14.777 1.067 1.00 0.00 C ATOM 782 CD LYS A 51 -4.164 15.531 0.927 1.00 0.00 C ATOM 783 CE LYS A 51 -3.950 17.035 0.944 1.00 0.00 C ATOM 784 NZ LYS A 51 -5.239 17.773 0.915 1.00 0.00 N ATOM 0 H LYS A 51 -5.452 13.238 0.272 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.057 13.417 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.788 12.967 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.116 12.776 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.393 15.023 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.163 15.101 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.652 15.243 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.835 15.249 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.391 17.313 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.344 17.326 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.054 18.796 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.761 17.526 0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.806 17.514 1.747 1.00 0.00 H new ATOM 798 N GLU A 52 -3.873 10.412 -0.153 1.00 0.00 N ATOM 799 CA GLU A 52 -3.539 9.000 -0.233 1.00 0.00 C ATOM 800 C GLU A 52 -3.863 8.442 -1.615 1.00 0.00 C ATOM 801 O GLU A 52 -3.153 7.576 -2.127 1.00 0.00 O ATOM 802 CB GLU A 52 -4.303 8.229 0.828 1.00 0.00 C ATOM 803 CG GLU A 52 -4.102 8.762 2.232 1.00 0.00 C ATOM 804 CD GLU A 52 -5.081 8.157 3.209 1.00 0.00 C ATOM 805 OE1 GLU A 52 -6.251 8.610 3.231 1.00 0.00 O ATOM 806 OE2 GLU A 52 -4.700 7.226 3.947 1.00 0.00 O ATOM 0 H GLU A 52 -4.774 10.606 0.285 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.468 8.889 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.366 8.254 0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.994 7.184 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.084 8.549 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.215 9.846 2.229 1.00 0.00 H new ATOM 813 N ASN A 53 -4.936 8.946 -2.223 1.00 0.00 N ATOM 814 CA ASN A 53 -5.296 8.550 -3.583 1.00 0.00 C ATOM 815 C ASN A 53 -4.222 9.038 -4.547 1.00 0.00 C ATOM 816 O ASN A 53 -4.070 8.517 -5.646 1.00 0.00 O ATOM 817 CB ASN A 53 -6.661 9.118 -4.018 1.00 0.00 C ATOM 818 CG ASN A 53 -7.785 8.901 -3.027 1.00 0.00 C ATOM 819 OD1 ASN A 53 -7.785 7.772 -2.354 1.00 0.00 O flip ATOM 820 ND2 ASN A 53 -8.683 9.738 -2.901 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.568 9.625 -1.798 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.370 7.463 -3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.553 10.188 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.941 8.664 -4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.652 10.604 -3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.456 9.564 -2.259 1.00 0.00 H new ATOM 827 N ARG A 54 -3.500 10.073 -4.140 1.00 0.00 N ATOM 828 CA ARG A 54 -2.338 10.528 -4.888 1.00 0.00 C ATOM 829 C ARG A 54 -1.104 9.751 -4.443 1.00 0.00 C ATOM 830 O ARG A 54 -0.223 9.439 -5.244 1.00 0.00 O ATOM 831 CB ARG A 54 -2.127 12.029 -4.690 1.00 0.00 C ATOM 832 CG ARG A 54 -1.142 12.647 -5.672 1.00 0.00 C ATOM 833 CD ARG A 54 -1.467 12.268 -7.114 1.00 0.00 C ATOM 834 NE ARG A 54 -2.862 12.544 -7.470 1.00 0.00 N ATOM 835 CZ ARG A 54 -3.323 12.571 -8.723 1.00 0.00 C ATOM 836 NH1 ARG A 54 -2.492 12.397 -9.748 1.00 0.00 N ATOM 837 NH2 ARG A 54 -4.616 12.772 -8.950 1.00 0.00 N ATOM 0 H ARG A 54 -3.699 10.612 -3.297 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.507 10.347 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.087 12.537 -4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.772 12.205 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.158 13.732 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.132 12.319 -5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.809 12.817 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.261 11.208 -7.262 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.521 12.727 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.498 12.242 -9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.849 12.418 -10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.256 12.906 -8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.969 12.793 -9.907 1.00 0.00 H new ATOM 851 N LEU A 55 -1.069 9.431 -3.153 1.00 0.00 N ATOM 852 CA LEU A 55 0.040 8.708 -2.544 1.00 0.00 C ATOM 853 C LEU A 55 0.217 7.331 -3.174 1.00 0.00 C ATOM 854 O LEU A 55 1.341 6.857 -3.342 1.00 0.00 O ATOM 855 CB LEU A 55 -0.206 8.553 -1.042 1.00 0.00 C ATOM 856 CG LEU A 55 0.937 7.928 -0.250 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.105 8.891 -0.156 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.460 7.525 1.133 1.00 0.00 C ATOM 0 H LEU A 55 -1.814 9.668 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 55 0.951 9.282 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.420 9.536 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.099 7.945 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 55 1.275 7.032 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.912 8.429 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.459 9.133 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.784 9.804 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.286 7.080 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.099 8.406 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.348 6.799 1.042 1.00 0.00 H new ATOM 870 N CYS A 56 -0.889 6.690 -3.527 1.00 0.00 N ATOM 871 CA CYS A 56 -0.836 5.359 -4.112 1.00 0.00 C ATOM 872 C CYS A 56 -0.159 5.380 -5.477 1.00 0.00 C ATOM 873 O CYS A 56 0.330 4.355 -5.946 1.00 0.00 O ATOM 874 CB CYS A 56 -2.233 4.741 -4.207 1.00 0.00 C ATOM 875 SG CYS A 56 -3.454 5.730 -5.108 1.00 0.00 S ATOM 0 H CYS A 56 -1.830 7.069 -3.419 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.235 4.735 -3.451 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.150 3.767 -4.690 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.605 4.566 -3.197 1.00 0.00 H new ATOM 880 N TYR A 57 -0.106 6.550 -6.105 1.00 0.00 N ATOM 881 CA TYR A 57 0.638 6.704 -7.348 1.00 0.00 C ATOM 882 C TYR A 57 2.131 6.579 -7.079 1.00 0.00 C ATOM 883 O TYR A 57 2.887 6.117 -7.927 1.00 0.00 O ATOM 884 CB TYR A 57 0.343 8.049 -8.012 1.00 0.00 C ATOM 885 CG TYR A 57 -0.958 8.088 -8.780 1.00 0.00 C ATOM 886 CD1 TYR A 57 -1.004 7.710 -10.114 1.00 0.00 C ATOM 887 CD2 TYR A 57 -2.133 8.510 -8.176 1.00 0.00 C ATOM 888 CE1 TYR A 57 -2.185 7.748 -10.826 1.00 0.00 C ATOM 889 CE2 TYR A 57 -3.319 8.554 -8.883 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.339 8.172 -10.207 1.00 0.00 C ATOM 891 OH TYR A 57 -4.518 8.223 -10.916 1.00 0.00 O ATOM 0 H TYR A 57 -0.566 7.399 -5.776 1.00 0.00 H new ATOM 0 HA TYR A 57 0.321 5.913 -8.028 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.323 8.823 -7.245 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.160 8.294 -8.691 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.100 7.380 -10.604 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.121 8.808 -7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.204 7.447 -11.863 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.226 8.886 -8.400 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.237 8.543 -10.332 1.00 0.00 H new ATOM 901 N TYR A 58 2.546 6.989 -5.890 1.00 0.00 N ATOM 902 CA TYR A 58 3.943 6.900 -5.502 1.00 0.00 C ATOM 903 C TYR A 58 4.253 5.521 -4.935 1.00 0.00 C ATOM 904 O TYR A 58 5.255 4.908 -5.294 1.00 0.00 O ATOM 905 CB TYR A 58 4.293 7.976 -4.473 1.00 0.00 C ATOM 906 CG TYR A 58 4.055 9.389 -4.952 1.00 0.00 C ATOM 907 CD1 TYR A 58 4.972 10.021 -5.781 1.00 0.00 C ATOM 908 CD2 TYR A 58 2.918 10.090 -4.573 1.00 0.00 C ATOM 909 CE1 TYR A 58 4.762 11.313 -6.218 1.00 0.00 C ATOM 910 CE2 TYR A 58 2.702 11.383 -5.007 1.00 0.00 C ATOM 911 CZ TYR A 58 3.627 11.989 -5.828 1.00 0.00 C ATOM 912 OH TYR A 58 3.416 13.277 -6.265 1.00 0.00 O ATOM 0 H TYR A 58 1.934 7.387 -5.178 1.00 0.00 H new ATOM 0 HA TYR A 58 4.549 7.061 -6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.705 7.806 -3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.342 7.870 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.863 9.494 -6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.192 9.617 -3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.484 11.792 -6.863 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.813 11.916 -4.704 1.00 0.00 H new ATOM 0 HH TYR A 58 2.570 13.611 -5.901 1.00 0.00 H new ATOM 922 N LEU A 59 3.373 5.035 -4.061 1.00 0.00 N ATOM 923 CA LEU A 59 3.552 3.729 -3.425 1.00 0.00 C ATOM 924 C LEU A 59 3.396 2.590 -4.429 1.00 0.00 C ATOM 925 O LEU A 59 3.730 1.447 -4.138 1.00 0.00 O ATOM 926 CB LEU A 59 2.552 3.543 -2.275 1.00 0.00 C ATOM 927 CG LEU A 59 2.776 4.446 -1.057 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.684 4.233 -0.024 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.137 4.185 -0.434 1.00 0.00 C ATOM 0 H LEU A 59 2.526 5.527 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 59 4.566 3.700 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.547 3.720 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.590 2.504 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 59 2.741 5.481 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.862 4.883 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.715 4.469 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.690 3.193 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.273 4.837 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.198 3.144 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.918 4.386 -1.168 1.00 0.00 H new ATOM 941 N GLY A 60 2.882 2.914 -5.608 1.00 0.00 N ATOM 942 CA GLY A 60 2.712 1.918 -6.642 1.00 0.00 C ATOM 943 C GLY A 60 1.516 1.035 -6.388 1.00 0.00 C ATOM 944 O GLY A 60 1.564 -0.168 -6.602 1.00 0.00 O ATOM 0 H GLY A 60 2.579 3.853 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.598 2.413 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.610 1.303 -6.703 1.00 0.00 H new ATOM 948 N ALA A 61 0.438 1.640 -5.930 1.00 0.00 N ATOM 949 CA ALA A 61 -0.777 0.906 -5.629 1.00 0.00 C ATOM 950 C ALA A 61 -1.841 1.199 -6.672 1.00 0.00 C ATOM 951 O ALA A 61 -3.038 1.093 -6.418 1.00 0.00 O ATOM 952 CB ALA A 61 -1.261 1.260 -4.235 1.00 0.00 C ATOM 0 H ALA A 61 0.378 2.643 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.568 -0.163 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.173 0.706 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.493 0.999 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.464 2.330 -4.181 1.00 0.00 H new ATOM 958 N THR A 62 -1.380 1.578 -7.848 1.00 0.00 N ATOM 959 CA THR A 62 -2.249 1.860 -8.971 1.00 0.00 C ATOM 960 C THR A 62 -1.526 1.518 -10.264 1.00 0.00 C ATOM 961 O THR A 62 -0.320 1.746 -10.395 1.00 0.00 O ATOM 962 CB THR A 62 -2.714 3.337 -8.985 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.278 3.673 -10.259 1.00 0.00 O ATOM 964 CG2 THR A 62 -1.566 4.281 -8.664 1.00 0.00 C ATOM 0 H THR A 62 -0.388 1.699 -8.051 1.00 0.00 H new ATOM 0 HA THR A 62 -3.143 1.244 -8.874 1.00 0.00 H new ATOM 0 HB THR A 62 -3.476 3.451 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.569 4.609 -10.251 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.925 5.310 -8.682 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.172 4.051 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.777 4.159 -9.406 1.00 0.00 H new ATOM 972 N LYS A 63 -2.266 0.967 -11.216 1.00 0.00 N ATOM 973 CA LYS A 63 -1.683 0.482 -12.458 1.00 0.00 C ATOM 974 C LYS A 63 -1.437 1.638 -13.418 1.00 0.00 C ATOM 975 O LYS A 63 -0.885 1.454 -14.504 1.00 0.00 O ATOM 976 CB LYS A 63 -2.610 -0.554 -13.097 1.00 0.00 C ATOM 977 CG LYS A 63 -2.923 -1.734 -12.186 1.00 0.00 C ATOM 978 CD LYS A 63 -4.018 -2.618 -12.767 1.00 0.00 C ATOM 979 CE LYS A 63 -3.544 -3.384 -13.991 1.00 0.00 C ATOM 980 NZ LYS A 63 -2.613 -4.487 -13.634 1.00 0.00 N ATOM 0 H LYS A 63 -3.277 0.845 -11.151 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.725 0.011 -12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.543 -0.068 -13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.151 -0.925 -14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.020 -2.326 -12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.233 -1.367 -11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.356 -3.323 -12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.877 -2.002 -13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.406 -3.794 -14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.047 -2.698 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.651 -4.243 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.620 -4.628 -12.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.916 -5.363 -14.105 1.00 0.00 H new ATOM 994 N ASP A 64 -1.842 2.831 -13.005 1.00 0.00 N ATOM 995 CA ASP A 64 -1.664 4.028 -13.817 1.00 0.00 C ATOM 996 C ASP A 64 -0.361 4.729 -13.460 1.00 0.00 C ATOM 997 O ASP A 64 -0.095 5.838 -13.923 1.00 0.00 O ATOM 998 CB ASP A 64 -2.833 4.994 -13.626 1.00 0.00 C ATOM 999 CG ASP A 64 -4.164 4.390 -14.017 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -4.398 4.185 -15.223 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -4.992 4.130 -13.117 1.00 0.00 O ATOM 0 H ASP A 64 -2.298 2.996 -12.108 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.629 3.719 -14.862 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.874 5.306 -12.582 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.658 5.891 -14.220 1.00 0.00 H new ATOM 1006 N ALA A 65 0.445 4.082 -12.632 1.00 0.00 N ATOM 1007 CA ALA A 65 1.719 4.644 -12.213 1.00 0.00 C ATOM 1008 C ALA A 65 2.853 3.654 -12.437 1.00 0.00 C ATOM 1009 O ALA A 65 2.705 2.710 -13.221 1.00 0.00 O ATOM 1010 CB ALA A 65 1.651 5.064 -10.753 1.00 0.00 C ATOM 0 H ALA A 65 0.238 3.165 -12.236 1.00 0.00 H new ATOM 0 HA ALA A 65 1.923 5.525 -12.821 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.610 5.483 -10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.871 5.814 -10.626 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.423 4.196 -10.135 1.00 0.00 H new ATOM 1016 N ALA A 66 3.981 3.881 -11.766 1.00 0.00 N ATOM 1017 CA ALA A 66 5.113 2.967 -11.835 1.00 0.00 C ATOM 1018 C ALA A 66 4.669 1.561 -11.460 1.00 0.00 C ATOM 1019 O ALA A 66 4.347 1.284 -10.306 1.00 0.00 O ATOM 1020 CB ALA A 66 6.236 3.437 -10.922 1.00 0.00 C ATOM 0 H ALA A 66 4.133 4.693 -11.168 1.00 0.00 H new ATOM 0 HA ALA A 66 5.492 2.953 -12.857 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.073 2.742 -10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.564 4.430 -11.230 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.876 3.477 -9.894 1.00 0.00 H new ATOM 1026 N THR A 67 4.641 0.678 -12.439 1.00 0.00 N ATOM 1027 CA THR A 67 4.100 -0.647 -12.231 1.00 0.00 C ATOM 1028 C THR A 67 5.140 -1.582 -11.615 1.00 0.00 C ATOM 1029 O THR A 67 4.802 -2.642 -11.090 1.00 0.00 O ATOM 1030 CB THR A 67 3.570 -1.226 -13.552 1.00 0.00 C ATOM 1031 OG1 THR A 67 3.447 -0.173 -14.522 1.00 0.00 O ATOM 1032 CG2 THR A 67 2.206 -1.861 -13.340 1.00 0.00 C ATOM 0 H THR A 67 4.986 0.855 -13.383 1.00 0.00 H new ATOM 0 HA THR A 67 3.270 -0.562 -11.529 1.00 0.00 H new ATOM 0 HB THR A 67 4.269 -1.983 -13.907 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.110 -0.542 -15.365 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.843 -2.267 -14.284 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.288 -2.664 -12.608 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.507 -1.108 -12.976 1.00 0.00 H new ATOM 1040 N LYS A 68 6.405 -1.172 -11.660 1.00 0.00 N ATOM 1041 CA LYS A 68 7.476 -1.951 -11.049 1.00 0.00 C ATOM 1042 C LYS A 68 7.320 -1.979 -9.533 1.00 0.00 C ATOM 1043 O LYS A 68 7.440 -3.030 -8.906 1.00 0.00 O ATOM 1044 CB LYS A 68 8.846 -1.371 -11.412 1.00 0.00 C ATOM 1045 CG LYS A 68 10.006 -2.110 -10.765 1.00 0.00 C ATOM 1046 CD LYS A 68 11.322 -1.396 -11.004 1.00 0.00 C ATOM 1047 CE LYS A 68 12.471 -2.095 -10.297 1.00 0.00 C ATOM 1048 NZ LYS A 68 13.751 -1.368 -10.483 1.00 0.00 N ATOM 0 H LYS A 68 6.711 -0.310 -12.111 1.00 0.00 H new ATOM 0 HA LYS A 68 7.410 -2.969 -11.434 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.968 -1.397 -12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.880 -0.324 -11.112 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.829 -2.200 -9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.062 -3.122 -11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.524 -1.352 -12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.248 -0.367 -10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.249 -2.175 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.570 -3.111 -10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.513 -1.874 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.975 -1.313 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.664 -0.407 -10.095 1.00 0.00 H new ATOM 1062 N ILE A 69 7.032 -0.821 -8.949 1.00 0.00 N ATOM 1063 CA ILE A 69 6.912 -0.714 -7.502 1.00 0.00 C ATOM 1064 C ILE A 69 5.625 -1.385 -7.013 1.00 0.00 C ATOM 1065 O ILE A 69 5.526 -1.788 -5.854 1.00 0.00 O ATOM 1066 CB ILE A 69 6.994 0.758 -7.029 1.00 0.00 C ATOM 1067 CG1 ILE A 69 6.973 0.839 -5.498 1.00 0.00 C ATOM 1068 CG2 ILE A 69 5.871 1.585 -7.628 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.186 2.236 -4.955 1.00 0.00 C ATOM 0 H ILE A 69 6.878 0.052 -9.453 1.00 0.00 H new ATOM 0 HA ILE A 69 7.757 -1.241 -7.059 1.00 0.00 H new ATOM 0 HB ILE A 69 7.940 1.172 -7.379 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.016 0.461 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.746 0.183 -5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.952 2.615 -7.280 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.943 1.563 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.911 1.172 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.158 2.211 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.155 2.611 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.399 2.894 -5.323 1.00 0.00 H new ATOM 1081 N LEU A 70 4.655 -1.539 -7.912 1.00 0.00 N ATOM 1082 CA LEU A 70 3.459 -2.319 -7.612 1.00 0.00 C ATOM 1083 C LEU A 70 3.885 -3.753 -7.311 1.00 0.00 C ATOM 1084 O LEU A 70 3.476 -4.349 -6.312 1.00 0.00 O ATOM 1085 CB LEU A 70 2.478 -2.281 -8.798 1.00 0.00 C ATOM 1086 CG LEU A 70 0.993 -2.473 -8.456 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.131 -2.215 -9.682 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.728 -3.869 -7.918 1.00 0.00 C ATOM 0 H LEU A 70 4.674 -1.136 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 70 2.946 -1.897 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.592 -1.323 -9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.769 -3.055 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 70 0.733 -1.754 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.919 -2.355 -9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.287 -1.193 -10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.406 -2.912 -10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.332 -3.974 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.010 -4.608 -8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.316 -4.028 -7.014 1.00 0.00 H new ATOM 1100 N SER A 71 4.746 -4.283 -8.171 1.00 0.00 N ATOM 1101 CA SER A 71 5.301 -5.612 -7.986 1.00 0.00 C ATOM 1102 C SER A 71 6.200 -5.655 -6.753 1.00 0.00 C ATOM 1103 O SER A 71 6.351 -6.699 -6.118 1.00 0.00 O ATOM 1104 CB SER A 71 6.101 -6.018 -9.223 1.00 0.00 C ATOM 1105 OG SER A 71 5.364 -5.769 -10.406 1.00 0.00 O ATOM 0 H SER A 71 5.075 -3.805 -9.010 1.00 0.00 H new ATOM 0 HA SER A 71 4.478 -6.312 -7.840 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.040 -5.465 -9.251 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.356 -7.076 -9.165 1.00 0.00 H new ATOM 0 HG SER A 71 5.896 -6.035 -11.185 1.00 0.00 H new ATOM 1111 N GLU A 72 6.800 -4.520 -6.419 1.00 0.00 N ATOM 1112 CA GLU A 72 7.654 -4.437 -5.247 1.00 0.00 C ATOM 1113 C GLU A 72 6.837 -4.595 -3.974 1.00 0.00 C ATOM 1114 O GLU A 72 7.046 -5.537 -3.222 1.00 0.00 O ATOM 1115 CB GLU A 72 8.401 -3.099 -5.219 1.00 0.00 C ATOM 1116 CG GLU A 72 9.452 -2.958 -6.306 1.00 0.00 C ATOM 1117 CD GLU A 72 10.621 -3.895 -6.101 1.00 0.00 C ATOM 1118 OE1 GLU A 72 10.497 -5.092 -6.429 1.00 0.00 O ATOM 1119 OE2 GLU A 72 11.671 -3.440 -5.603 1.00 0.00 O ATOM 0 H GLU A 72 6.710 -3.649 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 72 8.380 -5.248 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.679 -2.289 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.880 -2.982 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.996 -3.156 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.813 -1.930 -6.328 1.00 0.00 H new ATOM 1126 N VAL A 73 5.854 -3.718 -3.785 1.00 0.00 N ATOM 1127 CA VAL A 73 5.082 -3.678 -2.543 1.00 0.00 C ATOM 1128 C VAL A 73 4.321 -4.979 -2.313 1.00 0.00 C ATOM 1129 O VAL A 73 4.329 -5.528 -1.210 1.00 0.00 O ATOM 1130 CB VAL A 73 4.088 -2.496 -2.536 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.314 -2.435 -1.225 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.818 -1.189 -2.786 1.00 0.00 C ATOM 0 H VAL A 73 5.572 -3.024 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 73 5.800 -3.543 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 73 3.370 -2.654 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.622 -1.593 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.754 -3.360 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.011 -2.308 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.103 -0.366 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.561 -1.032 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.314 -1.229 -3.756 1.00 0.00 H new ATOM 1142 N THR A 74 3.694 -5.483 -3.364 1.00 0.00 N ATOM 1143 CA THR A 74 2.876 -6.684 -3.269 1.00 0.00 C ATOM 1144 C THR A 74 3.659 -7.878 -2.716 1.00 0.00 C ATOM 1145 O THR A 74 3.097 -8.710 -1.995 1.00 0.00 O ATOM 1146 CB THR A 74 2.276 -7.049 -4.641 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.287 -6.980 -5.655 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.135 -6.111 -5.002 1.00 0.00 C ATOM 0 H THR A 74 3.736 -5.077 -4.299 1.00 0.00 H new ATOM 0 HA THR A 74 2.071 -6.458 -2.570 1.00 0.00 H new ATOM 0 HB THR A 74 1.888 -8.066 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.437 -6.044 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.729 -6.390 -5.974 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.352 -6.183 -4.247 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.505 -5.087 -5.044 1.00 0.00 H new ATOM 1156 N ARG A 75 4.960 -7.942 -3.014 1.00 0.00 N ATOM 1157 CA ARG A 75 5.770 -9.090 -2.609 1.00 0.00 C ATOM 1158 C ARG A 75 5.803 -9.237 -1.081 1.00 0.00 C ATOM 1159 O ARG A 75 5.428 -10.288 -0.559 1.00 0.00 O ATOM 1160 CB ARG A 75 7.195 -8.982 -3.175 1.00 0.00 C ATOM 1161 CG ARG A 75 7.498 -9.946 -4.316 1.00 0.00 C ATOM 1162 CD ARG A 75 6.520 -9.795 -5.472 1.00 0.00 C ATOM 1163 NE ARG A 75 6.998 -10.470 -6.681 1.00 0.00 N ATOM 1164 CZ ARG A 75 6.389 -11.505 -7.260 1.00 0.00 C ATOM 1165 NH1 ARG A 75 5.318 -12.055 -6.703 1.00 0.00 N ATOM 1166 NH2 ARG A 75 6.868 -12.008 -8.389 1.00 0.00 N ATOM 0 H ARG A 75 5.468 -7.222 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 75 5.305 -9.985 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.357 -7.963 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.907 -9.159 -2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.512 -9.773 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.462 -10.970 -3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.552 -10.206 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.367 -8.737 -5.683 1.00 0.00 H new ATOM 0 HE ARG A 75 7.856 -10.124 -7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.954 -11.686 -5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.859 -12.847 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.702 -11.603 -8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.403 -12.800 -8.832 1.00 0.00 H new ATOM 1180 N PRO A 76 6.238 -8.200 -0.328 1.00 0.00 N ATOM 1181 CA PRO A 76 6.238 -8.258 1.133 1.00 0.00 C ATOM 1182 C PRO A 76 4.864 -8.016 1.750 1.00 0.00 C ATOM 1183 O PRO A 76 4.579 -8.508 2.837 1.00 0.00 O ATOM 1184 CB PRO A 76 7.201 -7.141 1.520 1.00 0.00 C ATOM 1185 CG PRO A 76 7.093 -6.148 0.426 1.00 0.00 C ATOM 1186 CD PRO A 76 6.838 -6.945 -0.820 1.00 0.00 C ATOM 0 HA PRO A 76 6.524 -9.246 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.931 -6.702 2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.221 -7.514 1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.282 -5.445 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.008 -5.563 0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.165 -6.420 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.761 -7.133 -1.369 1.00 0.00 H new ATOM 1194 N MET A 77 4.015 -7.267 1.056 1.00 0.00 N ATOM 1195 CA MET A 77 2.687 -6.938 1.574 1.00 0.00 C ATOM 1196 C MET A 77 1.816 -8.182 1.656 1.00 0.00 C ATOM 1197 O MET A 77 0.806 -8.196 2.349 1.00 0.00 O ATOM 1198 CB MET A 77 2.004 -5.901 0.685 1.00 0.00 C ATOM 1199 CG MET A 77 1.479 -4.694 1.440 1.00 0.00 C ATOM 1200 SD MET A 77 2.796 -3.730 2.206 1.00 0.00 S ATOM 1201 CE MET A 77 1.876 -2.303 2.769 1.00 0.00 C ATOM 0 H MET A 77 4.219 -6.876 0.136 1.00 0.00 H new ATOM 0 HA MET A 77 2.814 -6.525 2.575 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.711 -5.564 -0.073 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.176 -6.377 0.159 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.919 -4.057 0.755 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.782 -5.026 2.209 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.439 -1.792 3.551 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.715 -1.621 1.934 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.913 -2.624 3.166 1.00 0.00 H new ATOM 1211 N SER A 78 2.203 -9.213 0.920 1.00 0.00 N ATOM 1212 CA SER A 78 1.517 -10.496 0.974 1.00 0.00 C ATOM 1213 C SER A 78 1.726 -11.191 2.328 1.00 0.00 C ATOM 1214 O SER A 78 1.047 -12.170 2.639 1.00 0.00 O ATOM 1215 CB SER A 78 2.009 -11.388 -0.166 1.00 0.00 C ATOM 1216 OG SER A 78 1.305 -12.619 -0.213 1.00 0.00 O ATOM 0 H SER A 78 2.993 -9.186 0.275 1.00 0.00 H new ATOM 0 HA SER A 78 0.448 -10.318 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.890 -10.865 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.074 -11.583 -0.041 1.00 0.00 H new ATOM 0 HG SER A 78 1.746 -13.224 -0.845 1.00 0.00 H new ATOM 1222 N VAL A 79 2.676 -10.704 3.118 1.00 0.00 N ATOM 1223 CA VAL A 79 2.971 -11.303 4.413 1.00 0.00 C ATOM 1224 C VAL A 79 2.981 -10.218 5.500 1.00 0.00 C ATOM 1225 O VAL A 79 2.760 -9.046 5.200 1.00 0.00 O ATOM 1226 CB VAL A 79 4.320 -12.069 4.373 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.506 -11.115 4.386 1.00 0.00 C ATOM 1228 CG2 VAL A 79 4.418 -13.085 5.504 1.00 0.00 C ATOM 0 H VAL A 79 3.254 -9.897 2.884 1.00 0.00 H new ATOM 0 HA VAL A 79 2.191 -12.026 4.653 1.00 0.00 H new ATOM 0 HB VAL A 79 4.351 -12.618 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.433 -11.687 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.456 -10.461 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.479 -10.513 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.375 -13.603 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.341 -12.571 6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.608 -13.809 5.414 1.00 0.00 H new ATOM 1238 N HIS A 80 3.223 -10.615 6.752 1.00 0.00 N ATOM 1239 CA HIS A 80 3.223 -9.688 7.885 1.00 0.00 C ATOM 1240 C HIS A 80 4.196 -8.534 7.625 1.00 0.00 C ATOM 1241 O HIS A 80 3.777 -7.395 7.473 1.00 0.00 O ATOM 1242 CB HIS A 80 3.598 -10.450 9.165 1.00 0.00 C ATOM 1243 CG HIS A 80 3.190 -9.773 10.437 1.00 0.00 C ATOM 1244 ND1 HIS A 80 4.089 -9.189 11.302 1.00 0.00 N ATOM 1245 CD2 HIS A 80 1.969 -9.616 11.004 1.00 0.00 C ATOM 1246 CE1 HIS A 80 3.441 -8.703 12.345 1.00 0.00 C ATOM 1247 NE2 HIS A 80 2.156 -8.948 12.188 1.00 0.00 N ATOM 0 H HIS A 80 3.423 -11.582 7.007 1.00 0.00 H new ATOM 0 HA HIS A 80 2.227 -9.262 8.010 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.139 -11.438 9.131 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.677 -10.601 9.179 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.026 -9.953 10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.888 -8.191 13.184 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.419 -8.684 12.841 1.00 0.00 H new ATOM 1256 N MET A 81 5.488 -8.837 7.598 1.00 0.00 N ATOM 1257 CA MET A 81 6.496 -7.932 7.034 1.00 0.00 C ATOM 1258 C MET A 81 6.714 -6.616 7.826 1.00 0.00 C ATOM 1259 O MET A 81 5.804 -6.051 8.430 1.00 0.00 O ATOM 1260 CB MET A 81 6.112 -7.606 5.584 1.00 0.00 C ATOM 1261 CG MET A 81 7.206 -6.923 4.794 1.00 0.00 C ATOM 1262 SD MET A 81 8.600 -8.009 4.437 1.00 0.00 S ATOM 1263 CE MET A 81 9.736 -6.826 3.726 1.00 0.00 C ATOM 0 H MET A 81 5.870 -9.710 7.962 1.00 0.00 H new ATOM 0 HA MET A 81 7.447 -8.462 7.093 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.835 -8.530 5.076 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.229 -6.967 5.588 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.792 -6.552 3.856 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.561 -6.056 5.351 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.443 -7.344 3.078 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.180 -6.092 3.143 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.279 -6.319 4.523 1.00 0.00 H new ATOM 1273 N PRO A 82 7.983 -6.161 7.819 1.00 0.00 N ATOM 1274 CA PRO A 82 8.473 -4.834 8.268 1.00 0.00 C ATOM 1275 C PRO A 82 7.670 -3.582 7.858 1.00 0.00 C ATOM 1276 O PRO A 82 8.148 -2.491 8.104 1.00 0.00 O ATOM 1277 CB PRO A 82 9.873 -4.763 7.675 1.00 0.00 C ATOM 1278 CG PRO A 82 10.338 -6.164 7.727 1.00 0.00 C ATOM 1279 CD PRO A 82 9.132 -6.988 7.385 1.00 0.00 C ATOM 0 HA PRO A 82 8.395 -4.793 9.354 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.858 -4.382 6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.521 -4.103 8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.148 -6.337 7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.720 -6.416 8.716 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.087 -7.201 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.148 -7.948 7.901 1.00 0.00 H new ATOM 1287 N ALA A 83 6.517 -3.741 7.183 1.00 0.00 N ATOM 1288 CA ALA A 83 5.868 -2.698 6.339 1.00 0.00 C ATOM 1289 C ALA A 83 5.992 -1.240 6.816 1.00 0.00 C ATOM 1290 O ALA A 83 6.033 -0.349 5.971 1.00 0.00 O ATOM 1291 CB ALA A 83 4.390 -3.025 6.181 1.00 0.00 C ATOM 0 H ALA A 83 5.992 -4.615 7.204 1.00 0.00 H new ATOM 0 HA ALA A 83 6.421 -2.738 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.913 -2.264 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.282 -3.999 5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.915 -3.047 7.162 1.00 0.00 H new ATOM 1297 N MET A 84 6.061 -0.970 8.110 1.00 0.00 N ATOM 1298 CA MET A 84 6.284 0.409 8.554 1.00 0.00 C ATOM 1299 C MET A 84 7.683 0.882 8.120 1.00 0.00 C ATOM 1300 O MET A 84 7.835 1.963 7.543 1.00 0.00 O ATOM 1301 CB MET A 84 6.050 0.559 10.074 1.00 0.00 C ATOM 1302 CG MET A 84 7.271 0.406 10.981 1.00 0.00 C ATOM 1303 SD MET A 84 8.045 -1.225 10.917 1.00 0.00 S ATOM 1304 CE MET A 84 6.632 -2.311 11.005 1.00 0.00 C ATOM 0 H MET A 84 5.970 -1.659 8.856 1.00 0.00 H new ATOM 0 HA MET A 84 5.552 1.057 8.072 1.00 0.00 H new ATOM 0 HB2 MET A 84 5.614 1.542 10.255 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.308 -0.179 10.377 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.011 1.157 10.705 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.974 0.614 12.009 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.909 -3.228 11.526 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.826 -1.816 11.546 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.296 -2.554 9.997 1.00 0.00 H new ATOM 1314 N LYS A 85 8.688 0.030 8.323 1.00 0.00 N ATOM 1315 CA LYS A 85 10.054 0.322 7.899 1.00 0.00 C ATOM 1316 C LYS A 85 10.119 0.434 6.393 1.00 0.00 C ATOM 1317 O LYS A 85 11.019 1.060 5.850 1.00 0.00 O ATOM 1318 CB LYS A 85 11.026 -0.786 8.313 1.00 0.00 C ATOM 1319 CG LYS A 85 11.006 -1.141 9.780 1.00 0.00 C ATOM 1320 CD LYS A 85 11.949 -2.297 10.069 1.00 0.00 C ATOM 1321 CE LYS A 85 11.829 -2.773 11.503 1.00 0.00 C ATOM 1322 NZ LYS A 85 12.732 -3.919 11.784 1.00 0.00 N ATOM 0 H LYS A 85 8.578 -0.874 8.782 1.00 0.00 H new ATOM 0 HA LYS A 85 10.338 1.258 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.799 -1.682 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.037 -0.481 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.295 -0.273 10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.993 -1.409 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.731 -3.123 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.975 -1.987 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.064 -1.951 12.179 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.798 -3.065 11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.620 -4.215 12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.491 -4.713 11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.718 -3.633 11.618 1.00 0.00 H new ATOM 1336 N ILE A 86 9.175 -0.200 5.713 1.00 0.00 N ATOM 1337 CA ILE A 86 9.212 -0.256 4.266 1.00 0.00 C ATOM 1338 C ILE A 86 9.126 1.141 3.666 1.00 0.00 C ATOM 1339 O ILE A 86 9.674 1.394 2.597 1.00 0.00 O ATOM 1340 CB ILE A 86 8.113 -1.182 3.691 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.379 -2.618 4.151 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.063 -1.103 2.169 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.456 -3.653 3.543 1.00 0.00 C ATOM 0 H ILE A 86 8.381 -0.678 6.139 1.00 0.00 H new ATOM 0 HA ILE A 86 10.171 -0.689 3.983 1.00 0.00 H new ATOM 0 HB ILE A 86 7.142 -0.854 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.409 -2.880 3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.288 -2.661 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.281 -1.765 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.847 -0.079 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.025 -1.409 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.716 -4.641 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.424 -3.421 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.563 -3.643 2.458 1.00 0.00 H new ATOM 1355 N CYS A 87 8.499 2.066 4.380 1.00 0.00 N ATOM 1356 CA CYS A 87 8.444 3.441 3.911 1.00 0.00 C ATOM 1357 C CYS A 87 9.795 4.111 4.134 1.00 0.00 C ATOM 1358 O CYS A 87 10.216 4.962 3.358 1.00 0.00 O ATOM 1359 CB CYS A 87 7.333 4.211 4.615 1.00 0.00 C ATOM 1360 SG CYS A 87 6.944 5.829 3.873 1.00 0.00 S ATOM 0 H CYS A 87 8.030 1.894 5.269 1.00 0.00 H new ATOM 0 HA CYS A 87 8.220 3.442 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.430 3.600 4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.617 4.362 5.656 1.00 0.00 H new ATOM 1365 N GLU A 88 10.480 3.686 5.188 1.00 0.00 N ATOM 1366 CA GLU A 88 11.844 4.121 5.453 1.00 0.00 C ATOM 1367 C GLU A 88 12.769 3.660 4.335 1.00 0.00 C ATOM 1368 O GLU A 88 13.616 4.418 3.861 1.00 0.00 O ATOM 1369 CB GLU A 88 12.313 3.555 6.790 1.00 0.00 C ATOM 1370 CG GLU A 88 11.873 4.369 7.994 1.00 0.00 C ATOM 1371 CD GLU A 88 12.714 5.613 8.179 1.00 0.00 C ATOM 1372 OE1 GLU A 88 12.604 6.541 7.359 1.00 0.00 O ATOM 1373 OE2 GLU A 88 13.516 5.658 9.138 1.00 0.00 O ATOM 0 H GLU A 88 10.108 3.034 5.879 1.00 0.00 H new ATOM 0 HA GLU A 88 11.868 5.210 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.936 2.538 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.401 3.492 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.827 4.653 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.937 3.752 8.891 1.00 0.00 H new ATOM 1380 N LYS A 89 12.594 2.411 3.906 1.00 0.00 N ATOM 1381 CA LYS A 89 13.362 1.886 2.784 1.00 0.00 C ATOM 1382 C LYS A 89 12.948 2.572 1.490 1.00 0.00 C ATOM 1383 O LYS A 89 13.766 2.791 0.604 1.00 0.00 O ATOM 1384 CB LYS A 89 13.212 0.369 2.642 1.00 0.00 C ATOM 1385 CG LYS A 89 14.090 -0.419 3.603 1.00 0.00 C ATOM 1386 CD LYS A 89 13.425 -0.606 4.951 1.00 0.00 C ATOM 1387 CE LYS A 89 12.291 -1.610 4.866 1.00 0.00 C ATOM 1388 NZ LYS A 89 12.796 -2.974 4.559 1.00 0.00 N ATOM 0 H LYS A 89 11.933 1.751 4.316 1.00 0.00 H new ATOM 0 HA LYS A 89 14.412 2.097 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.170 0.098 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.457 0.082 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.317 -1.394 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.040 0.099 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.162 -0.945 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.042 0.350 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.746 -1.626 5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.585 -1.300 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.082 -3.679 4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.985 -3.053 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.675 -3.146 5.088 1.00 0.00 H new ATOM 1402 N LEU A 90 11.668 2.914 1.395 1.00 0.00 N ATOM 1403 CA LEU A 90 11.146 3.630 0.237 1.00 0.00 C ATOM 1404 C LEU A 90 11.762 5.011 0.120 1.00 0.00 C ATOM 1405 O LEU A 90 11.946 5.521 -0.982 1.00 0.00 O ATOM 1406 CB LEU A 90 9.625 3.742 0.316 1.00 0.00 C ATOM 1407 CG LEU A 90 8.872 2.547 -0.257 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.377 2.692 -0.031 1.00 0.00 C ATOM 1409 CD2 LEU A 90 9.181 2.415 -1.738 1.00 0.00 C ATOM 0 H LEU A 90 10.970 2.706 2.109 1.00 0.00 H new ATOM 0 HA LEU A 90 11.414 3.060 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.337 3.871 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.312 4.641 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 90 9.199 1.643 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.860 1.828 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.175 2.754 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.021 3.599 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.642 1.560 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.870 3.322 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.252 2.268 -1.874 1.00 0.00 H new ATOM 1421 N LYS A 91 12.095 5.604 1.259 1.00 0.00 N ATOM 1422 CA LYS A 91 12.726 6.914 1.284 1.00 0.00 C ATOM 1423 C LYS A 91 14.133 6.851 0.694 1.00 0.00 C ATOM 1424 O LYS A 91 14.716 7.874 0.328 1.00 0.00 O ATOM 1425 CB LYS A 91 12.761 7.457 2.714 1.00 0.00 C ATOM 1426 CG LYS A 91 11.388 7.832 3.251 1.00 0.00 C ATOM 1427 CD LYS A 91 11.382 7.957 4.768 1.00 0.00 C ATOM 1428 CE LYS A 91 12.340 9.030 5.258 1.00 0.00 C ATOM 1429 NZ LYS A 91 12.388 9.086 6.740 1.00 0.00 N ATOM 0 H LYS A 91 11.937 5.195 2.180 1.00 0.00 H new ATOM 0 HA LYS A 91 12.135 7.593 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.207 6.708 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.408 8.334 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.072 8.777 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.662 7.078 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.373 8.190 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.654 6.999 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.339 8.832 4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.032 10.000 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.219 9.635 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.524 9.541 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.455 8.121 7.122 1.00 0.00 H new ATOM 1443 N LYS A 92 14.669 5.641 0.600 1.00 0.00 N ATOM 1444 CA LYS A 92 15.964 5.415 -0.026 1.00 0.00 C ATOM 1445 C LYS A 92 15.821 5.476 -1.546 1.00 0.00 C ATOM 1446 O LYS A 92 16.770 5.792 -2.265 1.00 0.00 O ATOM 1447 CB LYS A 92 16.522 4.060 0.423 1.00 0.00 C ATOM 1448 CG LYS A 92 17.876 3.701 -0.165 1.00 0.00 C ATOM 1449 CD LYS A 92 18.457 2.476 0.523 1.00 0.00 C ATOM 1450 CE LYS A 92 19.754 2.024 -0.124 1.00 0.00 C ATOM 1451 NZ LYS A 92 19.522 1.395 -1.450 1.00 0.00 N ATOM 0 H LYS A 92 14.222 4.795 0.953 1.00 0.00 H new ATOM 0 HA LYS A 92 16.663 6.193 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.602 4.058 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.807 3.282 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.774 3.509 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.559 4.543 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.635 2.701 1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.732 1.663 0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 92 20.419 2.880 -0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.258 1.314 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.417 1.009 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.828 0.626 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.158 2.108 -2.114 1.00 0.00 H new ATOM 1465 N LEU A 93 14.617 5.186 -2.024 1.00 0.00 N ATOM 1466 CA LEU A 93 14.302 5.297 -3.442 1.00 0.00 C ATOM 1467 C LEU A 93 13.817 6.706 -3.752 1.00 0.00 C ATOM 1468 O LEU A 93 14.336 7.378 -4.642 1.00 0.00 O ATOM 1469 CB LEU A 93 13.221 4.284 -3.857 1.00 0.00 C ATOM 1470 CG LEU A 93 13.652 2.812 -3.914 1.00 0.00 C ATOM 1471 CD1 LEU A 93 13.880 2.246 -2.521 1.00 0.00 C ATOM 1472 CD2 LEU A 93 12.610 1.990 -4.655 1.00 0.00 C ATOM 0 H LEU A 93 13.838 4.870 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 93 15.210 5.082 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.387 4.369 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.845 4.568 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 93 14.598 2.759 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.184 1.202 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.663 2.816 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.957 2.314 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.926 0.947 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.654 2.062 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.502 2.370 -5.671 1.00 0.00 H new ATOM 1484 N ASP A 94 12.827 7.147 -2.992 1.00 0.00 N ATOM 1485 CA ASP A 94 12.237 8.468 -3.165 1.00 0.00 C ATOM 1486 C ASP A 94 11.968 9.076 -1.794 1.00 0.00 C ATOM 1487 O ASP A 94 11.463 8.406 -0.904 1.00 0.00 O ATOM 1488 CB ASP A 94 10.931 8.353 -3.958 1.00 0.00 C ATOM 1489 CG ASP A 94 10.349 9.700 -4.341 1.00 0.00 C ATOM 1490 OD1 ASP A 94 9.839 10.409 -3.454 1.00 0.00 O ATOM 1491 OD2 ASP A 94 10.388 10.044 -5.543 1.00 0.00 O ATOM 0 H ASP A 94 12.409 6.601 -2.238 1.00 0.00 H new ATOM 0 HA ASP A 94 12.924 9.110 -3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.111 7.771 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.200 7.803 -3.365 1.00 0.00 H new ATOM 1496 N SER A 95 12.330 10.331 -1.612 1.00 0.00 N ATOM 1497 CA SER A 95 12.185 10.975 -0.315 1.00 0.00 C ATOM 1498 C SER A 95 10.786 11.566 -0.122 1.00 0.00 C ATOM 1499 O SER A 95 10.277 11.627 0.998 1.00 0.00 O ATOM 1500 CB SER A 95 13.249 12.058 -0.153 1.00 0.00 C ATOM 1501 OG SER A 95 14.548 11.513 -0.322 1.00 0.00 O ATOM 0 H SER A 95 12.725 10.925 -2.341 1.00 0.00 H new ATOM 0 HA SER A 95 12.322 10.214 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.083 12.850 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.165 12.512 0.834 1.00 0.00 H new ATOM 0 HG SER A 95 15.216 12.222 -0.216 1.00 0.00 H new ATOM 1507 N GLN A 96 10.163 11.984 -1.212 1.00 0.00 N ATOM 1508 CA GLN A 96 8.890 12.689 -1.140 1.00 0.00 C ATOM 1509 C GLN A 96 7.708 11.721 -1.100 1.00 0.00 C ATOM 1510 O GLN A 96 6.589 12.118 -0.773 1.00 0.00 O ATOM 1511 CB GLN A 96 8.744 13.669 -2.309 1.00 0.00 C ATOM 1512 CG GLN A 96 9.629 14.905 -2.189 1.00 0.00 C ATOM 1513 CD GLN A 96 11.110 14.605 -2.335 1.00 0.00 C ATOM 1514 OE1 GLN A 96 11.509 13.701 -3.070 1.00 0.00 O ATOM 1515 NE2 GLN A 96 11.933 15.345 -1.614 1.00 0.00 N ATOM 0 H GLN A 96 10.517 11.848 -2.159 1.00 0.00 H new ATOM 0 HA GLN A 96 8.884 13.255 -0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.983 13.151 -3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.703 13.984 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.336 15.628 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.455 15.374 -1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.563 16.085 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 96 12.938 15.177 -1.654 1.00 0.00 H new ATOM 1524 N ILE A 97 7.959 10.460 -1.437 1.00 0.00 N ATOM 1525 CA ILE A 97 6.927 9.419 -1.380 1.00 0.00 C ATOM 1526 C ILE A 97 6.378 9.267 0.041 1.00 0.00 C ATOM 1527 O ILE A 97 5.231 8.880 0.242 1.00 0.00 O ATOM 1528 CB ILE A 97 7.475 8.053 -1.867 1.00 0.00 C ATOM 1529 CG1 ILE A 97 6.376 6.987 -1.864 1.00 0.00 C ATOM 1530 CG2 ILE A 97 8.636 7.598 -0.997 1.00 0.00 C ATOM 1531 CD1 ILE A 97 6.828 5.651 -2.414 1.00 0.00 C ATOM 0 H ILE A 97 8.870 10.129 -1.754 1.00 0.00 H new ATOM 0 HA ILE A 97 6.121 9.732 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 97 7.829 8.185 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.018 6.848 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.531 7.346 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.005 6.637 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.437 8.336 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.299 7.494 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.998 4.945 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.159 5.775 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.653 5.270 -1.812 1.00 0.00 H new ATOM 1543 N CYS A 98 7.206 9.593 1.018 1.00 0.00 N ATOM 1544 CA CYS A 98 6.836 9.450 2.416 1.00 0.00 C ATOM 1545 C CYS A 98 6.028 10.657 2.886 1.00 0.00 C ATOM 1546 O CYS A 98 5.144 10.534 3.738 1.00 0.00 O ATOM 1547 CB CYS A 98 8.103 9.292 3.263 1.00 0.00 C ATOM 1548 SG CYS A 98 7.808 8.959 5.030 1.00 0.00 S ATOM 0 H CYS A 98 8.145 9.961 0.868 1.00 0.00 H new ATOM 0 HA CYS A 98 6.213 8.563 2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 98 8.700 8.479 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.698 10.201 3.174 1.00 0.00 H new ATOM 1553 N GLU A 99 6.314 11.810 2.297 1.00 0.00 N ATOM 1554 CA GLU A 99 5.764 13.078 2.757 1.00 0.00 C ATOM 1555 C GLU A 99 4.298 13.252 2.367 1.00 0.00 C ATOM 1556 O GLU A 99 3.408 12.778 3.080 1.00 0.00 O ATOM 1557 CB GLU A 99 6.595 14.233 2.202 1.00 0.00 C ATOM 1558 CG GLU A 99 7.991 14.326 2.794 1.00 0.00 C ATOM 1559 CD GLU A 99 7.968 14.726 4.253 1.00 0.00 C ATOM 1560 OE1 GLU A 99 7.363 15.770 4.570 1.00 0.00 O ATOM 1561 OE2 GLU A 99 8.566 14.010 5.083 1.00 0.00 O ATOM 0 H GLU A 99 6.932 11.893 1.490 1.00 0.00 H new ATOM 0 HA GLU A 99 5.809 13.078 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.676 14.123 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.069 15.169 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.492 13.364 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.576 15.052 2.229 1.00 0.00 H new ATOM 1568 N LEU A 100 4.059 13.928 1.238 1.00 0.00 N ATOM 1569 CA LEU A 100 2.711 14.335 0.821 1.00 0.00 C ATOM 1570 C LEU A 100 2.133 15.359 1.797 1.00 0.00 C ATOM 1571 O LEU A 100 1.976 16.531 1.451 1.00 0.00 O ATOM 1572 CB LEU A 100 1.770 13.126 0.682 1.00 0.00 C ATOM 1573 CG LEU A 100 1.737 12.463 -0.702 1.00 0.00 C ATOM 1574 CD1 LEU A 100 1.109 13.397 -1.726 1.00 0.00 C ATOM 1575 CD2 LEU A 100 3.136 12.058 -1.146 1.00 0.00 C ATOM 0 H LEU A 100 4.793 14.209 0.588 1.00 0.00 H new ATOM 0 HA LEU A 100 2.796 14.799 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.062 12.376 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.759 13.445 0.936 1.00 0.00 H new ATOM 0 HG LEU A 100 1.128 11.562 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.094 12.910 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.089 13.636 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.693 14.315 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.085 11.591 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.772 12.942 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.555 11.351 -0.430 1.00 0.00 H new ATOM 1587 N LYS A 101 1.847 14.906 3.018 1.00 0.00 N ATOM 1588 CA LYS A 101 1.347 15.758 4.099 1.00 0.00 C ATOM 1589 C LYS A 101 -0.025 16.339 3.774 1.00 0.00 C ATOM 1590 O LYS A 101 -0.193 17.111 2.829 1.00 0.00 O ATOM 1591 CB LYS A 101 2.349 16.873 4.410 1.00 0.00 C ATOM 1592 CG LYS A 101 3.705 16.351 4.862 1.00 0.00 C ATOM 1593 CD LYS A 101 3.567 15.457 6.085 1.00 0.00 C ATOM 1594 CE LYS A 101 4.894 14.835 6.487 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.929 15.860 6.777 1.00 0.00 N ATOM 0 H LYS A 101 1.957 13.928 3.288 1.00 0.00 H new ATOM 0 HA LYS A 101 1.233 15.133 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.482 17.491 3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.937 17.517 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.172 15.793 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.363 17.189 5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.173 16.040 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.844 14.668 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.748 14.209 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.245 14.183 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.657 15.452 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.368 16.172 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.488 16.675 7.249 1.00 0.00 H new ATOM 1609 N TYR A 102 -1.004 15.965 4.596 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.378 16.418 4.427 1.00 0.00 C ATOM 1611 C TYR A 102 -2.437 17.932 4.514 1.00 0.00 C ATOM 1612 O TYR A 102 -2.966 18.599 3.628 1.00 0.00 O ATOM 1613 CB TYR A 102 -3.286 15.821 5.504 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.346 14.312 5.511 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -4.096 13.621 4.567 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.669 13.578 6.476 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -4.164 12.242 4.584 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.737 12.200 6.503 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.485 11.538 5.555 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.566 10.168 5.586 1.00 0.00 O ATOM 0 H TYR A 102 -0.866 15.343 5.393 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.725 16.087 3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.942 16.162 6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.295 16.211 5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.634 14.171 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.079 14.095 7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.746 11.718 3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.207 11.644 7.263 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.833 9.876 6.483 1.00 0.00 H new ATOM 1630 N GLU A 103 -1.886 18.461 5.593 1.00 0.00 N ATOM 1631 CA GLU A 103 -1.813 19.896 5.793 1.00 0.00 C ATOM 1632 C GLU A 103 -0.416 20.289 6.238 1.00 0.00 C ATOM 1633 O GLU A 103 0.253 19.539 6.951 1.00 0.00 O ATOM 1634 CB GLU A 103 -2.848 20.358 6.820 1.00 0.00 C ATOM 1635 CG GLU A 103 -4.282 20.248 6.330 1.00 0.00 C ATOM 1636 CD GLU A 103 -5.275 20.799 7.324 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -5.536 22.019 7.298 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -5.806 20.012 8.137 1.00 0.00 O ATOM 0 H GLU A 103 -1.479 17.911 6.350 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.035 20.387 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.737 19.765 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.643 21.394 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.382 20.783 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.515 19.202 6.130 1.00 0.00 H new ATOM 1645 N LYS A 104 0.025 21.455 5.797 1.00 0.00 N ATOM 1646 CA LYS A 104 1.351 21.955 6.130 1.00 0.00 C ATOM 1647 C LYS A 104 1.394 23.475 6.002 1.00 0.00 C ATOM 1648 O LYS A 104 2.461 24.079 5.872 1.00 0.00 O ATOM 1649 CB LYS A 104 2.412 21.285 5.247 1.00 0.00 C ATOM 1650 CG LYS A 104 1.997 21.112 3.792 1.00 0.00 C ATOM 1651 CD LYS A 104 2.960 20.198 3.052 1.00 0.00 C ATOM 1652 CE LYS A 104 2.524 19.949 1.615 1.00 0.00 C ATOM 1653 NZ LYS A 104 1.215 19.246 1.525 1.00 0.00 N ATOM 0 H LYS A 104 -0.520 22.079 5.202 1.00 0.00 H new ATOM 0 HA LYS A 104 1.574 21.703 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.326 21.878 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.650 20.306 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.990 20.698 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.965 22.085 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.956 20.641 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.033 19.246 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.457 20.902 1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.285 19.358 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.918 19.192 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.310 18.285 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.502 19.769 2.072 1.00 0.00 H new ATOM 1667 N THR A 105 0.213 24.073 6.045 1.00 0.00 N ATOM 1668 CA THR A 105 0.057 25.515 6.004 1.00 0.00 C ATOM 1669 C THR A 105 -1.284 25.899 6.636 1.00 0.00 C ATOM 1670 O THR A 105 -2.340 25.567 6.056 1.00 0.00 O ATOM 1671 CB THR A 105 0.172 26.069 4.559 1.00 0.00 C ATOM 1672 OG1 THR A 105 -0.139 27.469 4.527 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.732 25.321 3.589 1.00 0.00 C ATOM 1674 OXT THR A 105 -1.276 26.497 7.732 1.00 0.00 O ATOM 0 H THR A 105 -0.669 23.565 6.110 1.00 0.00 H new ATOM 0 HA THR A 105 0.868 25.966 6.577 1.00 0.00 H new ATOM 0 HB THR A 105 1.204 25.920 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.060 27.801 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.620 25.741 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.455 24.267 3.573 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.769 25.419 3.909 1.00 0.00 H new TER 1682 THR A 105