USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1400 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 Single : A 1 MET CE :methyl 147:sc= -0.408 (180deg=-2.2!) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.0287) USER MOD Single : A 3 LYS NZ :NH3+ 159:sc=-0.00991 (180deg=-0.13) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 0.229 (180deg=0.0322) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -4.35 K(o=-4.3,f=-8.2!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0757 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -1:sc= 0.0197 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 29 ASN : amide:sc= -8.19! C(o=-8.2!,f=-8.5!) USER MOD Single : A 31 GLN : amide:sc= -3.52! C(o=-3.5!,f=-9.4!) USER MOD Single : A 33 CYS SG : rot 32:sc= -6.08! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -10.7! C(o=-11!,f=-19!) USER MOD Single : A 41 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-6.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 130:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.58 K(o=-1.6,f=-3.8!) USER MOD Single : A 56 TYR OH : rot -14:sc= 0.413 USER MOD Single : A 61 TYR OH : rot 16:sc= 0.693 USER MOD Single : A 62 THR OG1 : rot 30:sc= 0.104! USER MOD Single : A 64 HIS : no HD1:sc= -0.295 K(o=-0.3,f=-4.3!) USER MOD Single : A 66 SER OG : rot -120:sc= 0.0191 USER MOD Single : A 67 SER OG : rot -153:sc= 0.294 USER MOD Single : A 69 LYS NZ :NH3+ -132:sc= 0.818 (180deg=-0.361) USER MOD Single : A 72 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.33) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 146:sc= -0.516 (180deg=-2.39!) USER MOD Single : B 1 MET N :NH3+ 170:sc= 0 (180deg=-0.0703) USER MOD Single : B 3 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.132) USER MOD Single : B 7 LYS NZ :NH3+ -168:sc= 0.182 (180deg=-0.00852) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -4.45 K(o=-4.5,f=-8.3!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.00759 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -0:sc= 0.0166 USER MOD Single : B 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 SER OG : rot 180:sc= 0.00258 USER MOD Single : B 29 ASN : amide:sc= -8.1! C(o=-8.1!,f=-8.3!) USER MOD Single : B 31 GLN : amide:sc= -3.93! C(o=-3.9!,f=-9.5!) USER MOD Single : B 33 CYS SG : rot 120:sc= -6.16! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -10.6! C(o=-11!,f=-19!) USER MOD Single : B 41 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-6.2!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 130:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.8!) USER MOD Single : B 56 TYR OH : rot -16:sc= 0.37 USER MOD Single : B 61 TYR OH : rot 15:sc= 0.7 USER MOD Single : B 62 THR OG1 : rot 44:sc= 0.11! USER MOD Single : B 64 HIS : no HD1:sc= -0.327 K(o=-0.33,f=-4.5!) USER MOD Single : B 66 SER OG : rot -120:sc= 0.0198 USER MOD Single : B 67 SER OG : rot -143:sc= 0.224 USER MOD Single : B 69 LYS NZ :NH3+ -131:sc= 0.751 (180deg=-0.267) USER MOD Single : B 72 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.35) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.026 18.157 3.719 1.00 42.32 N ATOM 2 CA MET A 1 -1.593 17.793 3.904 1.00 40.89 C ATOM 3 C MET A 1 -1.475 16.703 4.967 1.00 34.75 C ATOM 4 O MET A 1 -1.914 16.868 6.087 1.00 33.97 O ATOM 5 CB MET A 1 -0.806 19.024 4.363 1.00 48.45 C ATOM 6 CG MET A 1 0.607 18.608 4.787 1.00 56.13 C ATOM 7 SD MET A 1 1.818 19.495 3.777 1.00 64.91 S ATOM 8 CE MET A 1 1.210 21.166 4.110 1.00 63.43 C ATOM 0 H1 MET A 1 -3.096 18.988 3.098 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.534 17.359 3.287 1.00 42.32 H new ATOM 0 H3 MET A 1 -3.450 18.378 4.643 1.00 42.32 H new ATOM 0 HA MET A 1 -1.191 17.430 2.958 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.753 19.755 3.556 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.319 19.505 5.196 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.763 18.831 5.842 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.734 17.532 4.666 1.00 56.13 H new ATOM 0 HE1 MET A 1 2.047 21.864 4.114 1.00 63.43 H new ATOM 0 HE2 MET A 1 0.500 21.456 3.336 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.716 21.187 5.082 1.00 63.43 H new ATOM 20 N ILE A 2 -0.868 15.597 4.634 1.00 28.59 N ATOM 21 CA ILE A 2 -0.704 14.513 5.640 1.00 24.58 C ATOM 22 C ILE A 2 0.192 15.049 6.754 1.00 19.29 C ATOM 23 O ILE A 2 1.378 14.793 6.798 1.00 19.53 O ATOM 24 CB ILE A 2 -0.056 13.299 4.978 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.755 13.009 3.652 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.195 12.083 5.888 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.295 12.668 2.601 1.00 33.80 C ATOM 0 H ILE A 2 -0.480 15.399 3.712 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.668 14.208 6.047 1.00 24.58 H new ATOM 0 HB ILE A 2 0.999 13.507 4.803 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.454 12.181 3.768 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.337 13.875 3.336 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.268 11.218 5.413 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.298 12.282 6.839 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.251 11.878 6.063 1.00 23.06 H new ATOM 0 HD11 ILE A 2 -0.196 12.459 1.650 1.00 33.80 H new ATOM 0 HD12 ILE A 2 0.976 13.510 2.480 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.857 11.790 2.920 1.00 33.80 H new ATOM 39 N LYS A 3 -0.373 15.831 7.629 1.00 18.14 N ATOM 40 CA LYS A 3 0.422 16.447 8.727 1.00 16.66 C ATOM 41 C LYS A 3 0.844 15.410 9.763 1.00 14.94 C ATOM 42 O LYS A 3 0.500 14.248 9.690 1.00 13.94 O ATOM 43 CB LYS A 3 -0.422 17.523 9.415 1.00 16.94 C ATOM 44 CG LYS A 3 -0.160 18.882 8.761 1.00 17.85 C ATOM 45 CD LYS A 3 -0.423 19.995 9.778 1.00 19.63 C ATOM 46 CE LYS A 3 -1.528 20.917 9.257 1.00 26.28 C ATOM 47 NZ LYS A 3 -2.817 20.169 9.206 1.00 32.72 N ATOM 0 H LYS A 3 -1.364 16.073 7.630 1.00 18.14 H new ATOM 0 HA LYS A 3 1.322 16.882 8.292 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.480 17.271 9.341 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.178 17.567 10.476 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.869 18.935 8.406 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.804 19.010 7.891 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -0.716 19.564 10.735 1.00 19.63 H new ATOM 0 HD3 LYS A 3 0.489 20.566 9.951 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.626 21.787 9.906 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.270 21.286 8.264 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -3.609 20.843 9.204 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -2.850 19.593 8.341 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -2.892 19.549 10.038 1.00 32.72 H new ATOM 61 N VAL A 4 1.594 15.851 10.735 1.00 12.42 N ATOM 62 CA VAL A 4 2.067 14.942 11.810 1.00 12.99 C ATOM 63 C VAL A 4 2.991 15.724 12.743 1.00 14.26 C ATOM 64 O VAL A 4 3.474 16.790 12.416 1.00 13.80 O ATOM 65 CB VAL A 4 2.822 13.752 11.195 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.610 14.231 9.984 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.786 13.140 12.222 1.00 10.41 C ATOM 0 H VAL A 4 1.902 16.819 10.829 1.00 12.42 H new ATOM 0 HA VAL A 4 1.216 14.559 12.372 1.00 12.99 H new ATOM 0 HB VAL A 4 2.101 12.992 10.894 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.147 13.391 9.544 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.925 14.650 9.247 1.00 14.46 H new ATOM 0 HG13 VAL A 4 4.323 14.996 10.293 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.312 12.299 11.771 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.508 13.893 12.537 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.223 12.793 13.088 1.00 10.41 H new ATOM 77 N GLU A 5 3.234 15.194 13.901 1.00 9.27 N ATOM 78 CA GLU A 5 4.122 15.882 14.876 1.00 10.51 C ATOM 79 C GLU A 5 5.034 14.858 15.525 1.00 10.00 C ATOM 80 O GLU A 5 4.615 14.052 16.330 1.00 10.96 O ATOM 81 CB GLU A 5 3.273 16.558 15.951 1.00 10.42 C ATOM 82 CG GLU A 5 2.761 17.892 15.419 1.00 18.68 C ATOM 83 CD GLU A 5 1.533 18.327 16.221 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.728 17.470 16.546 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.419 19.510 16.497 1.00 19.38 O ATOM 0 H GLU A 5 2.853 14.304 14.221 1.00 9.27 H new ATOM 0 HA GLU A 5 4.719 16.634 14.361 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.436 15.917 16.227 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.864 16.715 16.853 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.542 18.648 15.492 1.00 18.68 H new ATOM 0 HG3 GLU A 5 2.505 17.800 14.364 1.00 18.68 H new ATOM 92 N ILE A 6 6.284 14.884 15.186 1.00 9.86 N ATOM 93 CA ILE A 6 7.216 13.905 15.803 1.00 10.60 C ATOM 94 C ILE A 6 7.433 14.312 17.269 1.00 10.16 C ATOM 95 O ILE A 6 8.191 15.213 17.569 1.00 11.64 O ATOM 96 CB ILE A 6 8.542 13.865 15.007 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.494 12.689 14.026 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.736 13.675 15.939 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.245 13.205 12.609 1.00 13.81 C ATOM 0 H ILE A 6 6.701 15.531 14.517 1.00 9.86 H new ATOM 0 HA ILE A 6 6.800 12.898 15.776 1.00 10.60 H new ATOM 0 HB ILE A 6 8.658 14.811 14.478 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.432 12.136 14.061 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.704 11.995 14.314 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.655 13.650 15.353 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.780 14.502 16.648 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.627 12.737 16.483 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.212 12.364 11.916 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.295 13.739 12.578 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.050 13.881 12.321 1.00 13.81 H new ATOM 111 N LYS A 7 6.754 13.659 18.182 1.00 11.63 N ATOM 112 CA LYS A 7 6.895 14.003 19.622 1.00 11.59 C ATOM 113 C LYS A 7 8.374 14.189 19.971 1.00 12.98 C ATOM 114 O LYS A 7 9.238 13.882 19.174 1.00 9.79 O ATOM 115 CB LYS A 7 6.290 12.865 20.446 1.00 12.52 C ATOM 116 CG LYS A 7 4.858 13.227 20.856 1.00 14.26 C ATOM 117 CD LYS A 7 4.082 13.760 19.646 1.00 15.70 C ATOM 118 CE LYS A 7 2.858 14.540 20.129 1.00 19.19 C ATOM 119 NZ LYS A 7 2.244 15.263 18.980 1.00 25.43 N ATOM 0 H LYS A 7 6.105 12.898 17.984 1.00 11.63 H new ATOM 0 HA LYS A 7 6.375 14.936 19.842 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.290 11.943 19.865 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.897 12.683 21.333 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.355 12.350 21.263 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.876 13.978 21.646 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.723 14.404 19.044 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.771 12.934 19.007 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.132 13.859 20.574 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.148 15.248 20.905 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 1.570 15.971 19.335 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 2.988 15.739 18.431 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 1.745 14.585 18.370 1.00 25.43 H new ATOM 133 N PRO A 8 8.620 14.689 21.157 1.00 13.56 N ATOM 134 CA PRO A 8 9.990 14.930 21.640 1.00 11.93 C ATOM 135 C PRO A 8 10.655 13.603 21.989 1.00 10.20 C ATOM 136 O PRO A 8 11.858 13.454 21.909 1.00 12.05 O ATOM 137 CB PRO A 8 9.791 15.812 22.876 1.00 12.78 C ATOM 138 CG PRO A 8 8.338 15.576 23.349 1.00 12.51 C ATOM 139 CD PRO A 8 7.563 15.048 22.126 1.00 13.61 C ATOM 0 HA PRO A 8 10.639 15.406 20.904 1.00 11.93 H new ATOM 0 HB2 PRO A 8 10.502 15.550 23.659 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.956 16.862 22.635 1.00 12.78 H new ATOM 0 HG2 PRO A 8 8.308 14.857 24.168 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.895 16.500 23.720 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.950 14.185 22.385 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.892 15.806 21.722 1.00 13.61 H new ATOM 147 N SER A 9 9.873 12.632 22.350 1.00 10.65 N ATOM 148 CA SER A 9 10.442 11.299 22.677 1.00 10.83 C ATOM 149 C SER A 9 10.572 10.492 21.382 1.00 10.94 C ATOM 150 O SER A 9 11.068 9.383 21.375 1.00 13.16 O ATOM 151 CB SER A 9 9.515 10.566 23.649 1.00 13.01 C ATOM 152 OG SER A 9 8.660 9.697 22.918 1.00 15.52 O ATOM 0 H SER A 9 8.859 12.703 22.434 1.00 10.65 H new ATOM 0 HA SER A 9 11.420 11.417 23.143 1.00 10.83 H new ATOM 0 HB2 SER A 9 10.102 9.996 24.369 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.923 11.284 24.217 1.00 13.01 H new ATOM 0 HG SER A 9 8.066 9.225 23.538 1.00 15.52 H new ATOM 158 N GLN A 10 10.132 11.049 20.284 1.00 10.02 N ATOM 159 CA GLN A 10 10.231 10.330 18.987 1.00 11.55 C ATOM 160 C GLN A 10 11.107 11.139 18.032 1.00 13.72 C ATOM 161 O GLN A 10 10.804 11.276 16.865 1.00 17.31 O ATOM 162 CB GLN A 10 8.842 10.172 18.370 1.00 6.60 C ATOM 163 CG GLN A 10 7.816 9.908 19.468 1.00 7.20 C ATOM 164 CD GLN A 10 7.871 8.437 19.882 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.898 7.798 19.763 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.801 7.869 20.367 1.00 4.80 N ATOM 0 H GLN A 10 9.707 11.975 20.233 1.00 10.02 H new ATOM 0 HA GLN A 10 10.666 9.345 19.156 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.574 11.073 17.818 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.843 9.349 17.655 1.00 6.60 H new ATOM 0 HG2 GLN A 10 8.018 10.546 20.329 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.816 10.159 19.113 1.00 7.20 H new ATOM 0 HE21 GLN A 10 5.939 8.406 20.467 1.00 4.80 H new ATOM 0 HE22 GLN A 10 6.826 6.888 20.646 1.00 4.80 H new ATOM 175 N ALA A 11 12.183 11.694 18.518 1.00 15.28 N ATOM 176 CA ALA A 11 13.062 12.505 17.627 1.00 18.95 C ATOM 177 C ALA A 11 14.327 11.717 17.282 1.00 20.75 C ATOM 178 O ALA A 11 15.296 12.264 16.793 1.00 24.78 O ATOM 179 CB ALA A 11 13.448 13.803 18.336 1.00 17.72 C ATOM 0 H ALA A 11 12.491 11.622 19.488 1.00 15.28 H new ATOM 0 HA ALA A 11 12.523 12.736 16.708 1.00 18.95 H new ATOM 0 HB1 ALA A 11 14.090 14.396 17.685 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.548 14.370 18.572 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.982 13.570 19.257 1.00 17.72 H new ATOM 185 N GLN A 12 14.328 10.437 17.529 1.00 22.50 N ATOM 186 CA GLN A 12 15.531 9.620 17.211 1.00 25.43 C ATOM 187 C GLN A 12 15.100 8.254 16.684 1.00 22.80 C ATOM 188 O GLN A 12 14.092 7.710 17.089 1.00 20.93 O ATOM 189 CB GLN A 12 16.367 9.436 18.474 1.00 30.18 C ATOM 190 CG GLN A 12 17.313 10.623 18.615 1.00 42.11 C ATOM 191 CD GLN A 12 18.240 10.404 19.812 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.024 10.958 20.872 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.270 9.613 19.687 1.00 47.90 N ATOM 0 H GLN A 12 13.548 9.922 17.937 1.00 22.50 H new ATOM 0 HA GLN A 12 16.123 10.130 16.451 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.719 9.364 19.348 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.934 8.506 18.419 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.901 10.742 17.705 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.742 11.542 18.748 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.451 9.148 18.797 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.894 9.459 20.479 1.00 47.90 H new ATOM 202 N PHE A 13 15.857 7.693 15.782 1.00 21.61 N ATOM 203 CA PHE A 13 15.492 6.366 15.230 1.00 20.51 C ATOM 204 C PHE A 13 16.204 5.272 16.019 1.00 18.83 C ATOM 205 O PHE A 13 17.208 5.505 16.661 1.00 18.83 O ATOM 206 CB PHE A 13 15.944 6.290 13.777 1.00 19.56 C ATOM 207 CG PHE A 13 17.428 6.571 13.729 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.343 5.553 14.022 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.888 7.854 13.406 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.716 5.819 13.989 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.258 8.119 13.375 1.00 14.07 C ATOM 212 CZ PHE A 13 20.171 7.103 13.665 1.00 18.48 C ATOM 0 H PHE A 13 16.713 8.100 15.405 1.00 21.61 H new ATOM 0 HA PHE A 13 14.413 6.229 15.299 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.730 5.304 13.363 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.400 7.015 13.171 1.00 19.56 H new ATOM 0 HD1 PHE A 13 17.990 4.564 14.273 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.182 8.639 13.181 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.424 5.035 14.213 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.612 9.109 13.127 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.231 7.308 13.639 1.00 18.48 H new ATOM 222 N THR A 14 15.703 4.075 15.955 1.00 14.89 N ATOM 223 CA THR A 14 16.357 2.955 16.676 1.00 13.37 C ATOM 224 C THR A 14 16.431 1.755 15.738 1.00 11.97 C ATOM 225 O THR A 14 15.742 1.694 14.739 1.00 10.76 O ATOM 226 CB THR A 14 15.549 2.588 17.922 1.00 13.68 C ATOM 227 OG1 THR A 14 16.173 1.496 18.582 1.00 13.48 O ATOM 228 CG2 THR A 14 14.129 2.197 17.515 1.00 9.24 C ATOM 0 H THR A 14 14.865 3.823 15.432 1.00 14.89 H new ATOM 0 HA THR A 14 17.359 3.251 16.988 1.00 13.37 H new ATOM 0 HB THR A 14 15.507 3.445 18.595 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.658 1.260 19.382 1.00 13.48 H new ATOM 0 HG21 THR A 14 13.555 1.936 18.404 1.00 9.24 H new ATOM 0 HG22 THR A 14 13.652 3.036 17.008 1.00 9.24 H new ATOM 0 HG23 THR A 14 14.166 1.340 16.842 1.00 9.24 H new ATOM 236 N THR A 15 17.259 0.802 16.044 1.00 13.20 N ATOM 237 CA THR A 15 17.369 -0.388 15.158 1.00 12.54 C ATOM 238 C THR A 15 16.417 -1.476 15.658 1.00 14.34 C ATOM 239 O THR A 15 16.536 -1.950 16.771 1.00 17.35 O ATOM 240 CB THR A 15 18.806 -0.913 15.186 1.00 11.88 C ATOM 241 OG1 THR A 15 19.650 0.054 15.795 1.00 17.15 O ATOM 242 CG2 THR A 15 19.281 -1.182 13.758 1.00 8.30 C ATOM 0 H THR A 15 17.863 0.793 16.866 1.00 13.20 H new ATOM 0 HA THR A 15 17.105 -0.112 14.137 1.00 12.54 H new ATOM 0 HB THR A 15 18.844 -1.840 15.758 1.00 11.88 H new ATOM 0 HG1 THR A 15 20.571 -0.282 15.815 1.00 17.15 H new ATOM 0 HG21 THR A 15 20.305 -1.556 13.779 1.00 8.30 H new ATOM 0 HG22 THR A 15 18.633 -1.925 13.293 1.00 8.30 H new ATOM 0 HG23 THR A 15 19.244 -0.257 13.182 1.00 8.30 H new ATOM 250 N ARG A 16 15.473 -1.877 14.852 1.00 15.28 N ATOM 251 CA ARG A 16 14.521 -2.932 15.298 1.00 15.21 C ATOM 252 C ARG A 16 14.120 -3.811 14.112 1.00 16.91 C ATOM 253 O ARG A 16 13.095 -3.608 13.492 1.00 17.29 O ATOM 254 CB ARG A 16 13.273 -2.277 15.894 1.00 15.77 C ATOM 255 CG ARG A 16 13.140 -2.675 17.365 1.00 21.61 C ATOM 256 CD ARG A 16 12.681 -4.131 17.463 1.00 24.15 C ATOM 257 NE ARG A 16 12.088 -4.376 18.808 1.00 30.82 N ATOM 258 CZ ARG A 16 11.371 -5.446 19.025 1.00 29.13 C ATOM 259 NH1 ARG A 16 11.174 -6.310 18.066 1.00 34.38 N ATOM 260 NH2 ARG A 16 10.851 -5.654 20.204 1.00 25.71 N ATOM 0 H ARG A 16 15.320 -1.522 13.908 1.00 15.28 H new ATOM 0 HA ARG A 16 15.004 -3.551 16.054 1.00 15.21 H new ATOM 0 HB2 ARG A 16 13.341 -1.193 15.804 1.00 15.77 H new ATOM 0 HB3 ARG A 16 12.387 -2.588 15.341 1.00 15.77 H new ATOM 0 HG2 ARG A 16 14.096 -2.549 17.874 1.00 21.61 H new ATOM 0 HG3 ARG A 16 12.424 -2.023 17.865 1.00 21.61 H new ATOM 0 HD2 ARG A 16 11.947 -4.345 16.686 1.00 24.15 H new ATOM 0 HD3 ARG A 16 13.525 -4.801 17.298 1.00 24.15 H new ATOM 0 HE ARG A 16 12.242 -3.706 19.561 1.00 30.82 H new ATOM 0 HH11 ARG A 16 11.581 -6.150 17.144 1.00 34.38 H new ATOM 0 HH12 ARG A 16 10.614 -7.145 18.239 1.00 34.38 H new ATOM 0 HH21 ARG A 16 11.005 -4.981 20.955 1.00 25.71 H new ATOM 0 HH22 ARG A 16 10.291 -6.489 20.374 1.00 25.71 H new ATOM 274 N SER A 17 14.918 -4.794 13.801 1.00 22.35 N ATOM 275 CA SER A 17 14.586 -5.703 12.666 1.00 28.62 C ATOM 276 C SER A 17 14.381 -4.894 11.385 1.00 31.32 C ATOM 277 O SER A 17 14.159 -3.700 11.415 1.00 33.90 O ATOM 278 CB SER A 17 13.303 -6.473 12.991 1.00 30.78 C ATOM 279 OG SER A 17 13.479 -7.186 14.208 1.00 38.77 O ATOM 0 H SER A 17 15.790 -5.009 14.285 1.00 22.35 H new ATOM 0 HA SER A 17 15.409 -6.402 12.517 1.00 28.62 H new ATOM 0 HB2 SER A 17 12.463 -5.783 13.078 1.00 30.78 H new ATOM 0 HB3 SER A 17 13.065 -7.164 12.182 1.00 30.78 H new ATOM 0 HG SER A 17 12.659 -7.679 14.420 1.00 38.77 H new ATOM 285 N GLY A 18 14.456 -5.548 10.260 1.00 32.28 N ATOM 286 CA GLY A 18 14.270 -4.841 8.961 1.00 32.82 C ATOM 287 C GLY A 18 14.388 -5.847 7.817 1.00 34.58 C ATOM 288 O GLY A 18 14.949 -6.910 7.975 1.00 34.04 O ATOM 0 H GLY A 18 14.639 -6.548 10.183 1.00 32.28 H new ATOM 0 HA2 GLY A 18 13.294 -4.356 8.934 1.00 32.82 H new ATOM 0 HA3 GLY A 18 15.019 -4.057 8.850 1.00 32.82 H new ATOM 292 N VAL A 19 13.878 -5.516 6.661 1.00 36.31 N ATOM 293 CA VAL A 19 13.984 -6.456 5.509 1.00 38.94 C ATOM 294 C VAL A 19 13.825 -5.678 4.202 1.00 39.44 C ATOM 295 O VAL A 19 12.806 -5.066 3.951 1.00 39.08 O ATOM 296 CB VAL A 19 12.894 -7.530 5.596 1.00 39.83 C ATOM 297 CG1 VAL A 19 13.429 -8.844 5.020 1.00 41.87 C ATOM 298 CG2 VAL A 19 12.487 -7.745 7.058 1.00 39.95 C ATOM 0 H VAL A 19 13.395 -4.639 6.465 1.00 36.31 H new ATOM 0 HA VAL A 19 14.961 -6.939 5.537 1.00 38.94 H new ATOM 0 HB VAL A 19 12.024 -7.204 5.026 1.00 39.83 H new ATOM 0 HG11 VAL A 19 12.655 -9.610 5.081 1.00 41.87 H new ATOM 0 HG12 VAL A 19 13.712 -8.696 3.978 1.00 41.87 H new ATOM 0 HG13 VAL A 19 14.301 -9.163 5.591 1.00 41.87 H new ATOM 0 HG21 VAL A 19 11.712 -8.510 7.111 1.00 39.95 H new ATOM 0 HG22 VAL A 19 13.355 -8.067 7.634 1.00 39.95 H new ATOM 0 HG23 VAL A 19 12.104 -6.811 7.470 1.00 39.95 H new ATOM 308 N SER A 20 14.828 -5.697 3.368 1.00 41.09 N ATOM 309 CA SER A 20 14.740 -4.961 2.077 1.00 44.70 C ATOM 310 C SER A 20 13.547 -5.481 1.270 1.00 47.21 C ATOM 311 O SER A 20 12.508 -4.856 1.207 1.00 47.07 O ATOM 312 CB SER A 20 16.027 -5.175 1.280 1.00 44.37 C ATOM 313 OG SER A 20 17.115 -4.583 1.977 1.00 46.57 O ATOM 0 H SER A 20 15.706 -6.192 3.526 1.00 41.09 H new ATOM 0 HA SER A 20 14.607 -3.897 2.275 1.00 44.70 H new ATOM 0 HB2 SER A 20 16.208 -6.241 1.138 1.00 44.37 H new ATOM 0 HB3 SER A 20 15.932 -4.733 0.288 1.00 44.37 H new ATOM 0 HG SER A 20 16.786 -4.160 2.798 1.00 46.57 H new ATOM 319 N ARG A 21 13.690 -6.621 0.650 1.00 50.78 N ATOM 320 CA ARG A 21 12.566 -7.179 -0.154 1.00 55.55 C ATOM 321 C ARG A 21 12.298 -8.623 0.276 1.00 55.58 C ATOM 322 O ARG A 21 12.409 -9.545 -0.507 1.00 54.47 O ATOM 323 CB ARG A 21 12.934 -7.154 -1.639 1.00 59.49 C ATOM 324 CG ARG A 21 13.607 -5.822 -1.987 1.00 60.53 C ATOM 325 CD ARG A 21 14.593 -6.030 -3.139 1.00 64.36 C ATOM 326 NE ARG A 21 15.911 -5.434 -2.779 1.00 68.68 N ATOM 327 CZ ARG A 21 16.980 -5.742 -3.464 1.00 71.11 C ATOM 328 NH1 ARG A 21 16.900 -6.573 -4.468 1.00 70.71 N ATOM 329 NH2 ARG A 21 18.131 -5.218 -3.144 1.00 71.56 N ATOM 0 H ARG A 21 14.537 -7.190 0.666 1.00 50.78 H new ATOM 0 HA ARG A 21 11.673 -6.576 0.010 1.00 55.55 H new ATOM 0 HB2 ARG A 21 13.605 -7.982 -1.870 1.00 59.49 H new ATOM 0 HB3 ARG A 21 12.039 -7.289 -2.247 1.00 59.49 H new ATOM 0 HG2 ARG A 21 12.854 -5.085 -2.268 1.00 60.53 H new ATOM 0 HG3 ARG A 21 14.129 -5.428 -1.115 1.00 60.53 H new ATOM 0 HD2 ARG A 21 14.707 -7.094 -3.346 1.00 64.36 H new ATOM 0 HD3 ARG A 21 14.209 -5.568 -4.048 1.00 64.36 H new ATOM 0 HE ARG A 21 15.978 -4.784 -1.996 1.00 68.68 H new ATOM 0 HH11 ARG A 21 16.001 -6.984 -4.720 1.00 70.71 H new ATOM 0 HH12 ARG A 21 17.737 -6.811 -5.001 1.00 70.71 H new ATOM 0 HH21 ARG A 21 18.195 -4.569 -2.360 1.00 71.56 H new ATOM 0 HH22 ARG A 21 18.966 -5.458 -3.678 1.00 71.56 H new ATOM 343 N GLN A 22 11.948 -8.828 1.517 1.00 57.32 N ATOM 344 CA GLN A 22 11.677 -10.212 1.999 1.00 58.73 C ATOM 345 C GLN A 22 12.807 -11.142 1.548 1.00 58.18 C ATOM 346 O GLN A 22 12.634 -12.341 1.446 1.00 59.52 O ATOM 347 CB GLN A 22 10.347 -10.704 1.424 1.00 62.32 C ATOM 348 CG GLN A 22 9.205 -10.279 2.350 1.00 65.12 C ATOM 349 CD GLN A 22 8.530 -11.521 2.937 1.00 66.38 C ATOM 350 OE1 GLN A 22 7.381 -11.794 2.652 1.00 66.60 O ATOM 351 NE2 GLN A 22 9.200 -12.290 3.751 1.00 65.96 N ATOM 0 H GLN A 22 11.838 -8.096 2.218 1.00 57.32 H new ATOM 0 HA GLN A 22 11.622 -10.212 3.088 1.00 58.73 H new ATOM 0 HB2 GLN A 22 10.194 -10.291 0.427 1.00 62.32 H new ATOM 0 HB3 GLN A 22 10.362 -11.789 1.321 1.00 62.32 H new ATOM 0 HG2 GLN A 22 9.589 -9.648 3.152 1.00 65.12 H new ATOM 0 HG3 GLN A 22 8.478 -9.684 1.797 1.00 65.12 H new ATOM 0 HE21 GLN A 22 10.165 -12.061 3.991 1.00 65.96 H new ATOM 0 HE22 GLN A 22 8.759 -13.120 4.148 1.00 65.96 H new ATOM 360 N GLY A 23 13.964 -10.600 1.282 1.00 55.49 N ATOM 361 CA GLY A 23 15.106 -11.449 0.845 1.00 50.89 C ATOM 362 C GLY A 23 16.077 -11.624 2.013 1.00 48.17 C ATOM 363 O GLY A 23 16.569 -12.705 2.271 1.00 50.32 O ATOM 0 H GLY A 23 14.167 -9.603 1.349 1.00 55.49 H new ATOM 0 HA2 GLY A 23 14.745 -12.421 0.508 1.00 50.89 H new ATOM 0 HA3 GLY A 23 15.615 -10.987 -0.001 1.00 50.89 H new ATOM 367 N LYS A 24 16.353 -10.566 2.724 1.00 44.99 N ATOM 368 CA LYS A 24 17.286 -10.659 3.881 1.00 42.22 C ATOM 369 C LYS A 24 16.975 -9.527 4.865 1.00 42.41 C ATOM 370 O LYS A 24 16.382 -8.534 4.494 1.00 42.26 O ATOM 371 CB LYS A 24 18.730 -10.535 3.390 1.00 40.33 C ATOM 372 CG LYS A 24 18.781 -9.616 2.167 1.00 40.86 C ATOM 373 CD LYS A 24 20.075 -8.800 2.194 1.00 37.00 C ATOM 374 CE LYS A 24 20.735 -8.840 0.814 1.00 36.58 C ATOM 375 NZ LYS A 24 21.345 -7.514 0.516 1.00 34.22 N ATOM 0 H LYS A 24 15.970 -9.636 2.552 1.00 44.99 H new ATOM 0 HA LYS A 24 17.162 -11.621 4.378 1.00 42.22 H new ATOM 0 HB2 LYS A 24 19.361 -10.136 4.184 1.00 40.33 H new ATOM 0 HB3 LYS A 24 19.123 -11.519 3.134 1.00 40.33 H new ATOM 0 HG2 LYS A 24 18.731 -10.207 1.253 1.00 40.86 H new ATOM 0 HG3 LYS A 24 17.919 -8.950 2.164 1.00 40.86 H new ATOM 0 HD2 LYS A 24 19.861 -7.769 2.476 1.00 37.00 H new ATOM 0 HD3 LYS A 24 20.755 -9.202 2.945 1.00 37.00 H new ATOM 0 HE2 LYS A 24 21.498 -9.618 0.787 1.00 36.58 H new ATOM 0 HE3 LYS A 24 19.996 -9.092 0.053 1.00 36.58 H new ATOM 0 HZ1 LYS A 24 21.794 -7.541 -0.422 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 20.606 -6.782 0.525 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 22.062 -7.292 1.236 1.00 34.22 H new ATOM 389 N PRO A 25 17.382 -9.713 6.094 1.00 42.36 N ATOM 390 CA PRO A 25 17.156 -8.725 7.161 1.00 40.32 C ATOM 391 C PRO A 25 18.134 -7.553 7.032 1.00 36.91 C ATOM 392 O PRO A 25 19.183 -7.673 6.431 1.00 36.63 O ATOM 393 CB PRO A 25 17.409 -9.513 8.445 1.00 42.73 C ATOM 394 CG PRO A 25 18.291 -10.713 8.047 1.00 43.71 C ATOM 395 CD PRO A 25 18.103 -10.922 6.533 1.00 44.10 C ATOM 0 HA PRO A 25 16.159 -8.286 7.128 1.00 40.32 H new ATOM 0 HB2 PRO A 25 17.908 -8.893 9.190 1.00 42.73 H new ATOM 0 HB3 PRO A 25 16.471 -9.849 8.887 1.00 42.73 H new ATOM 0 HG2 PRO A 25 19.337 -10.519 8.283 1.00 43.71 H new ATOM 0 HG3 PRO A 25 18.000 -11.606 8.599 1.00 43.71 H new ATOM 0 HD2 PRO A 25 19.060 -11.024 6.022 1.00 44.10 H new ATOM 0 HD3 PRO A 25 17.532 -11.826 6.323 1.00 44.10 H new ATOM 403 N TYR A 26 17.801 -6.418 7.590 1.00 32.09 N ATOM 404 CA TYR A 26 18.721 -5.249 7.492 1.00 27.86 C ATOM 405 C TYR A 26 18.377 -4.217 8.562 1.00 26.29 C ATOM 406 O TYR A 26 18.314 -3.041 8.279 1.00 28.07 O ATOM 407 CB TYR A 26 18.607 -4.619 6.096 1.00 23.99 C ATOM 408 CG TYR A 26 17.377 -3.730 5.981 1.00 24.09 C ATOM 409 CD1 TYR A 26 16.278 -3.902 6.827 1.00 24.19 C ATOM 410 CD2 TYR A 26 17.350 -2.733 4.996 1.00 24.63 C ATOM 411 CE1 TYR A 26 15.152 -3.076 6.691 1.00 24.77 C ATOM 412 CE2 TYR A 26 16.226 -1.911 4.859 1.00 24.84 C ATOM 413 CZ TYR A 26 15.128 -2.083 5.707 1.00 24.25 C ATOM 414 OH TYR A 26 14.020 -1.272 5.571 1.00 29.25 O ATOM 0 H TYR A 26 16.937 -6.252 8.106 1.00 32.09 H new ATOM 0 HA TYR A 26 19.745 -5.587 7.651 1.00 27.86 H new ATOM 0 HB2 TYR A 26 19.501 -4.032 5.887 1.00 23.99 H new ATOM 0 HB3 TYR A 26 18.559 -5.406 5.344 1.00 23.99 H new ATOM 0 HD1 TYR A 26 16.295 -4.671 7.585 1.00 24.19 H new ATOM 0 HD2 TYR A 26 18.199 -2.599 4.341 1.00 24.63 H new ATOM 0 HE1 TYR A 26 14.304 -3.207 7.346 1.00 24.77 H new ATOM 0 HE2 TYR A 26 16.207 -1.144 4.099 1.00 24.84 H new ATOM 0 HH TYR A 26 14.168 -0.635 4.841 1.00 29.25 H new ATOM 424 N SER A 27 18.160 -4.674 9.776 1.00 24.52 N ATOM 425 CA SER A 27 17.806 -3.774 10.933 1.00 22.20 C ATOM 426 C SER A 27 17.910 -2.293 10.552 1.00 20.52 C ATOM 427 O SER A 27 18.833 -1.606 10.941 1.00 23.07 O ATOM 428 CB SER A 27 18.759 -4.060 12.093 1.00 25.30 C ATOM 429 OG SER A 27 19.165 -5.421 12.043 1.00 29.25 O ATOM 0 H SER A 27 18.215 -5.662 10.022 1.00 24.52 H new ATOM 0 HA SER A 27 16.774 -3.977 11.219 1.00 22.20 H new ATOM 0 HB2 SER A 27 19.629 -3.407 12.033 1.00 25.30 H new ATOM 0 HB3 SER A 27 18.267 -3.850 13.043 1.00 25.30 H new ATOM 0 HG SER A 27 19.778 -5.607 12.785 1.00 29.25 H new ATOM 435 N LEU A 28 16.976 -1.801 9.783 1.00 18.57 N ATOM 436 CA LEU A 28 17.025 -0.374 9.365 1.00 16.31 C ATOM 437 C LEU A 28 16.544 0.525 10.506 1.00 14.21 C ATOM 438 O LEU A 28 15.651 0.176 11.253 1.00 16.97 O ATOM 439 CB LEU A 28 16.121 -0.185 8.149 1.00 16.48 C ATOM 440 CG LEU A 28 16.912 0.448 7.005 1.00 22.19 C ATOM 441 CD1 LEU A 28 17.357 1.856 7.405 1.00 24.00 C ATOM 442 CD2 LEU A 28 18.141 -0.411 6.696 1.00 22.01 C ATOM 0 H LEU A 28 16.180 -2.329 9.426 1.00 18.57 H new ATOM 0 HA LEU A 28 18.051 -0.103 9.114 1.00 16.31 H new ATOM 0 HB2 LEU A 28 15.715 -1.146 7.834 1.00 16.48 H new ATOM 0 HB3 LEU A 28 15.273 0.448 8.410 1.00 16.48 H new ATOM 0 HG LEU A 28 16.280 0.508 6.119 1.00 22.19 H new ATOM 0 HD11 LEU A 28 17.921 2.305 6.588 1.00 24.00 H new ATOM 0 HD12 LEU A 28 16.481 2.467 7.620 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.987 1.800 8.293 1.00 24.00 H new ATOM 0 HD21 LEU A 28 18.705 0.041 5.880 1.00 22.01 H new ATOM 0 HD22 LEU A 28 18.773 -0.474 7.582 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.822 -1.412 6.406 1.00 22.01 H new ATOM 454 N ASN A 29 17.128 1.684 10.640 1.00 11.64 N ATOM 455 CA ASN A 29 16.711 2.617 11.724 1.00 9.77 C ATOM 456 C ASN A 29 15.225 2.956 11.563 1.00 7.94 C ATOM 457 O ASN A 29 14.775 3.322 10.496 1.00 10.52 O ATOM 458 CB ASN A 29 17.530 3.905 11.624 1.00 14.73 C ATOM 459 CG ASN A 29 18.975 3.629 12.045 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.246 2.668 12.736 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.921 4.438 11.652 1.00 12.89 N ATOM 0 H ASN A 29 17.880 2.026 10.042 1.00 11.64 H new ATOM 0 HA ASN A 29 16.877 2.146 12.693 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.505 4.286 10.603 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.095 4.675 12.262 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.888 4.263 11.925 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.693 5.245 11.072 1.00 12.89 H new ATOM 468 N GLU A 30 14.462 2.845 12.616 1.00 8.58 N ATOM 469 CA GLU A 30 13.009 3.168 12.525 1.00 13.16 C ATOM 470 C GLU A 30 12.684 4.284 13.523 1.00 12.26 C ATOM 471 O GLU A 30 13.343 4.435 14.533 1.00 10.58 O ATOM 472 CB GLU A 30 12.189 1.922 12.863 1.00 14.93 C ATOM 473 CG GLU A 30 12.519 0.811 11.863 1.00 27.13 C ATOM 474 CD GLU A 30 12.945 -0.449 12.619 1.00 33.28 C ATOM 475 OE1 GLU A 30 14.078 -0.490 13.070 1.00 38.01 O ATOM 476 OE2 GLU A 30 12.132 -1.351 12.734 1.00 40.03 O ATOM 0 H GLU A 30 14.782 2.544 13.537 1.00 8.58 H new ATOM 0 HA GLU A 30 12.764 3.496 11.515 1.00 13.16 H new ATOM 0 HB2 GLU A 30 12.411 1.591 13.878 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.124 2.153 12.829 1.00 14.93 H new ATOM 0 HG2 GLU A 30 11.650 0.598 11.241 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.317 1.134 11.195 1.00 27.13 H new ATOM 483 N GLN A 31 11.679 5.072 13.251 1.00 10.34 N ATOM 484 CA GLN A 31 11.328 6.179 14.188 1.00 9.46 C ATOM 485 C GLN A 31 9.818 6.184 14.442 1.00 10.09 C ATOM 486 O GLN A 31 9.106 5.283 14.046 1.00 9.36 O ATOM 487 CB GLN A 31 11.740 7.518 13.566 1.00 7.25 C ATOM 488 CG GLN A 31 12.545 8.334 14.578 1.00 10.62 C ATOM 489 CD GLN A 31 11.678 9.476 15.110 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.679 9.241 15.761 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.017 10.712 14.855 1.00 12.39 N ATOM 0 H GLN A 31 11.087 4.998 12.423 1.00 10.34 H new ATOM 0 HA GLN A 31 11.853 6.032 15.132 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.335 7.345 12.669 1.00 7.25 H new ATOM 0 HB3 GLN A 31 10.854 8.074 13.259 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.871 7.696 15.400 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.444 8.733 14.108 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.856 10.908 14.309 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.443 11.480 15.202 1.00 12.39 H new ATOM 500 N LEU A 32 9.328 7.201 15.095 1.00 6.80 N ATOM 501 CA LEU A 32 7.866 7.284 15.374 1.00 10.34 C ATOM 502 C LEU A 32 7.360 8.670 14.959 1.00 9.02 C ATOM 503 O LEU A 32 8.131 9.525 14.571 1.00 11.15 O ATOM 504 CB LEU A 32 7.622 7.067 16.870 1.00 10.20 C ATOM 505 CG LEU A 32 7.643 5.570 17.187 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.016 5.186 17.746 1.00 17.42 C ATOM 507 CD2 LEU A 32 6.563 5.256 18.226 1.00 15.89 C ATOM 0 H LEU A 32 9.880 7.982 15.449 1.00 6.80 H new ATOM 0 HA LEU A 32 7.333 6.518 14.811 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.387 7.582 17.451 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.662 7.495 17.157 1.00 10.20 H new ATOM 0 HG LEU A 32 7.450 5.002 16.277 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.032 4.120 17.972 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.786 5.412 17.008 1.00 17.42 H new ATOM 0 HD13 LEU A 32 9.210 5.753 18.657 1.00 17.42 H new ATOM 0 HD21 LEU A 32 6.576 4.190 18.453 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.758 5.824 19.136 1.00 15.89 H new ATOM 0 HD23 LEU A 32 5.586 5.530 17.829 1.00 15.89 H new ATOM 519 N CYS A 33 6.075 8.905 15.030 1.00 9.68 N ATOM 520 CA CYS A 33 5.543 10.236 14.633 1.00 8.10 C ATOM 521 C CYS A 33 4.066 10.302 15.003 1.00 6.34 C ATOM 522 O CYS A 33 3.434 9.294 15.238 1.00 8.02 O ATOM 523 CB CYS A 33 5.687 10.458 13.119 1.00 8.88 C ATOM 524 SG CYS A 33 6.115 8.915 12.269 1.00 13.84 S ATOM 0 H CYS A 33 5.376 8.233 15.345 1.00 9.68 H new ATOM 0 HA CYS A 33 6.109 11.009 15.153 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.754 10.852 12.716 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.457 11.206 12.930 1.00 8.88 H new ATOM 0 HG CYS A 33 5.586 7.910 12.902 1.00 13.84 H new ATOM 530 N TYR A 34 3.507 11.476 15.054 1.00 7.35 N ATOM 531 CA TYR A 34 2.067 11.599 15.411 1.00 7.08 C ATOM 532 C TYR A 34 1.306 12.145 14.206 1.00 7.71 C ATOM 533 O TYR A 34 1.174 13.340 14.037 1.00 7.80 O ATOM 534 CB TYR A 34 1.913 12.576 16.573 1.00 8.67 C ATOM 535 CG TYR A 34 2.027 11.859 17.901 1.00 9.11 C ATOM 536 CD1 TYR A 34 2.891 10.774 18.061 1.00 13.61 C ATOM 537 CD2 TYR A 34 1.263 12.314 18.986 1.00 12.44 C ATOM 538 CE1 TYR A 34 2.987 10.141 19.305 1.00 17.22 C ATOM 539 CE2 TYR A 34 1.359 11.681 20.223 1.00 16.38 C ATOM 540 CZ TYR A 34 2.218 10.598 20.382 1.00 16.83 C ATOM 541 OH TYR A 34 2.314 9.971 21.608 1.00 21.14 O ATOM 0 H TYR A 34 3.984 12.357 14.864 1.00 7.35 H new ATOM 0 HA TYR A 34 1.675 10.623 15.697 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.678 13.350 16.506 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.947 13.076 16.507 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.483 10.425 17.228 1.00 13.61 H new ATOM 0 HD2 TYR A 34 0.599 13.157 18.862 1.00 12.44 H new ATOM 0 HE1 TYR A 34 3.653 9.301 19.434 1.00 17.22 H new ATOM 0 HE2 TYR A 34 0.768 12.030 21.057 1.00 16.38 H new ATOM 0 HH TYR A 34 1.716 10.411 22.248 1.00 21.14 H new ATOM 551 N VAL A 35 0.817 11.287 13.360 1.00 9.44 N ATOM 552 CA VAL A 35 0.081 11.772 12.159 1.00 10.66 C ATOM 553 C VAL A 35 -1.406 11.916 12.471 1.00 10.57 C ATOM 554 O VAL A 35 -2.074 10.961 12.813 1.00 8.31 O ATOM 555 CB VAL A 35 0.260 10.781 11.010 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.563 11.248 9.807 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.740 10.716 10.624 1.00 9.86 C ATOM 0 H VAL A 35 0.893 10.273 13.445 1.00 9.44 H new ATOM 0 HA VAL A 35 0.482 12.744 11.873 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.078 9.792 11.320 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.438 10.543 8.985 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.616 11.299 10.084 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.222 12.235 9.494 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.872 10.010 9.804 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.078 11.704 10.310 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.326 10.388 11.483 1.00 9.86 H new ATOM 567 N ASP A 36 -1.935 13.104 12.346 1.00 8.58 N ATOM 568 CA ASP A 36 -3.372 13.301 12.618 1.00 11.48 C ATOM 569 C ASP A 36 -4.173 12.589 11.531 1.00 12.38 C ATOM 570 O ASP A 36 -5.264 12.109 11.759 1.00 11.89 O ATOM 571 CB ASP A 36 -3.700 14.796 12.607 1.00 16.17 C ATOM 572 CG ASP A 36 -2.774 15.529 13.579 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.681 15.099 14.717 1.00 15.67 O ATOM 574 OD2 ASP A 36 -2.173 16.509 13.168 1.00 25.89 O ATOM 0 H ASP A 36 -1.426 13.943 12.066 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.626 12.893 13.596 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.580 15.198 11.601 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.741 14.953 12.891 1.00 16.17 H new ATOM 579 N LEU A 37 -3.629 12.515 10.346 1.00 13.17 N ATOM 580 CA LEU A 37 -4.347 11.833 9.236 1.00 18.47 C ATOM 581 C LEU A 37 -5.786 12.338 9.180 1.00 21.14 C ATOM 582 O LEU A 37 -6.692 11.622 8.803 1.00 24.24 O ATOM 583 CB LEU A 37 -4.348 10.326 9.476 1.00 15.81 C ATOM 584 CG LEU A 37 -4.848 9.616 8.220 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.671 8.931 7.523 1.00 14.72 C ATOM 586 CD2 LEU A 37 -5.895 8.568 8.607 1.00 20.01 C ATOM 0 H LEU A 37 -2.716 12.899 10.100 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.845 12.049 8.293 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.343 9.985 9.725 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.987 10.082 10.325 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.298 10.343 7.544 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.025 8.423 6.626 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -2.927 9.678 7.247 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.222 8.203 8.199 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.252 8.062 7.710 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.447 7.839 9.282 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.732 9.057 9.105 1.00 20.01 H new ATOM 598 N GLY A 38 -6.003 13.565 9.556 1.00 20.70 N ATOM 599 CA GLY A 38 -7.382 14.115 9.527 1.00 23.91 C ATOM 600 C GLY A 38 -8.218 13.451 10.627 1.00 26.50 C ATOM 601 O GLY A 38 -9.422 13.602 10.683 1.00 31.02 O ATOM 0 H GLY A 38 -5.284 14.211 9.882 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.358 15.195 9.675 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.836 13.937 8.552 1.00 23.91 H new ATOM 605 N ASN A 39 -7.586 12.705 11.499 1.00 27.64 N ATOM 606 CA ASN A 39 -8.338 12.019 12.588 1.00 30.27 C ATOM 607 C ASN A 39 -8.602 12.981 13.752 1.00 26.79 C ATOM 608 O ASN A 39 -8.978 12.572 14.832 1.00 26.87 O ATOM 609 CB ASN A 39 -7.527 10.821 13.095 1.00 35.62 C ATOM 610 CG ASN A 39 -6.892 10.084 11.912 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.235 10.333 10.774 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.972 9.181 12.136 1.00 39.63 N ATOM 0 H ASN A 39 -6.579 12.543 11.501 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.294 11.679 12.189 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.752 11.160 13.782 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.173 10.143 13.653 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.542 8.686 11.355 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.684 8.972 13.092 1.00 39.63 H new ATOM 619 N GLU A 40 -8.417 14.252 13.541 1.00 25.15 N ATOM 620 CA GLU A 40 -8.667 15.241 14.635 1.00 23.81 C ATOM 621 C GLU A 40 -7.808 14.901 15.859 1.00 21.12 C ATOM 622 O GLU A 40 -8.037 15.392 16.947 1.00 19.86 O ATOM 623 CB GLU A 40 -10.145 15.201 15.023 1.00 27.22 C ATOM 624 CG GLU A 40 -11.000 15.114 13.757 1.00 34.87 C ATOM 625 CD GLU A 40 -12.454 15.443 14.098 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.676 16.449 14.751 1.00 42.34 O ATOM 627 OE2 GLU A 40 -13.321 14.684 13.699 1.00 39.54 O ATOM 0 H GLU A 40 -8.103 14.654 12.658 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.404 16.239 14.283 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.340 14.343 15.667 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.407 16.093 15.592 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.626 15.808 13.005 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.933 14.114 13.329 1.00 34.87 H new ATOM 634 N HIS A 41 -6.818 14.074 15.684 1.00 2.82 N ATOM 635 CA HIS A 41 -5.927 13.696 16.820 1.00 2.73 C ATOM 636 C HIS A 41 -4.678 13.047 16.233 1.00 1.96 C ATOM 637 O HIS A 41 -4.751 12.434 15.190 1.00 1.09 O ATOM 638 CB HIS A 41 -6.641 12.692 17.731 1.00 3.31 C ATOM 639 CG HIS A 41 -7.706 13.395 18.524 1.00 3.15 C ATOM 640 ND1 HIS A 41 -9.029 13.431 18.117 1.00 3.62 N ATOM 641 CD2 HIS A 41 -7.658 14.090 19.706 1.00 4.40 C ATOM 642 CE1 HIS A 41 -9.719 14.126 19.039 1.00 5.36 C ATOM 643 NE2 HIS A 41 -8.931 14.551 20.030 1.00 6.16 N ATOM 0 H HIS A 41 -6.583 13.637 14.793 1.00 2.82 H new ATOM 0 HA HIS A 41 -5.667 14.577 17.407 1.00 2.73 H new ATOM 0 HB2 HIS A 41 -7.085 11.896 17.133 1.00 3.31 H new ATOM 0 HB3 HIS A 41 -5.923 12.223 18.404 1.00 3.31 H new ATOM 0 HD2 HIS A 41 -6.768 14.254 20.295 1.00 4.40 H new ATOM 0 HE1 HIS A 41 -10.781 14.317 18.985 1.00 5.36 H new ATOM 0 HE2 HIS A 41 -9.203 15.096 20.848 1.00 6.16 H new ATOM 651 N PRO A 42 -3.567 13.198 16.903 1.00 15.11 N ATOM 652 CA PRO A 42 -2.299 12.632 16.429 1.00 16.08 C ATOM 653 C PRO A 42 -2.269 11.131 16.647 1.00 17.92 C ATOM 654 O PRO A 42 -2.799 10.619 17.613 1.00 17.13 O ATOM 655 CB PRO A 42 -1.244 13.298 17.301 1.00 16.41 C ATOM 656 CG PRO A 42 -1.975 13.766 18.577 1.00 13.79 C ATOM 657 CD PRO A 42 -3.465 13.917 18.190 1.00 16.28 C ATOM 0 HA PRO A 42 -2.144 12.802 15.364 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.443 12.600 17.545 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.786 14.141 16.783 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.854 13.042 19.383 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.568 14.712 18.934 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.121 13.482 18.945 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.748 14.965 18.087 1.00 16.28 H new ATOM 665 N VAL A 43 -1.637 10.421 15.768 1.00 16.29 N ATOM 666 CA VAL A 43 -1.556 8.960 15.937 1.00 14.28 C ATOM 667 C VAL A 43 -0.096 8.550 15.948 1.00 9.00 C ATOM 668 O VAL A 43 0.615 8.709 14.977 1.00 7.99 O ATOM 669 CB VAL A 43 -2.275 8.271 14.784 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.694 8.829 14.656 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.506 8.524 13.484 1.00 20.57 C ATOM 0 H VAL A 43 -1.173 10.792 14.939 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.029 8.668 16.875 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.326 7.199 14.976 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.206 8.335 13.831 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.240 8.649 15.582 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.647 9.901 14.464 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -2.018 8.032 12.657 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.456 9.596 13.294 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.496 8.124 13.575 1.00 20.57 H new ATOM 681 N LEU A 44 0.360 8.024 17.041 1.00 10.19 N ATOM 682 CA LEU A 44 1.773 7.609 17.107 1.00 11.55 C ATOM 683 C LEU A 44 1.972 6.406 16.191 1.00 10.61 C ATOM 684 O LEU A 44 1.569 5.301 16.497 1.00 13.49 O ATOM 685 CB LEU A 44 2.131 7.241 18.535 1.00 10.60 C ATOM 686 CG LEU A 44 3.580 6.771 18.578 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.474 7.786 17.860 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.026 6.635 20.035 1.00 20.21 C ATOM 0 H LEU A 44 -0.185 7.865 17.888 1.00 10.19 H new ATOM 0 HA LEU A 44 2.418 8.426 16.785 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.995 8.101 19.191 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.469 6.455 18.898 1.00 10.60 H new ATOM 0 HG LEU A 44 3.663 5.805 18.080 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.509 7.446 17.893 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.156 7.881 16.822 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.394 8.755 18.354 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.062 6.299 20.068 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.942 7.601 20.533 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.392 5.908 20.543 1.00 20.21 H new ATOM 700 N VAL A 45 2.579 6.620 15.065 1.00 10.81 N ATOM 701 CA VAL A 45 2.799 5.502 14.110 1.00 9.29 C ATOM 702 C VAL A 45 4.299 5.327 13.875 1.00 9.95 C ATOM 703 O VAL A 45 5.092 6.195 14.186 1.00 9.36 O ATOM 704 CB VAL A 45 2.088 5.818 12.790 1.00 4.64 C ATOM 705 CG1 VAL A 45 2.821 6.947 12.064 1.00 7.95 C ATOM 706 CG2 VAL A 45 2.067 4.568 11.905 1.00 10.20 C ATOM 0 H VAL A 45 2.936 7.526 14.760 1.00 10.81 H new ATOM 0 HA VAL A 45 2.394 4.576 14.519 1.00 9.29 H new ATOM 0 HB VAL A 45 1.065 6.131 13.000 1.00 4.64 H new ATOM 0 HG11 VAL A 45 2.311 7.168 11.126 1.00 7.95 H new ATOM 0 HG12 VAL A 45 2.829 7.838 12.691 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.846 6.641 11.856 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.561 4.795 10.967 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.089 4.251 11.698 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.536 3.767 12.419 1.00 10.20 H new ATOM 716 N LYS A 46 4.696 4.204 13.346 1.00 10.76 N ATOM 717 CA LYS A 46 6.147 3.961 13.110 1.00 12.81 C ATOM 718 C LYS A 46 6.588 4.615 11.798 1.00 13.35 C ATOM 719 O LYS A 46 5.795 4.862 10.911 1.00 12.90 O ATOM 720 CB LYS A 46 6.400 2.453 13.034 1.00 17.04 C ATOM 721 CG LYS A 46 7.508 2.061 14.014 1.00 26.60 C ATOM 722 CD LYS A 46 7.094 0.799 14.773 1.00 33.77 C ATOM 723 CE LYS A 46 6.167 1.177 15.930 1.00 34.48 C ATOM 724 NZ LYS A 46 6.918 1.099 17.214 1.00 36.74 N ATOM 0 H LYS A 46 4.078 3.442 13.066 1.00 10.76 H new ATOM 0 HA LYS A 46 6.718 4.394 13.931 1.00 12.81 H new ATOM 0 HB2 LYS A 46 5.485 1.910 13.270 1.00 17.04 H new ATOM 0 HB3 LYS A 46 6.684 2.174 12.019 1.00 17.04 H new ATOM 0 HG2 LYS A 46 8.439 1.885 13.475 1.00 26.60 H new ATOM 0 HG3 LYS A 46 7.694 2.875 14.714 1.00 26.60 H new ATOM 0 HD2 LYS A 46 6.588 0.107 14.100 1.00 33.77 H new ATOM 0 HD3 LYS A 46 7.977 0.285 15.154 1.00 33.77 H new ATOM 0 HE2 LYS A 46 5.778 2.185 15.784 1.00 34.48 H new ATOM 0 HE3 LYS A 46 5.309 0.505 15.957 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 6.288 1.356 18.001 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 7.268 0.130 17.353 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 7.723 1.757 17.186 1.00 36.74 H new ATOM 738 N ILE A 47 7.859 4.882 11.671 1.00 13.96 N ATOM 739 CA ILE A 47 8.386 5.504 10.427 1.00 16.93 C ATOM 740 C ILE A 47 9.710 4.821 10.072 1.00 16.52 C ATOM 741 O ILE A 47 10.196 3.978 10.800 1.00 17.67 O ATOM 742 CB ILE A 47 8.602 7.012 10.656 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.516 7.761 9.324 1.00 19.39 C ATOM 744 CG2 ILE A 47 9.975 7.262 11.281 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.349 8.748 9.367 1.00 18.26 C ATOM 0 H ILE A 47 8.562 4.693 12.386 1.00 13.96 H new ATOM 0 HA ILE A 47 7.678 5.379 9.607 1.00 16.93 H new ATOM 0 HB ILE A 47 7.826 7.373 11.331 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.448 8.292 9.133 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.378 7.054 8.506 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.114 8.332 11.437 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.039 6.744 12.238 1.00 18.08 H new ATOM 0 HG23 ILE A 47 10.752 6.889 10.614 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.288 9.281 8.418 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.419 8.205 9.538 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.506 9.462 10.175 1.00 18.26 H new ATOM 757 N THR A 48 10.300 5.175 8.969 1.00 16.86 N ATOM 758 CA THR A 48 11.592 4.539 8.590 1.00 16.59 C ATOM 759 C THR A 48 12.708 5.582 8.651 1.00 19.04 C ATOM 760 O THR A 48 12.510 6.740 8.338 1.00 22.56 O ATOM 761 CB THR A 48 11.489 3.979 7.171 1.00 16.30 C ATOM 762 OG1 THR A 48 10.157 4.130 6.700 1.00 17.90 O ATOM 763 CG2 THR A 48 11.866 2.497 7.175 1.00 16.02 C ATOM 0 H THR A 48 9.948 5.874 8.315 1.00 16.86 H new ATOM 0 HA THR A 48 11.816 3.727 9.282 1.00 16.59 H new ATOM 0 HB THR A 48 12.171 4.522 6.516 1.00 16.30 H new ATOM 0 HG1 THR A 48 10.169 4.550 5.814 1.00 17.90 H new ATOM 0 HG21 THR A 48 11.792 2.100 6.163 1.00 16.02 H new ATOM 0 HG22 THR A 48 12.888 2.383 7.536 1.00 16.02 H new ATOM 0 HG23 THR A 48 11.187 1.951 7.830 1.00 16.02 H new ATOM 771 N LEU A 49 13.881 5.181 9.057 1.00 18.35 N ATOM 772 CA LEU A 49 15.010 6.145 9.145 1.00 18.82 C ATOM 773 C LEU A 49 16.218 5.569 8.400 1.00 20.06 C ATOM 774 O LEU A 49 16.681 4.484 8.693 1.00 18.35 O ATOM 775 CB LEU A 49 15.356 6.369 10.623 1.00 18.79 C ATOM 776 CG LEU A 49 16.267 7.588 10.787 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.709 7.200 10.452 1.00 20.41 C ATOM 778 CD2 LEU A 49 15.815 8.723 9.862 1.00 14.50 C ATOM 0 H LEU A 49 14.105 4.225 9.332 1.00 18.35 H new ATOM 0 HA LEU A 49 14.734 7.097 8.692 1.00 18.82 H new ATOM 0 HB2 LEU A 49 14.441 6.513 11.198 1.00 18.79 H new ATOM 0 HB3 LEU A 49 15.849 5.484 11.024 1.00 18.79 H new ATOM 0 HG LEU A 49 16.209 7.932 11.820 1.00 18.24 H new ATOM 0 HD11 LEU A 49 18.356 8.069 10.569 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.039 6.409 11.125 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.761 6.845 9.423 1.00 20.41 H new ATOM 0 HD21 LEU A 49 16.474 9.582 9.991 1.00 14.50 H new ATOM 0 HD22 LEU A 49 15.857 8.387 8.826 1.00 14.50 H new ATOM 0 HD23 LEU A 49 14.793 9.009 10.110 1.00 14.50 H new ATOM 790 N ASP A 50 16.722 6.280 7.429 1.00 22.62 N ATOM 791 CA ASP A 50 17.888 5.770 6.653 1.00 27.04 C ATOM 792 C ASP A 50 19.025 5.391 7.605 1.00 27.73 C ATOM 793 O ASP A 50 19.083 5.839 8.733 1.00 26.65 O ATOM 794 CB ASP A 50 18.371 6.854 5.688 1.00 29.11 C ATOM 795 CG ASP A 50 18.344 6.312 4.258 1.00 30.37 C ATOM 796 OD1 ASP A 50 17.261 6.201 3.707 1.00 30.76 O ATOM 797 OD2 ASP A 50 19.407 6.016 3.737 1.00 33.99 O ATOM 0 H ASP A 50 16.376 7.194 7.139 1.00 22.62 H new ATOM 0 HA ASP A 50 17.584 4.887 6.091 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.735 7.735 5.766 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.382 7.166 5.951 1.00 29.11 H new ATOM 802 N GLU A 51 19.931 4.566 7.153 1.00 31.16 N ATOM 803 CA GLU A 51 21.069 4.151 8.021 1.00 34.22 C ATOM 804 C GLU A 51 22.012 5.338 8.229 1.00 34.98 C ATOM 805 O GLU A 51 22.711 5.753 7.326 1.00 34.19 O ATOM 806 CB GLU A 51 21.830 3.008 7.343 1.00 38.24 C ATOM 807 CG GLU A 51 22.190 1.942 8.380 1.00 46.84 C ATOM 808 CD GLU A 51 22.813 0.735 7.676 1.00 51.38 C ATOM 809 OE1 GLU A 51 23.991 0.799 7.366 1.00 53.83 O ATOM 810 OE2 GLU A 51 22.102 -0.232 7.459 1.00 54.92 O ATOM 0 H GLU A 51 19.931 4.161 6.217 1.00 31.16 H new ATOM 0 HA GLU A 51 20.689 3.817 8.987 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.220 2.570 6.554 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.735 3.390 6.871 1.00 38.24 H new ATOM 0 HG2 GLU A 51 22.888 2.351 9.110 1.00 46.84 H new ATOM 0 HG3 GLU A 51 21.299 1.637 8.928 1.00 46.84 H new ATOM 817 N GLY A 52 22.038 5.888 9.412 1.00 34.53 N ATOM 818 CA GLY A 52 22.937 7.048 9.675 1.00 34.93 C ATOM 819 C GLY A 52 22.167 8.352 9.459 1.00 36.10 C ATOM 820 O GLY A 52 22.609 9.417 9.843 1.00 35.97 O ATOM 0 H GLY A 52 21.476 5.585 10.208 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.317 7.003 10.696 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.801 7.010 9.011 1.00 34.93 H new ATOM 824 N GLN A 53 21.017 8.278 8.847 1.00 36.52 N ATOM 825 CA GLN A 53 20.219 9.513 8.607 1.00 35.40 C ATOM 826 C GLN A 53 19.732 10.076 9.945 1.00 31.02 C ATOM 827 O GLN A 53 19.632 9.356 10.918 1.00 29.05 O ATOM 828 CB GLN A 53 19.010 9.175 7.730 1.00 41.20 C ATOM 829 CG GLN A 53 19.172 9.827 6.356 1.00 47.61 C ATOM 830 CD GLN A 53 17.809 10.310 5.856 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.160 11.108 6.502 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.344 9.855 4.725 1.00 54.76 N ATOM 0 H GLN A 53 20.596 7.415 8.503 1.00 36.52 H new ATOM 0 HA GLN A 53 20.841 10.254 8.105 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.918 8.094 7.622 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.094 9.527 8.205 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.866 10.665 6.419 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.598 9.113 5.651 1.00 47.61 H new ATOM 0 HE21 GLN A 53 17.889 9.185 4.182 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.436 10.169 4.384 1.00 54.76 H new ATOM 841 N PRO A 54 19.440 11.351 9.950 1.00 27.43 N ATOM 842 CA PRO A 54 18.952 12.047 11.151 1.00 23.44 C ATOM 843 C PRO A 54 17.467 11.748 11.370 1.00 20.14 C ATOM 844 O PRO A 54 16.614 12.239 10.658 1.00 21.64 O ATOM 845 CB PRO A 54 19.169 13.523 10.828 1.00 24.39 C ATOM 846 CG PRO A 54 19.231 13.624 9.289 1.00 27.18 C ATOM 847 CD PRO A 54 19.571 12.217 8.764 1.00 28.37 C ATOM 0 HA PRO A 54 19.464 11.739 12.063 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.357 14.132 11.225 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.091 13.888 11.279 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.278 13.967 8.885 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.987 14.345 8.979 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.889 11.912 7.970 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.579 12.178 8.351 1.00 28.37 H new ATOM 855 N ALA A 55 17.155 10.942 12.347 1.00 17.21 N ATOM 856 CA ALA A 55 15.730 10.602 12.613 1.00 15.58 C ATOM 857 C ALA A 55 14.860 11.855 12.488 1.00 16.41 C ATOM 858 O ALA A 55 15.339 12.969 12.571 1.00 13.65 O ATOM 859 CB ALA A 55 15.605 10.041 14.028 1.00 13.98 C ATOM 0 H ALA A 55 17.829 10.503 12.975 1.00 17.21 H new ATOM 0 HA ALA A 55 15.396 9.861 11.887 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.564 9.790 14.229 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.219 9.145 14.120 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.944 10.787 14.747 1.00 13.98 H new ATOM 865 N TYR A 56 13.581 11.677 12.297 1.00 15.93 N ATOM 866 CA TYR A 56 12.672 12.851 12.175 1.00 14.61 C ATOM 867 C TYR A 56 12.781 13.694 13.446 1.00 15.51 C ATOM 868 O TYR A 56 12.273 13.331 14.486 1.00 17.19 O ATOM 869 CB TYR A 56 11.227 12.367 11.992 1.00 12.92 C ATOM 870 CG TYR A 56 11.140 11.496 10.753 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.475 10.139 10.831 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.745 12.051 9.532 1.00 12.42 C ATOM 873 CE1 TYR A 56 11.413 9.337 9.687 1.00 7.90 C ATOM 874 CE2 TYR A 56 10.680 11.248 8.388 1.00 11.47 C ATOM 875 CZ TYR A 56 11.014 9.891 8.465 1.00 10.29 C ATOM 876 OH TYR A 56 10.952 9.100 7.336 1.00 12.03 O ATOM 0 H TYR A 56 13.126 10.767 12.220 1.00 15.93 H new ATOM 0 HA TYR A 56 12.955 13.452 11.311 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.907 11.804 12.869 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.555 13.220 11.898 1.00 12.92 H new ATOM 0 HD1 TYR A 56 11.781 9.712 11.774 1.00 7.14 H new ATOM 0 HD2 TYR A 56 10.490 13.099 9.472 1.00 12.42 H new ATOM 0 HE1 TYR A 56 11.673 8.290 9.746 1.00 7.90 H new ATOM 0 HE2 TYR A 56 10.372 11.675 7.445 1.00 11.47 H new ATOM 0 HH TYR A 56 11.416 8.254 7.504 1.00 12.03 H new ATOM 886 N ALA A 57 13.450 14.812 13.377 1.00 13.38 N ATOM 887 CA ALA A 57 13.595 15.667 14.589 1.00 14.95 C ATOM 888 C ALA A 57 12.207 16.040 15.118 1.00 15.46 C ATOM 889 O ALA A 57 11.206 15.703 14.517 1.00 17.82 O ATOM 890 CB ALA A 57 14.363 16.940 14.226 1.00 14.98 C ATOM 0 H ALA A 57 13.902 15.170 12.535 1.00 13.38 H new ATOM 0 HA ALA A 57 14.142 15.120 15.357 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.469 17.566 15.112 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.350 16.674 13.849 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.817 17.488 13.458 1.00 14.98 H new ATOM 896 N PRO A 58 12.191 16.728 16.231 1.00 15.20 N ATOM 897 CA PRO A 58 10.940 17.167 16.873 1.00 16.55 C ATOM 898 C PRO A 58 10.372 18.387 16.143 1.00 16.75 C ATOM 899 O PRO A 58 11.010 19.417 16.048 1.00 17.28 O ATOM 900 CB PRO A 58 11.375 17.529 18.296 1.00 15.65 C ATOM 901 CG PRO A 58 12.894 17.818 18.228 1.00 14.16 C ATOM 902 CD PRO A 58 13.416 17.133 16.951 1.00 13.96 C ATOM 0 HA PRO A 58 10.156 16.410 16.856 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.830 18.400 18.659 1.00 15.65 H new ATOM 0 HB3 PRO A 58 11.166 16.712 18.986 1.00 15.65 H new ATOM 0 HG2 PRO A 58 13.083 18.891 18.197 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.402 17.430 19.111 1.00 14.16 H new ATOM 0 HD2 PRO A 58 14.023 17.813 16.353 1.00 13.96 H new ATOM 0 HD3 PRO A 58 14.042 16.273 17.188 1.00 13.96 H new ATOM 910 N GLY A 59 9.181 18.278 15.622 1.00 17.22 N ATOM 911 CA GLY A 59 8.583 19.432 14.896 1.00 15.08 C ATOM 912 C GLY A 59 7.343 18.973 14.126 1.00 14.96 C ATOM 913 O GLY A 59 7.008 17.807 14.117 1.00 13.79 O ATOM 0 H GLY A 59 8.598 17.442 15.668 1.00 17.22 H new ATOM 0 HA2 GLY A 59 8.314 20.218 15.602 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.313 19.858 14.208 1.00 15.08 H new ATOM 917 N LEU A 60 6.663 19.878 13.471 1.00 15.83 N ATOM 918 CA LEU A 60 5.457 19.482 12.688 1.00 14.53 C ATOM 919 C LEU A 60 5.920 18.719 11.449 1.00 14.15 C ATOM 920 O LEU A 60 6.995 18.964 10.940 1.00 13.27 O ATOM 921 CB LEU A 60 4.694 20.737 12.255 1.00 15.84 C ATOM 922 CG LEU A 60 3.218 20.594 12.627 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.558 21.975 12.639 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.518 19.702 11.598 1.00 15.01 C ATOM 0 H LEU A 60 6.891 20.872 13.445 1.00 15.83 H new ATOM 0 HA LEU A 60 4.802 18.857 13.295 1.00 14.53 H new ATOM 0 HB2 LEU A 60 5.118 21.617 12.739 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.796 20.884 11.180 1.00 15.84 H new ATOM 0 HG LEU A 60 3.134 20.144 13.616 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.506 21.873 12.904 1.00 19.57 H new ATOM 0 HD12 LEU A 60 3.057 22.610 13.371 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.641 22.426 11.650 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.465 19.599 11.862 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.602 20.153 10.609 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.988 18.718 11.590 1.00 15.01 H new ATOM 936 N TYR A 61 5.144 17.792 10.957 1.00 11.12 N ATOM 937 CA TYR A 61 5.596 17.038 9.762 1.00 9.57 C ATOM 938 C TYR A 61 4.503 16.935 8.718 1.00 11.76 C ATOM 939 O TYR A 61 3.331 17.123 8.982 1.00 11.26 O ATOM 940 CB TYR A 61 6.036 15.636 10.172 1.00 9.42 C ATOM 941 CG TYR A 61 7.472 15.714 10.608 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.778 16.189 11.883 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.493 15.347 9.726 1.00 10.26 C ATOM 944 CE1 TYR A 61 9.110 16.296 12.284 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.827 15.456 10.124 1.00 13.99 C ATOM 946 CZ TYR A 61 10.133 15.931 11.404 1.00 11.06 C ATOM 947 OH TYR A 61 11.449 16.040 11.805 1.00 14.61 O ATOM 0 H TYR A 61 4.230 17.529 11.327 1.00 11.12 H new ATOM 0 HA TYR A 61 6.434 17.582 9.325 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.411 15.261 10.982 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.927 14.942 9.338 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.985 16.474 12.559 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.251 14.980 8.740 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.350 16.660 13.272 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.620 15.175 9.446 1.00 13.99 H new ATOM 0 HH TYR A 61 11.487 16.135 12.780 1.00 14.61 H new ATOM 957 N THR A 62 4.903 16.600 7.535 1.00 12.22 N ATOM 958 CA THR A 62 3.951 16.426 6.426 1.00 14.26 C ATOM 959 C THR A 62 4.524 15.348 5.535 1.00 15.40 C ATOM 960 O THR A 62 5.625 15.464 5.033 1.00 16.24 O ATOM 961 CB THR A 62 3.802 17.721 5.642 1.00 15.07 C ATOM 962 OG1 THR A 62 5.009 17.996 4.945 1.00 18.36 O ATOM 963 CG2 THR A 62 3.491 18.861 6.608 1.00 11.61 C ATOM 0 H THR A 62 5.878 16.435 7.286 1.00 12.22 H new ATOM 0 HA THR A 62 2.964 16.153 6.800 1.00 14.26 H new ATOM 0 HB THR A 62 2.989 17.624 4.923 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.454 17.153 4.717 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.383 19.791 6.050 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.563 18.646 7.138 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.304 18.961 7.327 1.00 11.61 H new ATOM 971 N VAL A 63 3.817 14.288 5.357 1.00 14.65 N ATOM 972 CA VAL A 63 4.367 13.201 4.520 1.00 15.17 C ATOM 973 C VAL A 63 4.819 13.783 3.188 1.00 14.24 C ATOM 974 O VAL A 63 4.557 14.928 2.875 1.00 19.13 O ATOM 975 CB VAL A 63 3.327 12.112 4.301 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.027 10.874 3.751 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.656 11.767 5.637 1.00 18.64 C ATOM 0 H VAL A 63 2.890 14.122 5.748 1.00 14.65 H new ATOM 0 HA VAL A 63 5.219 12.749 5.028 1.00 15.17 H new ATOM 0 HB VAL A 63 2.569 12.457 3.598 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.294 10.084 3.589 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.511 11.120 2.806 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.777 10.533 4.465 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.911 10.987 5.479 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.409 11.413 6.341 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.171 12.656 6.041 1.00 18.64 H new ATOM 987 N HIS A 64 5.507 13.010 2.408 1.00 13.31 N ATOM 988 CA HIS A 64 5.994 13.520 1.101 1.00 10.78 C ATOM 989 C HIS A 64 5.722 12.473 0.020 1.00 14.19 C ATOM 990 O HIS A 64 6.121 11.328 0.142 1.00 11.59 O ATOM 991 CB HIS A 64 7.500 13.785 1.190 1.00 11.86 C ATOM 992 CG HIS A 64 7.892 14.821 0.171 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.240 14.947 -1.045 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.876 15.780 0.168 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.832 15.939 -1.725 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.837 16.485 -1.033 1.00 20.65 N ATOM 0 H HIS A 64 5.755 12.043 2.617 1.00 13.31 H new ATOM 0 HA HIS A 64 5.477 14.446 0.850 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.760 14.128 2.191 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.053 12.862 1.016 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.573 15.960 0.973 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.533 16.258 -2.712 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.444 17.252 -1.322 1.00 20.65 H new ATOM 1004 N LEU A 65 5.052 12.850 -1.040 1.00 12.93 N ATOM 1005 CA LEU A 65 4.768 11.870 -2.121 1.00 14.44 C ATOM 1006 C LEU A 65 6.053 11.561 -2.891 1.00 12.66 C ATOM 1007 O LEU A 65 6.052 10.776 -3.818 1.00 10.20 O ATOM 1008 CB LEU A 65 3.707 12.431 -3.073 1.00 14.94 C ATOM 1009 CG LEU A 65 4.336 13.448 -4.005 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.333 12.895 -5.433 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.539 14.751 -3.955 1.00 19.03 C ATOM 0 H LEU A 65 4.693 13.791 -1.199 1.00 12.93 H new ATOM 0 HA LEU A 65 4.390 10.950 -1.677 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.261 11.622 -3.651 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.903 12.896 -2.502 1.00 14.94 H new ATOM 0 HG LEU A 65 5.362 13.644 -3.693 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.785 13.624 -6.106 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.905 11.968 -5.465 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.307 12.699 -5.745 1.00 15.75 H new ATOM 0 HD21 LEU A 65 3.993 15.481 -4.626 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.512 14.561 -4.266 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.543 15.141 -2.937 1.00 19.03 H new ATOM 1023 N SER A 66 7.160 12.145 -2.505 1.00 13.51 N ATOM 1024 CA SER A 66 8.426 11.841 -3.214 1.00 10.39 C ATOM 1025 C SER A 66 8.652 10.335 -3.125 1.00 8.56 C ATOM 1026 O SER A 66 9.403 9.753 -3.882 1.00 11.70 O ATOM 1027 CB SER A 66 9.584 12.578 -2.540 1.00 12.88 C ATOM 1028 OG SER A 66 9.787 12.042 -1.239 1.00 14.72 O ATOM 0 H SER A 66 7.235 12.812 -1.737 1.00 13.51 H new ATOM 0 HA SER A 66 8.371 12.161 -4.255 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.492 12.474 -3.135 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.365 13.644 -2.477 1.00 12.88 H new ATOM 0 HG SER A 66 9.668 12.750 -0.571 1.00 14.72 H new ATOM 1034 N SER A 67 7.994 9.704 -2.188 1.00 7.98 N ATOM 1035 CA SER A 67 8.144 8.236 -2.016 1.00 8.20 C ATOM 1036 C SER A 67 7.005 7.502 -2.732 1.00 11.02 C ATOM 1037 O SER A 67 7.091 6.320 -2.996 1.00 11.45 O ATOM 1038 CB SER A 67 8.096 7.899 -0.529 1.00 8.01 C ATOM 1039 OG SER A 67 9.354 8.197 0.062 1.00 11.22 O ATOM 0 H SER A 67 7.354 10.150 -1.531 1.00 7.98 H new ATOM 0 HA SER A 67 9.097 7.922 -2.442 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.307 8.471 -0.040 1.00 8.01 H new ATOM 0 HB3 SER A 67 7.857 6.844 -0.391 1.00 8.01 H new ATOM 0 HG SER A 67 9.489 7.628 0.849 1.00 11.22 H new ATOM 1045 N PHE A 68 5.933 8.185 -3.033 1.00 10.09 N ATOM 1046 CA PHE A 68 4.787 7.517 -3.711 1.00 11.79 C ATOM 1047 C PHE A 68 5.210 7.088 -5.116 1.00 12.69 C ATOM 1048 O PHE A 68 6.153 7.610 -5.678 1.00 14.25 O ATOM 1049 CB PHE A 68 3.606 8.496 -3.803 1.00 10.08 C ATOM 1050 CG PHE A 68 3.287 9.069 -2.437 1.00 11.89 C ATOM 1051 CD1 PHE A 68 3.966 8.626 -1.289 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.332 10.086 -2.328 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.687 9.203 -0.046 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.051 10.657 -1.083 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.731 10.218 0.056 1.00 11.87 C ATOM 0 H PHE A 68 5.802 9.178 -2.838 1.00 10.09 H new ATOM 0 HA PHE A 68 4.484 6.639 -3.140 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.847 9.303 -4.495 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.731 7.984 -4.203 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.703 7.840 -1.367 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.810 10.431 -3.208 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.210 8.864 0.836 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.309 11.437 -1.002 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.518 10.663 1.016 1.00 11.87 H new ATOM 1065 N LYS A 69 4.522 6.140 -5.686 1.00 12.51 N ATOM 1066 CA LYS A 69 4.885 5.675 -7.056 1.00 15.38 C ATOM 1067 C LYS A 69 3.616 5.407 -7.864 1.00 15.02 C ATOM 1068 O LYS A 69 2.512 5.556 -7.379 1.00 15.36 O ATOM 1069 CB LYS A 69 5.703 4.386 -6.959 1.00 16.04 C ATOM 1070 CG LYS A 69 4.907 3.332 -6.188 1.00 20.35 C ATOM 1071 CD LYS A 69 4.954 2.003 -6.944 1.00 21.35 C ATOM 1072 CE LYS A 69 5.806 1.001 -6.163 1.00 30.24 C ATOM 1073 NZ LYS A 69 4.954 0.297 -5.163 1.00 32.70 N ATOM 0 H LYS A 69 3.724 5.666 -5.264 1.00 12.51 H new ATOM 0 HA LYS A 69 5.474 6.447 -7.551 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.942 4.018 -7.957 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.650 4.581 -6.456 1.00 16.04 H new ATOM 0 HG2 LYS A 69 5.321 3.208 -5.187 1.00 20.35 H new ATOM 0 HG3 LYS A 69 3.874 3.658 -6.067 1.00 20.35 H new ATOM 0 HD2 LYS A 69 3.945 1.612 -7.077 1.00 21.35 H new ATOM 0 HD3 LYS A 69 5.372 2.153 -7.940 1.00 21.35 H new ATOM 0 HE2 LYS A 69 6.255 0.280 -6.846 1.00 30.24 H new ATOM 0 HE3 LYS A 69 6.624 1.517 -5.661 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 5.429 0.301 -4.238 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 4.038 0.783 -5.084 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 4.800 -0.685 -5.468 1.00 32.70 H new ATOM 1087 N VAL A 70 3.771 5.013 -9.097 1.00 13.65 N ATOM 1088 CA VAL A 70 2.581 4.732 -9.951 1.00 13.49 C ATOM 1089 C VAL A 70 2.693 3.322 -10.535 1.00 11.85 C ATOM 1090 O VAL A 70 3.705 2.953 -11.098 1.00 12.13 O ATOM 1091 CB VAL A 70 2.519 5.747 -11.089 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.070 5.908 -11.554 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.055 7.097 -10.606 1.00 15.63 C ATOM 0 H VAL A 70 4.673 4.873 -9.552 1.00 13.65 H new ATOM 0 HA VAL A 70 1.677 4.806 -9.347 1.00 13.49 H new ATOM 0 HB VAL A 70 3.129 5.394 -11.920 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.027 6.633 -12.367 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.691 4.948 -11.904 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.458 6.258 -10.723 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.009 7.819 -11.421 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.449 7.452 -9.772 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.089 6.983 -10.280 1.00 15.63 H new ATOM 1103 N GLY A 71 1.662 2.531 -10.409 1.00 11.15 N ATOM 1104 CA GLY A 71 1.714 1.147 -10.962 1.00 11.07 C ATOM 1105 C GLY A 71 0.970 0.190 -10.027 1.00 12.15 C ATOM 1106 O GLY A 71 0.303 0.606 -9.100 1.00 12.70 O ATOM 0 H GLY A 71 0.788 2.782 -9.948 1.00 11.15 H new ATOM 0 HA2 GLY A 71 1.264 1.124 -11.955 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.750 0.829 -11.075 1.00 11.07 H new ATOM 1110 N GLN A 72 1.077 -1.090 -10.264 1.00 15.78 N ATOM 1111 CA GLN A 72 0.376 -2.073 -9.391 1.00 19.42 C ATOM 1112 C GLN A 72 -1.132 -1.970 -9.621 1.00 16.97 C ATOM 1113 O GLN A 72 -1.845 -1.342 -8.864 1.00 20.46 O ATOM 1114 CB GLN A 72 0.694 -1.775 -7.924 1.00 22.64 C ATOM 1115 CG GLN A 72 0.553 -3.058 -7.102 1.00 25.29 C ATOM 1116 CD GLN A 72 1.632 -4.057 -7.524 1.00 26.29 C ATOM 1117 OE1 GLN A 72 2.788 -3.902 -7.183 1.00 26.22 O ATOM 1118 NE2 GLN A 72 1.301 -5.085 -8.257 1.00 25.15 N ATOM 0 H GLN A 72 1.620 -1.497 -11.025 1.00 15.78 H new ATOM 0 HA GLN A 72 0.713 -3.081 -9.634 1.00 19.42 H new ATOM 0 HB2 GLN A 72 1.706 -1.381 -7.833 1.00 22.64 H new ATOM 0 HB3 GLN A 72 0.018 -1.009 -7.542 1.00 22.64 H new ATOM 0 HG2 GLN A 72 0.646 -2.834 -6.039 1.00 25.29 H new ATOM 0 HG3 GLN A 72 -0.436 -3.491 -7.251 1.00 25.29 H new ATOM 0 HE21 GLN A 72 0.331 -5.216 -8.544 1.00 25.15 H new ATOM 0 HE22 GLN A 72 2.012 -5.758 -8.543 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.620 -2.582 -10.664 1.00 14.56 N ATOM 1128 CA PHE A 73 -3.078 -2.527 -10.954 1.00 14.60 C ATOM 1129 C PHE A 73 -3.433 -1.152 -11.523 1.00 15.63 C ATOM 1130 O PHE A 73 -4.589 -0.795 -11.634 1.00 17.80 O ATOM 1131 CB PHE A 73 -3.860 -2.764 -9.664 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.215 -3.877 -8.873 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -2.690 -4.994 -9.534 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -3.146 -3.793 -7.477 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -2.094 -6.027 -8.799 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -2.550 -4.826 -6.743 1.00 18.68 C ATOM 1137 CZ PHE A 73 -2.025 -5.942 -7.403 1.00 17.88 C ATOM 0 H PHE A 73 -1.067 -3.121 -11.331 1.00 14.56 H new ATOM 0 HA PHE A 73 -3.335 -3.297 -11.682 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -3.885 -1.850 -9.070 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -4.893 -3.022 -9.896 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -2.745 -5.059 -10.611 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -3.552 -2.932 -6.967 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -1.688 -6.888 -9.309 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -2.496 -4.761 -5.666 1.00 18.68 H new ATOM 0 HZ PHE A 73 -1.566 -6.738 -6.836 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.447 -0.377 -11.885 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.727 0.974 -12.447 1.00 13.44 C ATOM 1149 C GLY A 74 -3.246 1.892 -11.339 1.00 10.42 C ATOM 1150 O GLY A 74 -4.236 2.578 -11.500 1.00 13.62 O ATOM 0 H GLY A 74 -1.459 -0.622 -11.816 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -1.821 1.392 -12.885 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.463 0.901 -13.247 1.00 13.44 H new ATOM 1154 N SER A 75 -2.586 1.911 -10.214 1.00 12.64 N ATOM 1155 CA SER A 75 -3.044 2.785 -9.096 1.00 12.47 C ATOM 1156 C SER A 75 -1.831 3.341 -8.348 1.00 12.47 C ATOM 1157 O SER A 75 -0.827 2.675 -8.193 1.00 11.32 O ATOM 1158 CB SER A 75 -3.905 1.966 -8.133 1.00 11.21 C ATOM 1159 OG SER A 75 -4.853 2.822 -7.509 1.00 18.27 O ATOM 0 H SER A 75 -1.750 1.360 -10.020 1.00 12.64 H new ATOM 0 HA SER A 75 -3.630 3.612 -9.498 1.00 12.47 H new ATOM 0 HB2 SER A 75 -4.417 1.169 -8.672 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.277 1.489 -7.380 1.00 11.21 H new ATOM 0 HG SER A 75 -5.408 2.301 -6.892 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.915 4.557 -7.878 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.766 5.150 -7.136 1.00 12.18 C ATOM 1167 C LEU A 76 -0.318 4.179 -6.045 1.00 12.07 C ATOM 1168 O LEU A 76 -0.984 3.203 -5.763 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.197 6.473 -6.499 1.00 11.99 C ATOM 1170 CG LEU A 76 -0.181 7.561 -6.850 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.361 7.974 -8.313 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.402 8.776 -5.945 1.00 7.80 C ATOM 0 H LEU A 76 -2.729 5.164 -7.976 1.00 12.43 H new ATOM 0 HA LEU A 76 0.059 5.334 -7.824 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -2.187 6.756 -6.856 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.268 6.362 -5.417 1.00 11.99 H new ATOM 0 HG LEU A 76 0.829 7.177 -6.703 1.00 8.87 H new ATOM 0 HD11 LEU A 76 0.363 8.749 -8.564 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -0.204 7.109 -8.957 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -1.370 8.358 -8.461 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.322 9.552 -6.194 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -1.411 9.160 -6.092 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.274 8.482 -4.903 1.00 7.80 H new ATOM 1184 N MET A 77 0.805 4.432 -5.427 1.00 14.08 N ATOM 1185 CA MET A 77 1.284 3.511 -4.357 1.00 14.12 C ATOM 1186 C MET A 77 2.396 4.176 -3.545 1.00 11.37 C ATOM 1187 O MET A 77 3.520 4.303 -3.991 1.00 11.44 O ATOM 1188 CB MET A 77 1.825 2.230 -4.990 1.00 16.48 C ATOM 1189 CG MET A 77 0.665 1.290 -5.318 1.00 24.75 C ATOM 1190 SD MET A 77 1.146 -0.415 -4.950 1.00 35.11 S ATOM 1191 CE MET A 77 0.343 -0.532 -3.332 1.00 33.86 C ATOM 0 H MET A 77 1.408 5.233 -5.616 1.00 14.08 H new ATOM 0 HA MET A 77 0.449 3.276 -3.697 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.381 2.467 -5.897 1.00 16.48 H new ATOM 0 HB3 MET A 77 2.521 1.741 -4.308 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.215 1.564 -4.736 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.394 1.383 -6.370 1.00 24.75 H new ATOM 0 HE1 MET A 77 0.514 -1.523 -2.912 1.00 33.86 H new ATOM 0 HE2 MET A 77 0.759 0.222 -2.664 1.00 33.86 H new ATOM 0 HE3 MET A 77 -0.728 -0.366 -3.445 1.00 33.86 H new ATOM 1201 N ILE A 78 2.088 4.588 -2.350 1.00 11.78 N ATOM 1202 CA ILE A 78 3.116 5.236 -1.482 1.00 11.62 C ATOM 1203 C ILE A 78 4.438 4.465 -1.595 1.00 11.45 C ATOM 1204 O ILE A 78 5.437 4.978 -2.056 1.00 12.59 O ATOM 1205 CB ILE A 78 2.614 5.235 -0.025 1.00 12.05 C ATOM 1206 CG1 ILE A 78 1.852 6.533 0.244 1.00 7.09 C ATOM 1207 CG2 ILE A 78 3.785 5.130 0.955 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.777 6.284 1.305 1.00 13.67 C ATOM 0 H ILE A 78 1.162 4.505 -1.931 1.00 11.78 H new ATOM 0 HA ILE A 78 3.284 6.265 -1.801 1.00 11.62 H new ATOM 0 HB ILE A 78 1.961 4.374 0.117 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.540 7.307 0.583 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.393 6.895 -0.676 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.406 5.131 1.977 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.331 4.205 0.772 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.454 5.979 0.815 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.234 7.209 1.497 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.083 5.523 0.948 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.248 5.942 2.227 1.00 13.67 H new ATOM 1220 N ASP A 79 4.429 3.238 -1.168 1.00 10.05 N ATOM 1221 CA ASP A 79 5.653 2.380 -1.220 1.00 14.79 C ATOM 1222 C ASP A 79 6.539 2.656 -0.003 1.00 15.20 C ATOM 1223 O ASP A 79 7.030 1.750 0.641 1.00 18.10 O ATOM 1224 CB ASP A 79 6.427 2.673 -2.502 1.00 12.21 C ATOM 1225 CG ASP A 79 7.407 1.531 -2.781 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.015 0.591 -3.453 1.00 24.06 O ATOM 1227 OD2 ASP A 79 8.533 1.617 -2.319 1.00 21.87 O ATOM 0 H ASP A 79 3.608 2.778 -0.775 1.00 10.05 H new ATOM 0 HA ASP A 79 5.356 1.331 -1.209 1.00 14.79 H new ATOM 0 HB2 ASP A 79 5.737 2.786 -3.338 1.00 12.21 H new ATOM 0 HB3 ASP A 79 6.968 3.615 -2.406 1.00 12.21 H new ATOM 1232 N ARG A 80 6.738 3.898 0.315 1.00 17.08 N ATOM 1233 CA ARG A 80 7.584 4.254 1.494 1.00 17.14 C ATOM 1234 C ARG A 80 7.518 5.762 1.703 1.00 14.98 C ATOM 1235 O ARG A 80 8.484 6.479 1.540 1.00 16.47 O ATOM 1236 CB ARG A 80 9.031 3.822 1.249 1.00 17.78 C ATOM 1237 CG ARG A 80 9.858 4.069 2.511 1.00 22.76 C ATOM 1238 CD ARG A 80 10.053 2.751 3.262 1.00 28.43 C ATOM 1239 NE ARG A 80 9.032 2.639 4.343 1.00 33.10 N ATOM 1240 CZ ARG A 80 8.813 1.488 4.922 1.00 30.84 C ATOM 1241 NH1 ARG A 80 9.489 0.431 4.559 1.00 33.12 N ATOM 1242 NH2 ARG A 80 7.917 1.395 5.866 1.00 35.04 N ATOM 0 H ARG A 80 6.350 4.694 -0.192 1.00 17.08 H new ATOM 0 HA ARG A 80 7.216 3.741 2.382 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.066 2.766 0.979 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.451 4.379 0.411 1.00 17.78 H new ATOM 0 HG2 ARG A 80 10.826 4.495 2.246 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.355 4.793 3.152 1.00 22.76 H new ATOM 0 HD2 ARG A 80 9.963 1.911 2.573 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.055 2.708 3.688 1.00 28.43 H new ATOM 0 HE ARG A 80 8.503 3.462 4.631 1.00 33.10 H new ATOM 0 HH11 ARG A 80 10.190 0.502 3.822 1.00 33.12 H new ATOM 0 HH12 ARG A 80 9.316 -0.466 5.013 1.00 33.12 H new ATOM 0 HH21 ARG A 80 7.389 2.220 6.151 1.00 35.04 H new ATOM 0 HH22 ARG A 80 7.745 0.497 6.319 1.00 35.04 H new ATOM 1256 N LEU A 81 6.361 6.229 2.056 1.00 11.03 N ATOM 1257 CA LEU A 81 6.135 7.680 2.272 1.00 11.27 C ATOM 1258 C LEU A 81 7.363 8.354 2.897 1.00 15.61 C ATOM 1259 O LEU A 81 7.881 7.924 3.908 1.00 18.56 O ATOM 1260 CB LEU A 81 4.911 7.850 3.170 1.00 13.62 C ATOM 1261 CG LEU A 81 5.313 7.764 4.638 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.092 8.062 5.511 1.00 11.44 C ATOM 1263 CD2 LEU A 81 5.820 6.348 4.935 1.00 18.72 C ATOM 0 H LEU A 81 5.537 5.648 2.209 1.00 11.03 H new ATOM 0 HA LEU A 81 5.963 8.163 1.310 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.437 8.811 2.972 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.175 7.079 2.942 1.00 13.62 H new ATOM 0 HG LEU A 81 6.100 8.488 4.852 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.373 8.002 6.562 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.723 9.064 5.291 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.309 7.333 5.303 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.110 6.278 5.983 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.029 5.627 4.728 1.00 18.72 H new ATOM 0 HD23 LEU A 81 6.682 6.131 4.305 1.00 18.72 H new ATOM 1275 N ARG A 82 7.811 9.427 2.306 1.00 13.37 N ATOM 1276 CA ARG A 82 8.982 10.161 2.862 1.00 12.72 C ATOM 1277 C ARG A 82 8.461 11.286 3.757 1.00 13.33 C ATOM 1278 O ARG A 82 7.962 12.288 3.283 1.00 13.27 O ATOM 1279 CB ARG A 82 9.805 10.757 1.718 1.00 13.85 C ATOM 1280 CG ARG A 82 11.261 10.303 1.840 1.00 16.22 C ATOM 1281 CD ARG A 82 11.755 9.808 0.481 1.00 16.62 C ATOM 1282 NE ARG A 82 13.057 10.467 0.147 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.210 11.763 0.249 1.00 17.96 C ATOM 1284 NH1 ARG A 82 12.182 12.543 0.461 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.392 12.288 0.078 1.00 16.89 N ATOM 0 H ARG A 82 7.414 9.829 1.457 1.00 13.37 H new ATOM 0 HA ARG A 82 9.613 9.483 3.436 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.395 10.441 0.759 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.750 11.845 1.746 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.883 11.128 2.187 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.345 9.508 2.581 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.879 8.725 0.501 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.016 10.030 -0.289 1.00 16.62 H new ATOM 0 HE ARG A 82 13.841 9.894 -0.166 1.00 15.85 H new ATOM 0 HH11 ARG A 82 11.248 12.143 0.549 1.00 20.55 H new ATOM 0 HH12 ARG A 82 12.314 13.551 0.539 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.190 11.689 -0.134 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.518 13.297 0.156 1.00 16.89 H new ATOM 1299 N LEU A 83 8.546 11.121 5.048 1.00 13.53 N ATOM 1300 CA LEU A 83 8.027 12.176 5.965 1.00 13.86 C ATOM 1301 C LEU A 83 8.961 13.382 5.991 1.00 13.02 C ATOM 1302 O LEU A 83 10.164 13.263 5.866 1.00 14.40 O ATOM 1303 CB LEU A 83 7.899 11.625 7.383 1.00 9.93 C ATOM 1304 CG LEU A 83 6.480 11.853 7.898 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.434 11.538 9.395 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.090 13.317 7.672 1.00 10.58 C ATOM 0 H LEU A 83 8.951 10.305 5.507 1.00 13.53 H new ATOM 0 HA LEU A 83 7.049 12.486 5.596 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.133 10.560 7.392 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.618 12.115 8.040 1.00 9.93 H new ATOM 0 HG LEU A 83 5.784 11.205 7.366 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.423 11.699 9.770 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.720 10.499 9.557 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.126 12.192 9.926 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.077 13.484 8.038 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.782 13.965 8.210 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.133 13.545 6.607 1.00 10.58 H new ATOM 1318 N VAL A 84 8.400 14.544 6.162 1.00 11.81 N ATOM 1319 CA VAL A 84 9.207 15.782 6.214 1.00 12.86 C ATOM 1320 C VAL A 84 8.504 16.769 7.151 1.00 14.98 C ATOM 1321 O VAL A 84 7.307 16.687 7.333 1.00 13.59 O ATOM 1322 CB VAL A 84 9.284 16.369 4.806 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.929 15.355 3.860 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.871 16.699 4.315 1.00 17.34 C ATOM 0 H VAL A 84 7.396 14.686 6.270 1.00 11.81 H new ATOM 0 HA VAL A 84 10.214 15.580 6.578 1.00 12.86 H new ATOM 0 HB VAL A 84 9.886 17.278 4.825 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.983 15.777 2.856 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.935 15.120 4.209 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.330 14.444 3.840 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.924 17.118 3.310 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.270 15.790 4.298 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.412 17.424 4.987 1.00 17.34 H new ATOM 1334 N PRO A 85 9.253 17.684 7.705 1.00 18.65 N ATOM 1335 CA PRO A 85 8.700 18.706 8.609 1.00 22.41 C ATOM 1336 C PRO A 85 7.698 19.597 7.858 1.00 25.70 C ATOM 1337 O PRO A 85 7.865 19.887 6.690 1.00 22.08 O ATOM 1338 CB PRO A 85 9.932 19.469 9.099 1.00 21.19 C ATOM 1339 CG PRO A 85 11.041 19.175 8.077 1.00 18.95 C ATOM 1340 CD PRO A 85 10.699 17.802 7.473 1.00 20.63 C ATOM 0 HA PRO A 85 8.135 18.295 9.445 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.731 20.538 9.161 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.223 19.142 10.097 1.00 21.19 H new ATOM 0 HG2 PRO A 85 11.076 19.944 7.305 1.00 18.95 H new ATOM 0 HG3 PRO A 85 12.020 19.159 8.556 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.941 17.758 6.411 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.252 16.999 7.960 1.00 20.63 H new ATOM 1348 N ALA A 86 6.644 20.010 8.516 1.00 31.74 N ATOM 1349 CA ALA A 86 5.614 20.854 7.840 1.00 39.94 C ATOM 1350 C ALA A 86 6.190 22.243 7.557 1.00 46.96 C ATOM 1351 O ALA A 86 6.674 22.919 8.442 1.00 49.29 O ATOM 1352 CB ALA A 86 4.387 20.980 8.750 1.00 39.70 C ATOM 0 H ALA A 86 6.453 19.798 9.495 1.00 31.74 H new ATOM 0 HA ALA A 86 5.323 20.389 6.898 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.632 21.596 8.260 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.976 19.990 8.946 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.679 21.445 9.692 1.00 39.70 H new ATOM 1358 N LYS A 87 6.140 22.673 6.326 1.00 51.78 N ATOM 1359 CA LYS A 87 6.684 24.017 5.981 1.00 55.12 C ATOM 1360 C LYS A 87 5.953 25.088 6.793 1.00 55.82 C ATOM 1361 O LYS A 87 6.524 26.148 6.988 1.00 58.05 O ATOM 1362 CB LYS A 87 6.478 24.282 4.487 1.00 52.96 C ATOM 1363 CG LYS A 87 7.288 25.510 4.068 1.00 55.49 C ATOM 1364 CD LYS A 87 8.755 25.116 3.880 1.00 56.64 C ATOM 1365 CE LYS A 87 9.650 26.319 4.184 1.00 58.91 C ATOM 1366 NZ LYS A 87 10.129 26.239 5.594 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.835 24.829 7.207 1.00 57.66 O ATOM 0 H LYS A 87 5.746 22.151 5.543 1.00 51.78 H new ATOM 0 HA LYS A 87 7.748 24.048 6.213 1.00 55.12 H new ATOM 0 HB2 LYS A 87 6.789 23.413 3.907 1.00 52.96 H new ATOM 0 HB3 LYS A 87 5.420 24.443 4.278 1.00 52.96 H new ATOM 0 HG2 LYS A 87 6.890 25.922 3.141 1.00 55.49 H new ATOM 0 HG3 LYS A 87 7.204 26.289 4.825 1.00 55.49 H new ATOM 0 HD2 LYS A 87 9.007 24.286 4.540 1.00 56.64 H new ATOM 0 HD3 LYS A 87 8.923 24.774 2.859 1.00 56.64 H new ATOM 0 HE2 LYS A 87 10.499 26.336 3.501 1.00 58.91 H new ATOM 0 HE3 LYS A 87 9.097 27.245 4.029 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 10.737 27.057 5.801 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 9.313 26.243 6.239 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 10.671 25.362 5.727 1.00 58.16 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 3.024 18.145 -3.702 1.00 42.32 N ATOM 1383 CA MET B 1 1.591 17.781 -3.888 1.00 40.89 C ATOM 1384 C MET B 1 1.474 16.691 -4.952 1.00 34.75 C ATOM 1385 O MET B 1 1.917 16.856 -6.071 1.00 33.97 O ATOM 1386 CB MET B 1 0.805 19.013 -4.346 1.00 48.45 C ATOM 1387 CG MET B 1 -0.607 18.597 -4.773 1.00 56.13 C ATOM 1388 SD MET B 1 -1.820 19.485 -3.764 1.00 64.91 S ATOM 1389 CE MET B 1 -1.211 21.155 -4.100 1.00 63.43 C ATOM 0 H1 MET B 1 3.092 18.996 -3.108 1.00 42.32 H new ATOM 0 H2 MET B 1 3.524 17.360 -3.239 1.00 42.32 H new ATOM 0 H3 MET B 1 3.457 18.334 -4.628 1.00 42.32 H new ATOM 0 HA MET B 1 1.187 17.417 -2.943 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.751 19.742 -3.538 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.319 19.496 -5.177 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.761 18.820 -5.829 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.734 17.521 -4.653 1.00 56.13 H new ATOM 0 HE1 MET B 1 -2.050 21.850 -4.123 1.00 63.43 H new ATOM 0 HE2 MET B 1 -0.514 21.453 -3.316 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.701 21.169 -5.063 1.00 63.43 H new ATOM 1401 N ILE B 2 0.864 15.586 -4.621 1.00 28.59 N ATOM 1402 CA ILE B 2 0.700 14.502 -5.628 1.00 24.58 C ATOM 1403 C ILE B 2 -0.193 15.038 -6.744 1.00 19.29 C ATOM 1404 O ILE B 2 -1.378 14.778 -6.792 1.00 19.53 O ATOM 1405 CB ILE B 2 0.052 13.288 -4.966 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.751 12.999 -3.640 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.192 12.072 -5.876 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.298 12.656 -2.589 1.00 33.80 C ATOM 0 H ILE B 2 0.474 15.388 -3.700 1.00 28.59 H new ATOM 0 HA ILE B 2 1.664 14.197 -6.034 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.004 13.496 -4.791 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.451 12.172 -3.756 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.331 13.866 -3.324 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.271 11.207 -5.401 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.301 12.271 -6.828 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.248 11.868 -6.050 1.00 23.06 H new ATOM 0 HD11 ILE B 2 0.194 12.448 -1.639 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -0.981 13.497 -2.468 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.858 11.777 -2.908 1.00 33.80 H new ATOM 1420 N LYS B 3 0.373 15.822 -7.616 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.420 16.438 -8.715 1.00 16.66 C ATOM 1422 C LYS B 3 -0.841 15.401 -9.751 1.00 14.94 C ATOM 1423 O LYS B 3 -0.496 14.238 -9.677 1.00 13.94 O ATOM 1424 CB LYS B 3 0.424 17.514 -9.402 1.00 16.94 C ATOM 1425 CG LYS B 3 0.163 18.872 -8.749 1.00 17.85 C ATOM 1426 CD LYS B 3 0.428 19.985 -9.765 1.00 19.63 C ATOM 1427 CE LYS B 3 1.533 20.906 -9.242 1.00 26.28 C ATOM 1428 NZ LYS B 3 2.821 20.158 -9.189 1.00 32.72 N ATOM 0 H LYS B 3 1.364 16.065 -7.614 1.00 18.14 H new ATOM 0 HA LYS B 3 -1.320 16.873 -8.281 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.482 17.262 -9.328 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.180 17.558 -10.464 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.867 18.926 -8.395 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.806 18.999 -7.878 1.00 17.85 H new ATOM 0 HD2 LYS B 3 0.722 19.555 -10.722 1.00 19.63 H new ATOM 0 HD3 LYS B 3 -0.484 20.557 -9.939 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.632 21.777 -9.890 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.274 21.275 -8.250 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 3.614 20.831 -9.185 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 2.852 19.582 -8.324 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 2.897 19.538 -10.021 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.588 15.841 -10.725 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.060 14.932 -11.801 1.00 12.99 C ATOM 1444 C VAL B 4 -2.982 15.715 -12.735 1.00 14.26 C ATOM 1445 O VAL B 4 -3.466 16.780 -12.407 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.816 13.743 -11.187 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.606 14.221 -9.977 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.779 13.132 -12.215 1.00 10.41 C ATOM 0 H VAL B 4 -1.895 16.809 -10.820 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.208 14.548 -12.363 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.095 12.983 -10.885 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.144 13.380 -9.538 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.922 14.640 -9.238 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -4.318 14.986 -10.287 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.307 12.291 -11.765 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.500 13.886 -12.531 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.215 12.785 -13.080 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.223 15.186 -13.894 1.00 9.27 N ATOM 1459 CA GLU B 5 -4.109 15.874 -14.869 1.00 10.51 C ATOM 1460 C GLU B 5 -5.022 14.851 -15.518 1.00 10.00 C ATOM 1461 O GLU B 5 -4.603 14.044 -16.323 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.259 16.549 -15.943 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.748 17.884 -15.411 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.519 18.319 -16.210 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.713 17.462 -16.534 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -1.404 19.502 -16.486 1.00 19.38 O ATOM 0 H GLU B 5 -2.841 14.296 -14.214 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.706 16.627 -14.354 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.421 15.908 -16.217 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.849 16.705 -16.846 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.530 18.640 -15.487 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -2.494 17.793 -14.355 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.272 14.878 -15.181 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.205 13.900 -15.799 1.00 10.60 C ATOM 1475 C ILE B 6 -7.420 14.307 -17.265 1.00 10.16 C ATOM 1476 O ILE B 6 -8.179 15.207 -17.567 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.533 13.862 -15.005 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.487 12.687 -14.023 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.725 13.669 -15.939 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.240 13.203 -12.606 1.00 13.81 C ATOM 0 H ILE B 6 -6.689 15.526 -14.512 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.790 12.893 -15.771 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.650 14.809 -14.478 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.426 12.134 -14.060 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.697 11.993 -14.310 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.645 13.646 -15.355 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.767 14.494 -16.650 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.615 12.729 -16.480 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.209 12.362 -11.913 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.290 13.736 -12.573 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.045 13.879 -12.320 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.740 13.653 -18.177 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.879 13.997 -19.617 1.00 11.59 C ATOM 1494 C LYS B 7 -8.357 14.182 -19.968 1.00 12.98 C ATOM 1495 O LYS B 7 -9.223 13.874 -19.174 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.273 12.858 -20.440 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.841 13.220 -20.848 1.00 14.26 C ATOM 1498 CD LYS B 7 -4.066 13.752 -19.638 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.842 14.533 -20.121 1.00 19.19 C ATOM 1500 NZ LYS B 7 -2.228 15.256 -18.971 1.00 25.43 N ATOM 0 H LYS B 7 -6.092 12.891 -17.978 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.359 14.930 -19.837 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.274 11.936 -19.858 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.879 12.675 -21.327 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.338 12.343 -21.255 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.859 13.972 -21.637 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.707 14.396 -19.036 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.755 12.925 -19.000 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.116 13.853 -20.566 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.132 15.242 -20.897 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -1.529 15.941 -19.324 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -2.969 15.759 -18.442 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -1.757 14.573 -18.343 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.602 14.684 -21.153 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.971 14.926 -21.639 1.00 11.93 C ATOM 1516 C PRO B 8 -10.635 13.598 -21.990 1.00 10.20 C ATOM 1517 O PRO B 8 -11.839 13.449 -21.911 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.770 15.808 -22.875 1.00 12.78 C ATOM 1519 CG PRO B 8 -8.316 15.572 -23.345 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.543 15.046 -22.120 1.00 13.61 C ATOM 0 HA PRO B 8 -10.621 15.403 -20.905 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -10.480 15.545 -23.660 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.935 16.858 -22.634 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -8.284 14.852 -24.163 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.873 16.496 -23.716 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.927 14.184 -22.377 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.875 15.806 -21.714 1.00 13.61 H new ATOM 1528 N SER B 9 -9.852 12.627 -22.350 1.00 10.65 N ATOM 1529 CA SER B 9 -10.422 11.294 -22.677 1.00 10.83 C ATOM 1530 C SER B 9 -10.553 10.487 -21.384 1.00 10.94 C ATOM 1531 O SER B 9 -11.048 9.378 -21.377 1.00 13.16 O ATOM 1532 CB SER B 9 -9.495 10.560 -23.649 1.00 13.01 C ATOM 1533 OG SER B 9 -8.642 9.690 -22.916 1.00 15.52 O ATOM 0 H SER B 9 -8.838 12.697 -22.433 1.00 10.65 H new ATOM 0 HA SER B 9 -11.400 11.413 -23.143 1.00 10.83 H new ATOM 0 HB2 SER B 9 -10.082 9.991 -24.370 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.902 11.277 -24.216 1.00 13.01 H new ATOM 0 HG SER B 9 -8.048 9.217 -23.535 1.00 15.52 H new ATOM 1539 N GLN B 10 -10.116 11.045 -20.285 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.216 10.325 -18.989 1.00 11.55 C ATOM 1541 C GLN B 10 -11.093 11.134 -18.034 1.00 13.72 C ATOM 1542 O GLN B 10 -10.791 11.269 -16.867 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.829 10.165 -18.371 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.801 9.901 -19.467 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.855 8.429 -19.880 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.881 7.790 -19.763 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.784 7.861 -20.363 1.00 4.80 N ATOM 0 H GLN B 10 -9.693 11.972 -20.233 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.651 9.340 -19.160 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.561 11.065 -17.818 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.832 9.342 -17.657 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -8.002 10.538 -20.328 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.802 10.152 -19.110 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -5.922 8.398 -20.461 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -6.809 6.880 -20.642 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.168 11.690 -18.521 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.048 12.501 -17.631 1.00 18.95 C ATOM 1558 C ALA B 11 -14.315 11.713 -17.289 1.00 20.75 C ATOM 1559 O ALA B 11 -15.285 12.261 -16.804 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.432 13.800 -18.340 1.00 17.72 C ATOM 0 H ALA B 11 -12.475 11.619 -19.491 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.511 12.731 -16.711 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -14.075 14.393 -17.690 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.531 14.367 -18.574 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.964 13.567 -19.262 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.315 10.433 -17.535 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.519 9.616 -17.220 1.00 25.43 C ATOM 1568 C GLN B 12 -15.091 8.249 -16.693 1.00 22.80 C ATOM 1569 O GLN B 12 -14.082 7.705 -17.097 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.355 9.434 -18.484 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.301 10.621 -18.626 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.226 10.402 -19.824 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.009 10.955 -20.884 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.257 9.611 -19.700 1.00 47.90 N ATOM 0 H GLN B 12 -13.534 9.918 -17.940 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.111 10.126 -16.460 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.707 9.362 -19.357 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.922 8.505 -18.430 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.890 10.740 -17.717 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.730 11.540 -18.758 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.439 9.147 -18.810 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.880 9.457 -20.493 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.849 7.689 -15.792 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.486 6.361 -15.240 1.00 20.51 C ATOM 1585 C PHE B 13 -16.197 5.267 -16.029 1.00 18.83 C ATOM 1586 O PHE B 13 -17.201 5.500 -16.672 1.00 18.83 O ATOM 1587 CB PHE B 13 -15.939 6.287 -13.788 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.423 6.565 -13.740 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.338 5.548 -14.036 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.884 7.847 -13.416 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.711 5.813 -14.004 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.255 8.112 -13.385 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.167 7.096 -13.678 1.00 18.48 C ATOM 0 H PHE B 13 -16.705 8.097 -15.416 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.407 6.223 -15.308 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.723 5.303 -13.373 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.397 7.014 -13.183 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -17.984 4.559 -14.289 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.178 8.632 -13.190 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.418 5.029 -14.230 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.609 9.101 -13.135 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.227 7.300 -13.653 1.00 18.48 H new ATOM 1603 N THR B 14 -15.696 4.070 -15.966 1.00 14.89 N ATOM 1604 CA THR B 14 -16.349 2.950 -16.688 1.00 13.37 C ATOM 1605 C THR B 14 -16.423 1.749 -15.752 1.00 11.97 C ATOM 1606 O THR B 14 -15.733 1.687 -14.754 1.00 10.76 O ATOM 1607 CB THR B 14 -15.539 2.583 -17.933 1.00 13.68 C ATOM 1608 OG1 THR B 14 -16.161 1.491 -18.595 1.00 13.48 O ATOM 1609 CG2 THR B 14 -14.120 2.192 -17.523 1.00 9.24 C ATOM 0 H THR B 14 -14.858 3.818 -15.443 1.00 14.89 H new ATOM 0 HA THR B 14 -17.350 3.247 -17.000 1.00 13.37 H new ATOM 0 HB THR B 14 -15.497 3.440 -18.606 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.644 1.256 -19.394 1.00 13.48 H new ATOM 0 HG21 THR B 14 -13.544 1.931 -18.411 1.00 9.24 H new ATOM 0 HG22 THR B 14 -13.644 3.031 -17.015 1.00 9.24 H new ATOM 0 HG23 THR B 14 -14.159 1.335 -16.850 1.00 9.24 H new ATOM 1617 N THR B 15 -17.252 0.797 -16.056 1.00 13.20 N ATOM 1618 CA THR B 15 -17.363 -0.393 -15.171 1.00 12.54 C ATOM 1619 C THR B 15 -16.411 -1.482 -15.671 1.00 14.34 C ATOM 1620 O THR B 15 -16.528 -1.954 -16.784 1.00 17.35 O ATOM 1621 CB THR B 15 -18.800 -0.917 -15.201 1.00 11.88 C ATOM 1622 OG1 THR B 15 -19.643 0.052 -15.809 1.00 17.15 O ATOM 1623 CG2 THR B 15 -19.277 -1.185 -13.773 1.00 8.30 C ATOM 0 H THR B 15 -17.857 0.789 -16.877 1.00 13.20 H new ATOM 0 HA THR B 15 -17.100 -0.118 -14.150 1.00 12.54 H new ATOM 0 HB THR B 15 -18.837 -1.843 -15.774 1.00 11.88 H new ATOM 0 HG1 THR B 15 -20.564 -0.283 -15.831 1.00 17.15 H new ATOM 0 HG21 THR B 15 -20.301 -1.558 -13.795 1.00 8.30 H new ATOM 0 HG22 THR B 15 -18.630 -1.928 -13.307 1.00 8.30 H new ATOM 0 HG23 THR B 15 -19.241 -0.260 -13.198 1.00 8.30 H new ATOM 1631 N ARG B 16 -15.467 -1.883 -14.864 1.00 15.28 N ATOM 1632 CA ARG B 16 -14.514 -2.939 -15.310 1.00 15.21 C ATOM 1633 C ARG B 16 -14.115 -3.817 -14.123 1.00 16.91 C ATOM 1634 O ARG B 16 -13.089 -3.615 -13.503 1.00 17.29 O ATOM 1635 CB ARG B 16 -13.266 -2.282 -15.903 1.00 15.77 C ATOM 1636 CG ARG B 16 -13.129 -2.681 -17.374 1.00 21.61 C ATOM 1637 CD ARG B 16 -12.670 -4.137 -17.470 1.00 24.15 C ATOM 1638 NE ARG B 16 -12.075 -4.381 -18.815 1.00 30.82 N ATOM 1639 CZ ARG B 16 -11.360 -5.452 -19.032 1.00 29.13 C ATOM 1640 NH1 ARG B 16 -11.165 -6.318 -18.074 1.00 34.38 N ATOM 1641 NH2 ARG B 16 -10.840 -5.659 -20.211 1.00 25.71 N ATOM 0 H ARG B 16 -15.315 -1.528 -13.920 1.00 15.28 H new ATOM 0 HA ARG B 16 -14.995 -3.559 -16.066 1.00 15.21 H new ATOM 0 HB2 ARG B 16 -13.336 -1.198 -15.814 1.00 15.77 H new ATOM 0 HB3 ARG B 16 -12.381 -2.591 -15.347 1.00 15.77 H new ATOM 0 HG2 ARG B 16 -14.083 -2.555 -17.886 1.00 21.61 H new ATOM 0 HG3 ARG B 16 -12.412 -2.029 -17.873 1.00 21.61 H new ATOM 0 HD2 ARG B 16 -11.937 -4.351 -16.692 1.00 24.15 H new ATOM 0 HD3 ARG B 16 -13.514 -4.807 -17.306 1.00 24.15 H new ATOM 0 HE ARG B 16 -12.227 -3.710 -19.568 1.00 30.82 H new ATOM 0 HH11 ARG B 16 -11.572 -6.159 -17.152 1.00 34.38 H new ATOM 0 HH12 ARG B 16 -10.606 -7.153 -18.248 1.00 34.38 H new ATOM 0 HH21 ARG B 16 -10.992 -4.985 -20.961 1.00 25.71 H new ATOM 0 HH22 ARG B 16 -10.281 -6.495 -20.382 1.00 25.71 H new ATOM 1655 N SER B 17 -14.913 -4.801 -13.813 1.00 22.35 N ATOM 1656 CA SER B 17 -14.582 -5.709 -12.677 1.00 28.62 C ATOM 1657 C SER B 17 -14.378 -4.900 -11.396 1.00 31.32 C ATOM 1658 O SER B 17 -14.153 -3.706 -11.426 1.00 33.90 O ATOM 1659 CB SER B 17 -13.299 -6.480 -13.001 1.00 30.78 C ATOM 1660 OG SER B 17 -13.474 -7.191 -14.219 1.00 38.77 O ATOM 0 H SER B 17 -15.783 -5.017 -14.299 1.00 22.35 H new ATOM 0 HA SER B 17 -15.406 -6.407 -12.528 1.00 28.62 H new ATOM 0 HB2 SER B 17 -12.459 -5.791 -13.086 1.00 30.78 H new ATOM 0 HB3 SER B 17 -13.063 -7.172 -12.193 1.00 30.78 H new ATOM 0 HG SER B 17 -12.654 -7.684 -14.430 1.00 38.77 H new ATOM 1666 N GLY B 18 -14.457 -5.552 -10.270 1.00 32.28 N ATOM 1667 CA GLY B 18 -14.273 -4.846 -8.971 1.00 32.82 C ATOM 1668 C GLY B 18 -14.391 -5.851 -7.827 1.00 34.58 C ATOM 1669 O GLY B 18 -14.953 -6.915 -7.986 1.00 34.04 O ATOM 0 H GLY B 18 -14.643 -6.552 -10.193 1.00 32.28 H new ATOM 0 HA2 GLY B 18 -13.298 -4.360 -8.944 1.00 32.82 H new ATOM 0 HA3 GLY B 18 -15.023 -4.063 -8.861 1.00 32.82 H new ATOM 1673 N VAL B 19 -13.882 -5.521 -6.671 1.00 36.31 N ATOM 1674 CA VAL B 19 -13.990 -6.461 -5.520 1.00 38.94 C ATOM 1675 C VAL B 19 -13.833 -5.685 -4.212 1.00 39.44 C ATOM 1676 O VAL B 19 -12.814 -5.073 -3.958 1.00 39.08 O ATOM 1677 CB VAL B 19 -12.901 -7.537 -5.607 1.00 39.83 C ATOM 1678 CG1 VAL B 19 -13.437 -8.849 -5.031 1.00 41.87 C ATOM 1679 CG2 VAL B 19 -12.492 -7.751 -7.068 1.00 39.95 C ATOM 0 H VAL B 19 -13.398 -4.645 -6.475 1.00 36.31 H new ATOM 0 HA VAL B 19 -14.967 -6.943 -5.549 1.00 38.94 H new ATOM 0 HB VAL B 19 -12.031 -7.213 -5.036 1.00 39.83 H new ATOM 0 HG11 VAL B 19 -12.664 -9.616 -5.092 1.00 41.87 H new ATOM 0 HG12 VAL B 19 -13.719 -8.700 -3.989 1.00 41.87 H new ATOM 0 HG13 VAL B 19 -14.310 -9.167 -5.601 1.00 41.87 H new ATOM 0 HG21 VAL B 19 -11.718 -8.517 -7.121 1.00 39.95 H new ATOM 0 HG22 VAL B 19 -13.359 -8.071 -7.645 1.00 39.95 H new ATOM 0 HG23 VAL B 19 -12.107 -6.817 -7.479 1.00 39.95 H new ATOM 1689 N SER B 20 -14.837 -5.704 -3.378 1.00 41.09 N ATOM 1690 CA SER B 20 -14.750 -4.969 -2.087 1.00 44.70 C ATOM 1691 C SER B 20 -13.559 -5.489 -1.279 1.00 47.21 C ATOM 1692 O SER B 20 -12.520 -4.863 -1.214 1.00 47.07 O ATOM 1693 CB SER B 20 -16.038 -5.184 -1.290 1.00 44.37 C ATOM 1694 OG SER B 20 -17.126 -4.592 -1.988 1.00 46.57 O ATOM 0 H SER B 20 -15.715 -6.198 -3.537 1.00 41.09 H new ATOM 0 HA SER B 20 -14.617 -3.905 -2.285 1.00 44.70 H new ATOM 0 HB2 SER B 20 -16.218 -6.250 -1.149 1.00 44.37 H new ATOM 0 HB3 SER B 20 -15.944 -4.742 -0.298 1.00 44.37 H new ATOM 0 HG SER B 20 -16.799 -4.182 -2.816 1.00 46.57 H new ATOM 1700 N ARG B 21 -13.703 -6.630 -0.660 1.00 50.78 N ATOM 1701 CA ARG B 21 -12.579 -7.188 0.146 1.00 55.55 C ATOM 1702 C ARG B 21 -12.311 -8.632 -0.284 1.00 55.58 C ATOM 1703 O ARG B 21 -12.422 -9.554 0.499 1.00 54.47 O ATOM 1704 CB ARG B 21 -12.950 -7.161 1.631 1.00 59.49 C ATOM 1705 CG ARG B 21 -13.624 -5.829 1.977 1.00 60.53 C ATOM 1706 CD ARG B 21 -14.613 -6.037 3.128 1.00 64.36 C ATOM 1707 NE ARG B 21 -15.931 -5.443 2.765 1.00 68.68 N ATOM 1708 CZ ARG B 21 -17.000 -5.750 3.451 1.00 71.11 C ATOM 1709 NH1 ARG B 21 -16.921 -6.582 4.454 1.00 70.71 N ATOM 1710 NH2 ARG B 21 -18.152 -5.225 3.131 1.00 71.56 N ATOM 0 H ARG B 21 -14.549 -7.199 -0.678 1.00 50.78 H new ATOM 0 HA ARG B 21 -11.684 -6.587 -0.016 1.00 55.55 H new ATOM 0 HB2 ARG B 21 -13.621 -7.989 1.862 1.00 59.49 H new ATOM 0 HB3 ARG B 21 -12.056 -7.295 2.240 1.00 59.49 H new ATOM 0 HG2 ARG B 21 -12.872 -5.092 2.259 1.00 60.53 H new ATOM 0 HG3 ARG B 21 -14.144 -5.436 1.104 1.00 60.53 H new ATOM 0 HD2 ARG B 21 -14.727 -7.101 3.336 1.00 64.36 H new ATOM 0 HD3 ARG B 21 -14.231 -5.573 4.038 1.00 64.36 H new ATOM 0 HE ARG B 21 -15.999 -4.796 1.980 1.00 68.68 H new ATOM 0 HH11 ARG B 21 -16.023 -6.995 4.705 1.00 70.71 H new ATOM 0 HH12 ARG B 21 -17.758 -6.819 4.987 1.00 70.71 H new ATOM 0 HH21 ARG B 21 -18.217 -4.576 2.347 1.00 71.56 H new ATOM 0 HH22 ARG B 21 -18.987 -5.464 3.665 1.00 71.56 H new ATOM 1724 N GLN B 22 -11.962 -8.837 -1.525 1.00 57.32 N ATOM 1725 CA GLN B 22 -11.690 -10.222 -2.007 1.00 58.73 C ATOM 1726 C GLN B 22 -12.820 -11.152 -1.557 1.00 58.18 C ATOM 1727 O GLN B 22 -12.647 -12.350 -1.453 1.00 59.52 O ATOM 1728 CB GLN B 22 -10.360 -10.716 -1.433 1.00 62.32 C ATOM 1729 CG GLN B 22 -9.216 -10.290 -2.356 1.00 65.12 C ATOM 1730 CD GLN B 22 -8.542 -11.532 -2.943 1.00 66.38 C ATOM 1731 OE1 GLN B 22 -7.392 -11.804 -2.659 1.00 66.60 O ATOM 1732 NE2 GLN B 22 -9.212 -12.301 -3.756 1.00 65.96 N ATOM 0 H GLN B 22 -11.853 -8.105 -2.227 1.00 57.32 H new ATOM 0 HA GLN B 22 -11.634 -10.220 -3.096 1.00 58.73 H new ATOM 0 HB2 GLN B 22 -10.208 -10.306 -0.435 1.00 62.32 H new ATOM 0 HB3 GLN B 22 -10.376 -11.801 -1.333 1.00 62.32 H new ATOM 0 HG2 GLN B 22 -9.598 -9.658 -3.158 1.00 65.12 H new ATOM 0 HG3 GLN B 22 -8.489 -9.697 -1.801 1.00 65.12 H new ATOM 0 HE21 GLN B 22 -10.177 -12.073 -3.994 1.00 65.96 H new ATOM 0 HE22 GLN B 22 -8.771 -13.130 -4.153 1.00 65.96 H new ATOM 1741 N GLY B 23 -13.978 -10.609 -1.294 1.00 55.49 N ATOM 1742 CA GLY B 23 -15.120 -11.458 -0.858 1.00 50.89 C ATOM 1743 C GLY B 23 -16.091 -11.633 -2.027 1.00 48.17 C ATOM 1744 O GLY B 23 -16.583 -12.713 -2.286 1.00 50.32 O ATOM 0 H GLY B 23 -14.181 -9.612 -1.363 1.00 55.49 H new ATOM 0 HA2 GLY B 23 -14.759 -12.430 -0.521 1.00 50.89 H new ATOM 0 HA3 GLY B 23 -15.630 -10.997 -0.012 1.00 50.89 H new ATOM 1748 N LYS B 24 -16.364 -10.574 -2.738 1.00 44.99 N ATOM 1749 CA LYS B 24 -17.295 -10.666 -3.896 1.00 42.22 C ATOM 1750 C LYS B 24 -16.982 -9.533 -4.878 1.00 42.41 C ATOM 1751 O LYS B 24 -16.388 -8.541 -4.507 1.00 42.26 O ATOM 1752 CB LYS B 24 -18.741 -10.541 -3.408 1.00 40.33 C ATOM 1753 CG LYS B 24 -18.793 -9.623 -2.185 1.00 40.86 C ATOM 1754 CD LYS B 24 -20.087 -8.808 -2.213 1.00 37.00 C ATOM 1755 CE LYS B 24 -20.748 -8.848 -0.834 1.00 36.58 C ATOM 1756 NZ LYS B 24 -21.358 -7.521 -0.537 1.00 34.22 N ATOM 0 H LYS B 24 -15.980 -9.645 -2.565 1.00 44.99 H new ATOM 0 HA LYS B 24 -17.170 -11.628 -4.392 1.00 42.22 H new ATOM 0 HB2 LYS B 24 -19.370 -10.140 -4.203 1.00 40.33 H new ATOM 0 HB3 LYS B 24 -19.136 -11.525 -3.154 1.00 40.33 H new ATOM 0 HG2 LYS B 24 -18.743 -10.214 -1.271 1.00 40.86 H new ATOM 0 HG3 LYS B 24 -17.931 -8.956 -2.181 1.00 40.86 H new ATOM 0 HD2 LYS B 24 -19.873 -7.777 -2.495 1.00 37.00 H new ATOM 0 HD3 LYS B 24 -20.766 -9.210 -2.965 1.00 37.00 H new ATOM 0 HE2 LYS B 24 -21.512 -9.625 -0.807 1.00 36.58 H new ATOM 0 HE3 LYS B 24 -20.010 -9.100 -0.072 1.00 36.58 H new ATOM 0 HZ1 LYS B 24 -21.808 -7.548 0.400 1.00 34.22 H new ATOM 0 HZ2 LYS B 24 -20.619 -6.789 -0.546 1.00 34.22 H new ATOM 0 HZ3 LYS B 24 -22.074 -7.299 -1.258 1.00 34.22 H new ATOM 1770 N PRO B 25 -17.388 -9.719 -6.107 1.00 42.36 N ATOM 1771 CA PRO B 25 -17.160 -8.731 -7.175 1.00 40.32 C ATOM 1772 C PRO B 25 -18.137 -7.558 -7.046 1.00 36.91 C ATOM 1773 O PRO B 25 -19.187 -7.678 -6.447 1.00 36.63 O ATOM 1774 CB PRO B 25 -17.413 -9.520 -8.458 1.00 42.73 C ATOM 1775 CG PRO B 25 -18.298 -10.718 -8.060 1.00 43.71 C ATOM 1776 CD PRO B 25 -18.110 -10.927 -6.547 1.00 44.10 C ATOM 0 HA PRO B 25 -16.163 -8.292 -7.143 1.00 40.32 H new ATOM 0 HB2 PRO B 25 -17.910 -8.900 -9.204 1.00 42.73 H new ATOM 0 HB3 PRO B 25 -16.475 -9.858 -8.898 1.00 42.73 H new ATOM 0 HG2 PRO B 25 -19.344 -10.521 -8.296 1.00 43.71 H new ATOM 0 HG3 PRO B 25 -18.009 -11.612 -8.613 1.00 43.71 H new ATOM 0 HD2 PRO B 25 -19.067 -11.028 -6.036 1.00 44.10 H new ATOM 0 HD3 PRO B 25 -17.540 -11.832 -6.337 1.00 44.10 H new ATOM 1784 N TYR B 26 -17.803 -6.424 -7.605 1.00 32.09 N ATOM 1785 CA TYR B 26 -18.723 -5.255 -7.508 1.00 27.86 C ATOM 1786 C TYR B 26 -18.378 -4.223 -8.577 1.00 26.29 C ATOM 1787 O TYR B 26 -18.314 -3.047 -8.294 1.00 28.07 O ATOM 1788 CB TYR B 26 -18.612 -4.626 -6.111 1.00 23.99 C ATOM 1789 CG TYR B 26 -17.382 -3.736 -5.994 1.00 24.09 C ATOM 1790 CD1 TYR B 26 -16.282 -3.908 -6.839 1.00 24.19 C ATOM 1791 CD2 TYR B 26 -17.357 -2.739 -5.009 1.00 24.63 C ATOM 1792 CE1 TYR B 26 -15.158 -3.081 -6.702 1.00 24.77 C ATOM 1793 CE2 TYR B 26 -16.234 -1.917 -4.871 1.00 24.84 C ATOM 1794 CZ TYR B 26 -15.134 -2.088 -5.718 1.00 24.25 C ATOM 1795 OH TYR B 26 -14.027 -1.277 -5.582 1.00 29.25 O ATOM 0 H TYR B 26 -16.939 -6.258 -8.121 1.00 32.09 H new ATOM 0 HA TYR B 26 -19.747 -5.593 -7.669 1.00 27.86 H new ATOM 0 HB2 TYR B 26 -19.507 -4.040 -5.903 1.00 23.99 H new ATOM 0 HB3 TYR B 26 -18.565 -5.414 -5.359 1.00 23.99 H new ATOM 0 HD1 TYR B 26 -16.298 -4.677 -7.597 1.00 24.19 H new ATOM 0 HD2 TYR B 26 -18.206 -2.605 -4.356 1.00 24.63 H new ATOM 0 HE1 TYR B 26 -14.310 -3.211 -7.357 1.00 24.77 H new ATOM 0 HE2 TYR B 26 -16.216 -1.150 -4.111 1.00 24.84 H new ATOM 0 HH TYR B 26 -14.176 -0.640 -4.852 1.00 29.25 H new ATOM 1805 N SER B 27 -18.159 -4.680 -9.791 1.00 24.52 N ATOM 1806 CA SER B 27 -17.804 -3.781 -10.947 1.00 22.20 C ATOM 1807 C SER B 27 -17.908 -2.299 -10.566 1.00 20.52 C ATOM 1808 O SER B 27 -18.831 -1.612 -10.954 1.00 23.07 O ATOM 1809 CB SER B 27 -18.758 -4.065 -12.108 1.00 25.30 C ATOM 1810 OG SER B 27 -19.164 -5.426 -12.060 1.00 29.25 O ATOM 0 H SER B 27 -18.213 -5.668 -10.037 1.00 24.52 H new ATOM 0 HA SER B 27 -16.772 -3.986 -11.232 1.00 22.20 H new ATOM 0 HB2 SER B 27 -19.628 -3.412 -12.047 1.00 25.30 H new ATOM 0 HB3 SER B 27 -18.267 -3.853 -13.058 1.00 25.30 H new ATOM 0 HG SER B 27 -19.777 -5.611 -12.802 1.00 29.25 H new ATOM 1816 N LEU B 28 -16.974 -1.807 -9.796 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.023 -0.380 -9.378 1.00 16.31 C ATOM 1818 C LEU B 28 -16.541 0.520 -10.518 1.00 14.21 C ATOM 1819 O LEU B 28 -15.646 0.173 -11.263 1.00 16.97 O ATOM 1820 CB LEU B 28 -16.121 -0.189 -8.161 1.00 16.48 C ATOM 1821 CG LEU B 28 -16.914 0.443 -7.018 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -17.359 1.851 -7.419 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -18.144 -0.416 -6.712 1.00 22.01 C ATOM 0 H LEU B 28 -16.178 -2.335 -9.439 1.00 18.57 H new ATOM 0 HA LEU B 28 -18.049 -0.111 -9.128 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -15.714 -1.150 -7.845 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -15.274 0.446 -8.422 1.00 16.48 H new ATOM 0 HG LEU B 28 -16.284 0.503 -6.130 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -17.924 2.300 -6.603 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -16.482 2.463 -7.633 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.988 1.795 -8.308 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -18.709 0.035 -5.897 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -18.774 -0.478 -7.599 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.826 -1.417 -6.422 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.127 1.678 -10.652 1.00 11.64 N ATOM 1836 CA ASN B 29 -16.708 2.612 -11.736 1.00 9.77 C ATOM 1837 C ASN B 29 -15.222 2.950 -11.572 1.00 7.94 C ATOM 1838 O ASN B 29 -14.773 3.314 -10.503 1.00 10.52 O ATOM 1839 CB ASN B 29 -17.529 3.900 -11.635 1.00 14.73 C ATOM 1840 CG ASN B 29 -18.972 3.624 -12.058 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.242 2.662 -12.750 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.919 4.433 -11.667 1.00 12.89 N ATOM 0 H ASN B 29 -17.881 2.019 -10.055 1.00 11.64 H new ATOM 0 HA ASN B 29 -16.872 2.143 -12.706 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.505 4.279 -10.613 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.094 4.671 -12.271 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.885 4.258 -11.942 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.693 5.240 -11.086 1.00 12.89 H new ATOM 1849 N GLU B 30 -14.458 2.840 -12.623 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.005 3.162 -12.531 1.00 13.16 C ATOM 1851 C GLU B 30 -12.677 4.278 -13.529 1.00 12.26 C ATOM 1852 O GLU B 30 -13.335 4.429 -14.539 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.185 1.915 -12.868 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.516 0.803 -11.869 1.00 27.13 C ATOM 1855 CD GLU B 30 -12.942 -0.456 -12.627 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -14.074 -0.495 -13.081 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -12.130 -1.359 -12.740 1.00 40.03 O ATOM 0 H GLU B 30 -14.777 2.540 -13.544 1.00 8.58 H new ATOM 0 HA GLU B 30 -12.762 3.490 -11.520 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -12.406 1.585 -13.883 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.120 2.146 -12.832 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -11.647 0.589 -11.247 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.315 1.126 -11.201 1.00 27.13 H new ATOM 1864 N GLN B 31 -11.673 5.065 -13.255 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.320 6.172 -14.192 1.00 9.46 C ATOM 1866 C GLN B 31 -9.810 6.177 -14.445 1.00 10.09 C ATOM 1867 O GLN B 31 -9.099 5.274 -14.051 1.00 9.36 O ATOM 1868 CB GLN B 31 -11.731 7.511 -13.570 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.535 8.329 -14.582 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.668 9.471 -15.113 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.668 9.236 -15.763 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.008 10.706 -14.858 1.00 12.39 N ATOM 0 H GLN B 31 -11.083 4.991 -12.426 1.00 10.34 H new ATOM 0 HA GLN B 31 -11.844 6.025 -15.136 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.327 7.338 -12.674 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -10.845 8.066 -13.262 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.861 7.692 -15.404 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.434 8.728 -14.112 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.847 10.902 -14.312 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.434 11.475 -15.204 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.318 7.196 -15.096 1.00 6.80 N ATOM 1882 CA LEU B 32 -7.856 7.278 -15.375 1.00 10.34 C ATOM 1883 C LEU B 32 -7.350 8.663 -14.959 1.00 9.02 C ATOM 1884 O LEU B 32 -8.121 9.520 -14.574 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.612 7.061 -16.871 1.00 10.20 C ATOM 1886 CG LEU B 32 -7.633 5.564 -17.189 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.005 5.180 -17.749 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -6.552 5.250 -18.227 1.00 15.89 C ATOM 0 H LEU B 32 -9.869 7.979 -15.448 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.323 6.511 -14.813 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.377 7.576 -17.452 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.652 7.489 -17.158 1.00 10.20 H new ATOM 0 HG LEU B 32 -7.441 4.996 -16.279 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.020 4.114 -17.976 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -9.775 5.405 -17.011 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -9.198 5.747 -18.660 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -6.565 4.184 -18.455 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.745 5.818 -19.137 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -5.575 5.524 -17.829 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.065 8.898 -15.028 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.532 10.228 -14.629 1.00 8.10 C ATOM 1902 C CYS B 33 -4.054 10.293 -14.996 1.00 6.34 C ATOM 1903 O CYS B 33 -3.421 9.285 -15.225 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.679 10.451 -13.115 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.114 8.908 -12.267 1.00 13.84 S ATOM 0 H CYS B 33 -5.366 8.226 -15.343 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.097 11.001 -15.150 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.746 10.842 -12.710 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.447 11.202 -12.928 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.193 8.616 -11.397 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.495 11.467 -15.049 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.055 11.590 -15.402 1.00 7.08 C ATOM 1913 C TYR B 34 -1.297 12.135 -14.195 1.00 7.71 C ATOM 1914 O TYR B 34 -1.166 13.330 -14.025 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.899 12.566 -16.563 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.012 11.850 -17.891 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -2.877 10.766 -18.052 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -1.247 12.305 -18.976 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -2.972 10.134 -19.296 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -1.343 11.673 -20.213 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.202 10.590 -20.373 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.297 9.964 -21.599 1.00 21.14 O ATOM 0 H TYR B 34 -3.973 12.348 -14.863 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.661 10.614 -15.687 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.663 13.341 -16.497 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.932 13.065 -16.496 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.470 10.417 -17.220 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -0.582 13.147 -18.851 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -3.639 9.295 -19.426 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -0.752 12.023 -21.047 1.00 16.38 H new ATOM 0 HH TYR B 34 -1.698 10.404 -22.238 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.808 11.277 -13.349 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.076 11.763 -12.147 1.00 10.66 C ATOM 1934 C VAL B 35 1.411 11.907 -12.457 1.00 10.57 C ATOM 1935 O VAL B 35 2.080 10.951 -12.796 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.257 10.771 -10.999 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.565 11.237 -9.794 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.738 10.707 -10.614 1.00 9.86 C ATOM 0 H VAL B 35 -0.882 10.263 -13.435 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.478 12.735 -11.861 1.00 10.66 H new ATOM 0 HB VAL B 35 0.081 9.783 -11.310 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.438 10.532 -8.973 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.618 11.288 -10.070 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.224 12.224 -9.481 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.871 10.000 -9.795 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.075 11.695 -10.299 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.324 10.381 -11.474 1.00 9.86 H new ATOM 1948 N ASP B 36 1.940 13.096 -12.333 1.00 8.58 N ATOM 1949 CA ASP B 36 3.378 13.292 -12.603 1.00 11.48 C ATOM 1950 C ASP B 36 4.177 12.579 -11.515 1.00 12.38 C ATOM 1951 O ASP B 36 5.267 12.097 -11.743 1.00 11.89 O ATOM 1952 CB ASP B 36 3.707 14.787 -12.591 1.00 16.17 C ATOM 1953 CG ASP B 36 2.783 15.522 -13.564 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.689 15.091 -14.701 1.00 15.67 O ATOM 1955 OD2 ASP B 36 2.184 16.503 -13.155 1.00 25.89 O ATOM 0 H ASP B 36 1.431 13.935 -12.056 1.00 8.58 H new ATOM 0 HA ASP B 36 3.633 12.884 -13.581 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.586 15.188 -11.585 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.748 14.943 -12.874 1.00 16.17 H new ATOM 1960 N LEU B 37 3.632 12.506 -10.331 1.00 13.17 N ATOM 1961 CA LEU B 37 4.347 11.823 -9.220 1.00 18.47 C ATOM 1962 C LEU B 37 5.786 12.328 -9.162 1.00 21.14 C ATOM 1963 O LEU B 37 6.691 11.612 -8.782 1.00 24.24 O ATOM 1964 CB LEU B 37 4.350 10.316 -9.463 1.00 15.81 C ATOM 1965 CG LEU B 37 4.845 9.605 -8.206 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.666 8.920 -7.514 1.00 14.72 C ATOM 1967 CD2 LEU B 37 5.893 8.556 -8.591 1.00 20.01 C ATOM 0 H LEU B 37 2.720 12.892 -10.087 1.00 13.17 H new ATOM 0 HA LEU B 37 3.843 12.037 -8.277 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.346 9.975 -9.717 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.993 10.073 -10.309 1.00 15.81 H new ATOM 0 HG LEU B 37 5.293 10.332 -7.528 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.017 8.411 -6.616 1.00 14.72 H new ATOM 0 HD12 LEU B 37 2.921 9.667 -7.240 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.219 8.193 -8.192 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.246 8.048 -7.694 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.447 7.828 -9.268 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.732 9.045 -9.086 1.00 20.01 H new ATOM 1979 N GLY B 38 6.005 13.555 -9.536 1.00 20.70 N ATOM 1980 CA GLY B 38 7.384 14.103 -9.505 1.00 23.91 C ATOM 1981 C GLY B 38 8.221 13.440 -10.604 1.00 26.50 C ATOM 1982 O GLY B 38 9.425 13.593 -10.659 1.00 31.02 O ATOM 0 H GLY B 38 5.287 14.202 -9.862 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.361 15.183 -9.652 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.837 13.923 -8.530 1.00 23.91 H new ATOM 1986 N ASN B 39 7.591 12.693 -11.476 1.00 27.64 N ATOM 1987 CA ASN B 39 8.344 12.008 -12.565 1.00 30.27 C ATOM 1988 C ASN B 39 8.611 12.970 -13.728 1.00 26.79 C ATOM 1989 O ASN B 39 8.992 12.560 -14.807 1.00 26.87 O ATOM 1990 CB ASN B 39 7.533 10.811 -13.074 1.00 35.62 C ATOM 1991 CG ASN B 39 6.899 10.073 -11.892 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.242 10.321 -10.753 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.980 9.169 -12.116 1.00 39.63 N ATOM 0 H ASN B 39 6.584 12.529 -11.478 1.00 27.64 H new ATOM 0 HA ASN B 39 9.299 11.668 -12.165 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.757 11.151 -13.760 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.179 10.134 -13.633 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.552 8.673 -11.335 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.692 8.961 -13.072 1.00 39.63 H new ATOM 2000 N GLU B 40 8.425 14.240 -13.519 1.00 25.15 N ATOM 2001 CA GLU B 40 8.677 15.229 -14.612 1.00 23.81 C ATOM 2002 C GLU B 40 7.820 14.890 -15.838 1.00 21.12 C ATOM 2003 O GLU B 40 8.053 15.379 -16.925 1.00 19.86 O ATOM 2004 CB GLU B 40 10.156 15.189 -14.998 1.00 27.22 C ATOM 2005 CG GLU B 40 11.010 15.101 -13.732 1.00 34.87 C ATOM 2006 CD GLU B 40 12.465 15.429 -14.072 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.687 16.435 -14.725 1.00 42.34 O ATOM 2008 OE2 GLU B 40 13.332 14.669 -13.674 1.00 39.54 O ATOM 0 H GLU B 40 8.108 14.642 -12.637 1.00 25.15 H new ATOM 0 HA GLU B 40 8.414 16.226 -14.260 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.352 14.332 -15.642 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.419 16.081 -15.566 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.636 15.796 -12.980 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.942 14.101 -13.304 1.00 34.87 H new ATOM 2015 N HIS B 41 6.829 14.063 -15.664 1.00 2.84 N ATOM 2016 CA HIS B 41 5.940 13.685 -16.800 1.00 2.76 C ATOM 2017 C HIS B 41 4.690 13.037 -16.216 1.00 1.97 C ATOM 2018 O HIS B 41 4.761 12.423 -15.173 1.00 1.11 O ATOM 2019 CB HIS B 41 6.655 12.682 -17.711 1.00 3.33 C ATOM 2020 CG HIS B 41 7.721 13.386 -18.502 1.00 3.15 C ATOM 2021 ND1 HIS B 41 9.044 13.422 -18.093 1.00 3.62 N ATOM 2022 CD2 HIS B 41 7.674 14.083 -19.683 1.00 4.40 C ATOM 2023 CE1 HIS B 41 9.734 14.119 -19.014 1.00 5.35 C ATOM 2024 NE2 HIS B 41 8.947 14.545 -20.005 1.00 6.15 N ATOM 0 H HIS B 41 6.593 13.627 -14.773 1.00 2.84 H new ATOM 0 HA HIS B 41 5.681 14.566 -17.387 1.00 2.76 H new ATOM 0 HB2 HIS B 41 7.098 11.885 -17.114 1.00 3.33 H new ATOM 0 HB3 HIS B 41 5.938 12.213 -18.385 1.00 3.33 H new ATOM 0 HD2 HIS B 41 6.785 14.248 -20.273 1.00 4.40 H new ATOM 0 HE1 HIS B 41 10.795 14.311 -18.959 1.00 5.35 H new ATOM 0 HE2 HIS B 41 9.220 15.091 -20.822 1.00 6.15 H new ATOM 2032 N PRO B 42 3.581 13.188 -16.888 1.00 15.11 N ATOM 2033 CA PRO B 42 2.311 12.622 -16.416 1.00 16.08 C ATOM 2034 C PRO B 42 2.281 11.121 -16.634 1.00 17.92 C ATOM 2035 O PRO B 42 2.812 10.609 -17.600 1.00 17.13 O ATOM 2036 CB PRO B 42 1.259 13.289 -17.289 1.00 16.41 C ATOM 2037 CG PRO B 42 1.991 13.757 -18.564 1.00 13.79 C ATOM 2038 CD PRO B 42 3.480 13.908 -18.174 1.00 16.28 C ATOM 0 HA PRO B 42 2.154 12.792 -15.351 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.458 12.592 -17.534 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.801 14.132 -16.771 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.871 13.033 -19.370 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.584 14.703 -18.922 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.137 13.475 -18.928 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.762 14.956 -18.069 1.00 16.28 H new ATOM 2046 N VAL B 43 1.648 10.412 -15.756 1.00 16.29 N ATOM 2047 CA VAL B 43 1.566 8.951 -15.926 1.00 14.28 C ATOM 2048 C VAL B 43 0.105 8.541 -15.939 1.00 9.00 C ATOM 2049 O VAL B 43 -0.607 8.700 -14.968 1.00 7.99 O ATOM 2050 CB VAL B 43 2.283 8.262 -14.771 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.702 8.819 -14.642 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.513 8.518 -13.472 1.00 20.57 C ATOM 0 H VAL B 43 1.184 10.783 -14.927 1.00 16.29 H new ATOM 0 HA VAL B 43 2.039 8.659 -16.863 1.00 14.28 H new ATOM 0 HB VAL B 43 2.333 7.190 -14.961 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.213 8.325 -13.816 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.249 8.638 -15.567 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.656 9.891 -14.451 1.00 18.07 H new ATOM 0 HG21 VAL B 43 2.023 8.026 -12.644 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.464 9.590 -13.283 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.503 8.120 -13.563 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.350 8.015 -17.032 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.763 7.599 -17.100 1.00 11.55 C ATOM 2064 C LEU B 44 -1.962 6.397 -16.184 1.00 10.61 C ATOM 2065 O LEU B 44 -1.555 5.293 -16.487 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.119 7.231 -18.529 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.569 6.763 -18.575 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.464 7.778 -17.858 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.014 6.628 -20.032 1.00 20.21 C ATOM 0 H LEU B 44 0.196 7.856 -17.879 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.410 8.416 -16.779 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.980 8.090 -19.185 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.458 6.444 -18.891 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.652 5.797 -18.077 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.499 7.439 -17.894 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.148 7.871 -16.819 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.382 8.747 -18.351 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.051 6.293 -20.066 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.928 7.594 -20.530 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.381 5.900 -20.540 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.573 6.610 -15.059 1.00 10.81 N ATOM 2082 CA VAL B 45 -2.794 5.492 -14.103 1.00 9.29 C ATOM 2083 C VAL B 45 -4.295 5.318 -13.870 1.00 9.95 C ATOM 2084 O VAL B 45 -5.087 6.186 -14.182 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.086 5.810 -12.782 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -2.822 6.939 -12.058 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -2.066 4.561 -11.897 1.00 10.20 C ATOM 0 H VAL B 45 -2.932 7.515 -14.756 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.388 4.566 -14.510 1.00 9.29 H new ATOM 0 HB VAL B 45 -1.063 6.124 -12.990 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -2.314 7.161 -11.119 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -2.830 7.830 -12.686 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.847 6.632 -11.852 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.562 4.789 -10.958 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.089 4.244 -11.693 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.533 3.760 -12.410 1.00 10.20 H new ATOM 2097 N LYS B 46 -4.692 4.195 -13.341 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.143 3.954 -13.106 1.00 12.81 C ATOM 2099 C LYS B 46 -6.585 4.607 -11.793 1.00 13.35 C ATOM 2100 O LYS B 46 -5.792 4.853 -10.906 1.00 12.90 O ATOM 2101 CB LYS B 46 -6.398 2.446 -13.030 1.00 17.04 C ATOM 2102 CG LYS B 46 -7.503 2.056 -14.015 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.088 0.793 -14.772 1.00 33.77 C ATOM 2104 CE LYS B 46 -6.159 1.170 -15.927 1.00 34.48 C ATOM 2105 NZ LYS B 46 -6.909 1.093 -17.213 1.00 36.74 N ATOM 0 H LYS B 46 -4.074 3.433 -13.061 1.00 10.76 H new ATOM 0 HA LYS B 46 -6.712 4.389 -13.928 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -5.483 1.901 -13.262 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -6.687 2.167 -12.017 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -8.437 1.882 -13.480 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -7.684 2.870 -14.716 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -6.584 0.101 -14.097 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -7.970 0.279 -15.154 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -5.769 2.177 -15.781 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -5.302 0.497 -15.953 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -6.278 1.349 -17.999 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -7.260 0.124 -17.353 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -7.713 1.752 -17.186 1.00 36.74 H new ATOM 2119 N ILE B 47 -7.856 4.876 -11.668 1.00 13.96 N ATOM 2120 CA ILE B 47 -8.384 5.499 -10.425 1.00 16.93 C ATOM 2121 C ILE B 47 -9.707 4.816 -10.072 1.00 16.52 C ATOM 2122 O ILE B 47 -10.192 3.973 -10.801 1.00 17.67 O ATOM 2123 CB ILE B 47 -8.600 7.006 -10.656 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.516 7.756 -9.324 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -9.974 7.255 -11.282 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.347 8.742 -9.366 1.00 18.26 C ATOM 0 H ILE B 47 -8.558 4.688 -12.384 1.00 13.96 H new ATOM 0 HA ILE B 47 -7.678 5.376 -9.604 1.00 16.93 H new ATOM 0 HB ILE B 47 -7.824 7.366 -11.331 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.448 8.289 -9.135 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.381 7.050 -8.505 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.114 8.324 -11.440 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.038 6.736 -12.238 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -10.751 6.882 -10.614 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.287 9.276 -8.418 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.418 8.198 -9.535 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.502 9.456 -10.175 1.00 18.26 H new ATOM 2138 N THR B 48 -10.299 5.169 -8.970 1.00 16.86 N ATOM 2139 CA THR B 48 -11.591 4.533 -8.595 1.00 16.59 C ATOM 2140 C THR B 48 -12.707 5.575 -8.658 1.00 19.04 C ATOM 2141 O THR B 48 -12.508 6.733 -8.348 1.00 22.56 O ATOM 2142 CB THR B 48 -11.491 3.971 -7.176 1.00 16.30 C ATOM 2143 OG1 THR B 48 -10.160 4.121 -6.702 1.00 17.90 O ATOM 2144 CG2 THR B 48 -11.870 2.490 -7.182 1.00 16.02 C ATOM 0 H THR B 48 -9.948 5.867 -8.314 1.00 16.86 H new ATOM 0 HA THR B 48 -11.813 3.722 -9.289 1.00 16.59 H new ATOM 0 HB THR B 48 -12.173 4.514 -6.522 1.00 16.30 H new ATOM 0 HG1 THR B 48 -10.174 4.539 -5.816 1.00 17.90 H new ATOM 0 HG21 THR B 48 -11.798 2.092 -6.170 1.00 16.02 H new ATOM 0 HG22 THR B 48 -12.892 2.377 -7.544 1.00 16.02 H new ATOM 0 HG23 THR B 48 -11.191 1.943 -7.836 1.00 16.02 H new ATOM 2152 N LEU B 49 -13.879 5.174 -9.063 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.008 6.137 -9.154 1.00 18.82 C ATOM 2154 C LEU B 49 -16.217 5.562 -8.411 1.00 20.06 C ATOM 2155 O LEU B 49 -16.682 4.479 -8.705 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.351 6.362 -10.632 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.262 7.581 -10.797 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.704 7.194 -10.463 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -15.809 8.717 -9.872 1.00 14.50 C ATOM 0 H LEU B 49 -14.103 4.217 -9.336 1.00 18.35 H new ATOM 0 HA LEU B 49 -14.732 7.089 -8.701 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -14.435 6.506 -11.205 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -15.843 5.477 -11.035 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.204 7.924 -11.830 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -18.351 8.063 -10.581 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.034 6.402 -11.136 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.757 6.840 -9.433 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -16.467 9.576 -10.002 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -15.851 8.381 -8.836 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -14.787 9.002 -10.120 1.00 14.50 H new ATOM 2171 N ASP B 50 -16.720 6.273 -7.439 1.00 22.62 N ATOM 2172 CA ASP B 50 -17.889 5.763 -6.665 1.00 27.04 C ATOM 2173 C ASP B 50 -19.025 5.385 -7.619 1.00 27.73 C ATOM 2174 O ASP B 50 -19.082 5.837 -8.745 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.373 6.848 -5.701 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.349 6.306 -4.271 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -17.267 6.194 -3.719 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -19.413 6.012 -3.751 1.00 33.99 O ATOM 0 H ASP B 50 -16.372 7.186 -7.147 1.00 22.62 H new ATOM 0 HA ASP B 50 -17.587 4.880 -6.103 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.736 7.729 -5.778 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.383 7.161 -5.966 1.00 29.11 H new ATOM 2183 N GLU B 51 -19.931 4.559 -7.169 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.069 4.145 -8.038 1.00 34.22 C ATOM 2185 C GLU B 51 -22.011 5.333 -8.246 1.00 34.98 C ATOM 2186 O GLU B 51 -22.711 5.748 -7.344 1.00 34.19 O ATOM 2187 CB GLU B 51 -21.832 3.003 -7.362 1.00 38.24 C ATOM 2188 CG GLU B 51 -22.191 1.937 -8.399 1.00 46.84 C ATOM 2189 CD GLU B 51 -22.815 0.731 -7.695 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -23.993 0.794 -7.386 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -22.103 -0.236 -7.477 1.00 54.92 O ATOM 0 H GLU B 51 -19.931 4.152 -6.234 1.00 31.16 H new ATOM 0 HA GLU B 51 -20.688 3.811 -9.003 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.223 2.564 -6.571 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.738 3.386 -6.892 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -22.888 2.346 -9.130 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -21.299 1.631 -8.946 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.036 5.884 -9.429 1.00 34.53 N ATOM 2199 CA GLY B 52 -22.935 7.044 -9.692 1.00 34.93 C ATOM 2200 C GLY B 52 -22.166 8.347 -9.475 1.00 36.10 C ATOM 2201 O GLY B 52 -22.607 9.412 -9.860 1.00 35.97 O ATOM 0 H GLY B 52 -21.473 5.581 -10.224 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.314 6.999 -10.713 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.799 7.005 -9.029 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.017 8.273 -8.861 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.219 9.508 -8.620 1.00 35.40 C ATOM 2207 C GLN B 53 -19.731 10.070 -9.958 1.00 31.02 C ATOM 2208 O GLN B 53 -19.632 9.350 -10.931 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.011 9.169 -7.743 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.174 9.822 -6.369 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.812 10.304 -5.868 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.162 11.103 -6.513 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.349 9.850 -4.735 1.00 54.76 N ATOM 0 H GLN B 53 -20.596 7.410 -8.516 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.840 10.250 -8.118 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.920 8.088 -7.635 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.095 9.520 -8.217 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.867 10.661 -6.433 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.601 9.109 -5.664 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -17.894 9.179 -4.193 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.442 10.166 -4.391 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.436 11.344 -9.963 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.946 12.040 -11.163 1.00 23.44 C ATOM 2224 C PRO B 54 -17.462 11.739 -11.381 1.00 20.14 C ATOM 2225 O PRO B 54 -16.609 12.229 -10.668 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.163 13.516 -10.840 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.228 13.617 -9.301 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.566 12.210 -8.776 1.00 28.37 C ATOM 0 HA PRO B 54 -19.457 11.733 -12.076 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.350 14.124 -11.236 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.084 13.882 -11.293 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.277 13.962 -8.896 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.986 14.337 -8.993 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.883 11.905 -7.983 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.573 12.170 -8.362 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.150 10.933 -12.358 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.725 10.593 -12.624 1.00 15.58 C ATOM 2238 C ALA B 55 -14.857 11.846 -12.500 1.00 16.41 C ATOM 2239 O ALA B 55 -15.339 12.959 -12.577 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.599 10.033 -14.040 1.00 13.98 C ATOM 0 H ALA B 55 -17.824 10.494 -12.986 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.391 9.852 -11.898 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.557 9.782 -14.241 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.212 9.137 -14.133 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.937 10.780 -14.758 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.578 11.672 -12.317 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.676 12.850 -12.198 1.00 14.61 C ATOM 2248 C TYR B 56 -12.788 13.687 -13.472 1.00 15.51 C ATOM 2249 O TYR B 56 -12.278 13.323 -14.510 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.228 12.379 -12.010 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.140 11.515 -10.770 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.467 10.154 -10.847 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.751 12.072 -9.546 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -11.404 9.353 -9.703 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -10.686 11.267 -8.401 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.013 9.909 -8.481 1.00 10.29 C ATOM 2257 OH TYR B 56 -10.951 9.117 -7.352 1.00 12.03 O ATOM 0 H TYR B 56 -13.119 10.764 -12.245 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.964 13.451 -11.335 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.900 11.816 -12.884 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.563 13.238 -11.917 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -11.768 9.724 -11.791 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -10.501 13.121 -9.484 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -11.657 8.305 -9.763 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -10.383 11.695 -7.457 1.00 11.47 H new ATOM 0 HH TYR B 56 -11.441 8.283 -7.510 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.454 14.806 -13.400 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.595 15.665 -14.608 1.00 14.95 C ATOM 2269 C ALA B 57 -12.203 16.039 -15.128 1.00 15.46 C ATOM 2270 O ALA B 57 -11.206 15.700 -14.522 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.363 16.937 -14.243 1.00 14.98 C ATOM 0 H ALA B 57 -13.906 15.162 -12.558 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.140 15.123 -15.381 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.466 17.566 -15.127 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.352 16.671 -13.870 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.819 17.482 -13.472 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.180 16.730 -16.238 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.925 17.170 -16.875 1.00 16.55 C ATOM 2279 C PRO B 58 -10.355 18.392 -16.147 1.00 16.75 C ATOM 2280 O PRO B 58 -10.996 19.419 -16.044 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.356 17.531 -18.299 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.875 17.820 -18.237 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.402 17.135 -16.963 1.00 13.96 C ATOM 0 HA PRO B 58 -10.141 16.413 -16.851 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.810 18.402 -18.661 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -11.144 16.713 -18.988 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -13.064 18.893 -18.206 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.379 17.432 -19.122 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -14.011 17.815 -16.368 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -14.027 16.274 -17.203 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.155 18.289 -15.641 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.547 19.445 -14.921 1.00 15.08 C ATOM 2293 C GLY B 59 -7.320 18.975 -14.136 1.00 14.96 C ATOM 2294 O GLY B 59 -6.997 17.806 -14.120 1.00 13.79 O ATOM 0 H GLY B 59 -8.570 17.455 -15.695 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.261 20.220 -15.633 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.277 19.888 -14.243 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.638 19.875 -13.477 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.441 19.474 -12.683 1.00 14.53 C ATOM 2300 C LEU B 60 -5.911 18.710 -11.448 1.00 14.15 C ATOM 2301 O LEU B 60 -6.991 18.947 -10.948 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.678 20.726 -12.244 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.203 20.585 -12.615 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.544 21.966 -12.626 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.503 19.692 -11.588 1.00 15.01 C ATOM 0 H LEU B 60 -6.859 20.871 -13.455 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.786 18.846 -13.286 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -5.101 21.609 -12.724 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.781 20.868 -11.168 1.00 15.84 H new ATOM 0 HG LEU B 60 -3.118 20.136 -13.605 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.491 21.865 -12.891 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -3.043 22.601 -13.358 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.628 22.417 -11.637 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.450 19.591 -11.852 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.588 20.140 -10.598 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.972 18.708 -11.582 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.130 17.790 -10.947 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.584 17.034 -9.754 1.00 9.57 C ATOM 2319 C TYR B 61 -4.493 16.929 -8.709 1.00 11.76 C ATOM 2320 O TYR B 61 -3.320 17.116 -8.969 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.024 15.634 -10.165 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.461 15.717 -10.590 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.777 16.192 -11.863 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.475 15.355 -9.698 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -9.112 16.304 -12.250 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.810 15.469 -10.083 1.00 13.99 C ATOM 2327 CZ TYR B 61 -10.126 15.944 -11.357 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.444 16.051 -11.741 1.00 14.61 O ATOM 0 H TYR B 61 -4.211 17.535 -11.309 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.422 17.578 -9.318 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.404 15.262 -10.981 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.910 14.937 -9.334 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.990 16.472 -12.547 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.225 14.988 -8.714 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.362 16.667 -13.236 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.597 15.191 -9.398 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.494 16.158 -12.714 1.00 14.61 H new ATOM 2338 N THR B 62 -4.897 16.593 -7.528 1.00 12.22 N ATOM 2339 CA THR B 62 -3.948 16.417 -6.417 1.00 14.26 C ATOM 2340 C THR B 62 -4.525 15.339 -5.528 1.00 15.40 C ATOM 2341 O THR B 62 -5.627 15.455 -5.029 1.00 16.24 O ATOM 2342 CB THR B 62 -3.799 17.712 -5.634 1.00 15.07 C ATOM 2343 OG1 THR B 62 -5.008 17.988 -4.939 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.487 18.851 -6.602 1.00 11.61 C ATOM 0 H THR B 62 -5.873 16.429 -7.282 1.00 12.22 H new ATOM 0 HA THR B 62 -2.960 16.142 -6.787 1.00 14.26 H new ATOM 0 HB THR B 62 -2.987 17.615 -4.914 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.339 17.166 -4.520 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.379 19.782 -6.046 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.559 18.635 -7.131 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.300 18.950 -7.321 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.817 14.279 -5.347 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.370 13.192 -4.512 1.00 15.17 C ATOM 2354 C VAL B 63 -4.823 13.773 -3.180 1.00 14.24 C ATOM 2355 O VAL B 63 -4.559 14.917 -2.865 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.330 12.103 -4.293 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.030 10.865 -3.742 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.660 11.757 -5.629 1.00 18.64 C ATOM 0 H VAL B 63 -2.888 14.114 -5.734 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.222 12.742 -5.021 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.572 12.449 -3.591 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.297 10.075 -3.580 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.514 11.111 -2.797 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.780 10.523 -4.455 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.915 10.977 -5.471 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.413 11.403 -6.333 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.175 12.645 -6.034 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.515 13.001 -2.404 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.003 13.510 -1.097 1.00 10.78 C ATOM 2370 C HIS B 64 -5.732 12.463 -0.016 1.00 14.19 C ATOM 2371 O HIS B 64 -6.131 11.318 -0.139 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.509 13.775 -1.187 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.902 14.813 -0.169 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.251 14.937 1.047 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.885 15.772 -0.167 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.842 15.931 1.727 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.846 16.477 1.034 1.00 20.65 N ATOM 0 H HIS B 64 -5.766 12.035 -2.616 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.486 14.436 -0.846 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.769 14.117 -2.189 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.062 12.852 -1.012 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.581 15.952 -0.973 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.543 16.251 2.714 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.453 17.244 1.322 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.062 12.839 1.044 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.778 11.858 2.124 1.00 14.44 C ATOM 2387 C LEU B 65 -6.065 11.547 2.892 1.00 12.66 C ATOM 2388 O LEU B 65 -6.065 10.758 3.816 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.720 12.419 3.078 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.351 13.435 4.010 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.352 12.880 5.437 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.553 14.738 3.964 1.00 19.03 C ATOM 0 H LEU B 65 -4.702 13.780 1.204 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.397 10.939 1.679 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.274 11.610 3.656 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.916 12.885 2.509 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.376 13.632 3.696 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.805 13.608 6.110 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.925 11.953 5.466 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.327 12.684 5.752 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.008 15.467 4.634 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.527 14.547 4.278 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.555 15.130 2.947 1.00 19.03 H new ATOM 2404 N SER B 66 -7.170 12.135 2.508 1.00 13.51 N ATOM 2405 CA SER B 66 -8.437 11.830 3.216 1.00 10.39 C ATOM 2406 C SER B 66 -8.662 10.324 3.127 1.00 8.56 C ATOM 2407 O SER B 66 -9.412 9.742 3.886 1.00 11.70 O ATOM 2408 CB SER B 66 -9.595 12.566 2.539 1.00 12.88 C ATOM 2409 OG SER B 66 -9.795 12.030 1.238 1.00 14.72 O ATOM 0 H SER B 66 -7.244 12.805 1.743 1.00 13.51 H new ATOM 0 HA SER B 66 -8.384 12.150 4.257 1.00 10.39 H new ATOM 0 HB2 SER B 66 -10.504 12.461 3.132 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.376 13.632 2.476 1.00 12.88 H new ATOM 0 HG SER B 66 -9.676 12.738 0.571 1.00 14.72 H new ATOM 2415 N SER B 67 -8.004 9.694 2.190 1.00 7.98 N ATOM 2416 CA SER B 67 -8.153 8.225 2.019 1.00 8.20 C ATOM 2417 C SER B 67 -7.014 7.492 2.736 1.00 11.02 C ATOM 2418 O SER B 67 -7.100 6.310 3.004 1.00 11.45 O ATOM 2419 CB SER B 67 -8.104 7.887 0.532 1.00 8.01 C ATOM 2420 OG SER B 67 -9.361 8.187 -0.060 1.00 11.22 O ATOM 0 H SER B 67 -7.365 10.141 1.532 1.00 7.98 H new ATOM 0 HA SER B 67 -9.106 7.911 2.445 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.314 8.457 0.044 1.00 8.01 H new ATOM 0 HB3 SER B 67 -7.867 6.832 0.395 1.00 8.01 H new ATOM 0 HG SER B 67 -9.568 7.518 -0.745 1.00 11.22 H new ATOM 2426 N PHE B 68 -5.941 8.176 3.036 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.794 7.509 3.716 1.00 11.79 C ATOM 2428 C PHE B 68 -5.218 7.082 5.123 1.00 12.69 C ATOM 2429 O PHE B 68 -6.155 7.612 5.687 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.614 8.488 3.807 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.293 9.061 2.441 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -3.973 8.618 1.293 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.337 10.078 2.332 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.694 9.196 0.050 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.057 10.649 1.088 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.736 10.210 -0.051 1.00 11.87 C ATOM 0 H PHE B 68 -5.810 9.168 2.839 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.491 6.631 3.146 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.856 9.295 4.499 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.739 7.976 4.208 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.710 7.832 1.371 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.814 10.422 3.212 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.219 8.859 -0.832 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.315 11.430 1.007 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.521 10.654 -1.012 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.538 6.127 5.691 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.902 5.664 7.060 1.00 15.38 C ATOM 2448 C LYS B 69 -3.634 5.395 7.871 1.00 15.02 C ATOM 2449 O LYS B 69 -2.529 5.540 7.387 1.00 15.36 O ATOM 2450 CB LYS B 69 -5.722 4.376 6.962 1.00 16.04 C ATOM 2451 CG LYS B 69 -4.926 3.321 6.191 1.00 20.35 C ATOM 2452 CD LYS B 69 -4.975 1.992 6.947 1.00 21.35 C ATOM 2453 CE LYS B 69 -5.826 0.989 6.165 1.00 30.24 C ATOM 2454 NZ LYS B 69 -4.972 0.285 5.167 1.00 32.70 N ATOM 0 H LYS B 69 -3.745 5.646 5.267 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.490 6.437 7.555 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.962 4.008 7.960 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.669 4.572 6.458 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -5.339 3.198 5.190 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -3.892 3.646 6.071 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -3.966 1.601 7.082 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -5.394 2.143 7.942 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -6.276 0.268 6.847 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -6.643 1.504 5.661 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -5.438 0.303 4.237 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -4.050 0.761 5.102 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -4.832 -0.702 5.465 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.791 5.002 9.104 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.603 4.719 9.959 1.00 13.49 C ATOM 2470 C VAL B 70 -2.717 3.309 10.543 1.00 11.85 C ATOM 2471 O VAL B 70 -3.730 2.940 11.104 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.539 5.733 11.098 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.091 5.890 11.566 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.071 7.085 10.615 1.00 15.63 C ATOM 0 H VAL B 70 -4.694 4.864 9.559 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.699 4.792 9.355 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.151 5.380 11.928 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.048 6.615 12.379 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.716 4.929 11.916 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.476 6.239 10.736 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.024 7.807 11.430 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.463 7.439 9.782 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.105 6.973 10.288 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.686 2.517 10.418 1.00 11.15 N ATOM 2485 CA GLY B 71 -1.740 1.133 10.970 1.00 11.07 C ATOM 2486 C GLY B 71 -0.996 0.176 10.036 1.00 12.15 C ATOM 2487 O GLY B 71 -0.327 0.592 9.110 1.00 12.70 O ATOM 0 H GLY B 71 -0.811 2.768 9.959 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -1.291 1.109 11.963 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.777 0.816 11.081 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.104 -1.104 10.272 1.00 15.78 N ATOM 2492 CA GLN B 72 -0.402 -2.087 9.399 1.00 19.42 C ATOM 2493 C GLN B 72 1.106 -1.984 9.631 1.00 16.97 C ATOM 2494 O GLN B 72 1.820 -1.357 8.874 1.00 20.46 O ATOM 2495 CB GLN B 72 -0.717 -1.789 7.932 1.00 22.64 C ATOM 2496 CG GLN B 72 -0.575 -3.071 7.109 1.00 25.29 C ATOM 2497 CD GLN B 72 -1.655 -4.070 7.529 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -2.810 -3.914 7.186 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -1.326 -5.099 8.262 1.00 25.15 N ATOM 0 H GLN B 72 -1.649 -1.511 11.032 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.740 -3.095 9.641 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -1.729 -1.395 7.839 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -0.041 -1.023 7.552 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -0.667 -2.846 6.047 1.00 25.29 H new ATOM 0 HG3 GLN B 72 0.414 -3.504 7.259 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -0.357 -5.231 8.550 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -2.038 -5.771 8.546 1.00 25.15 H new ATOM 2508 N PHE B 73 1.593 -2.598 10.674 1.00 14.56 N ATOM 2509 CA PHE B 73 3.051 -2.543 10.965 1.00 14.60 C ATOM 2510 C PHE B 73 3.406 -1.169 11.536 1.00 15.63 C ATOM 2511 O PHE B 73 4.562 -0.814 11.650 1.00 17.80 O ATOM 2512 CB PHE B 73 3.835 -2.778 9.677 1.00 12.63 C ATOM 2513 CG PHE B 73 3.192 -3.891 8.885 1.00 14.99 C ATOM 2514 CD1 PHE B 73 2.664 -5.007 9.545 1.00 16.27 C ATOM 2515 CD2 PHE B 73 3.124 -3.807 7.489 1.00 19.79 C ATOM 2516 CE1 PHE B 73 2.070 -6.039 8.810 1.00 20.44 C ATOM 2517 CE2 PHE B 73 2.529 -4.839 6.754 1.00 18.68 C ATOM 2518 CZ PHE B 73 2.002 -5.955 7.414 1.00 17.88 C ATOM 0 H PHE B 73 1.040 -3.138 11.340 1.00 14.56 H new ATOM 0 HA PHE B 73 3.306 -3.314 11.692 1.00 14.60 H new ATOM 0 HB2 PHE B 73 3.860 -1.864 9.084 1.00 12.63 H new ATOM 0 HB3 PHE B 73 4.868 -3.035 9.911 1.00 12.63 H new ATOM 0 HD1 PHE B 73 2.715 -5.071 10.622 1.00 16.27 H new ATOM 0 HD2 PHE B 73 3.531 -2.946 6.979 1.00 19.79 H new ATOM 0 HE1 PHE B 73 1.664 -6.900 9.320 1.00 20.44 H new ATOM 0 HE2 PHE B 73 2.477 -4.774 5.677 1.00 18.68 H new ATOM 0 HZ PHE B 73 1.543 -6.751 6.847 1.00 17.88 H new ATOM 2528 N GLY B 74 2.421 -0.394 11.896 1.00 13.82 N ATOM 2529 CA GLY B 74 2.703 0.956 12.460 1.00 13.44 C ATOM 2530 C GLY B 74 3.223 1.874 11.352 1.00 10.42 C ATOM 2531 O GLY B 74 4.214 2.558 11.514 1.00 13.62 O ATOM 0 H GLY B 74 1.433 -0.637 11.824 1.00 13.82 H new ATOM 0 HA2 GLY B 74 1.797 1.375 12.899 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.439 0.881 13.260 1.00 13.44 H new ATOM 2535 N SER B 75 2.563 1.894 10.226 1.00 12.64 N ATOM 2536 CA SER B 75 3.022 2.768 9.109 1.00 12.47 C ATOM 2537 C SER B 75 1.809 3.325 8.360 1.00 12.47 C ATOM 2538 O SER B 75 0.806 2.658 8.202 1.00 11.32 O ATOM 2539 CB SER B 75 3.882 1.950 8.146 1.00 11.21 C ATOM 2540 OG SER B 75 4.832 2.804 7.523 1.00 18.27 O ATOM 0 H SER B 75 1.727 1.344 10.031 1.00 12.64 H new ATOM 0 HA SER B 75 3.608 3.594 9.512 1.00 12.47 H new ATOM 0 HB2 SER B 75 4.392 1.151 8.685 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.253 1.475 7.393 1.00 11.21 H new ATOM 0 HG SER B 75 5.386 2.282 6.906 1.00 18.27 H new ATOM 2546 N LEU B 76 1.894 4.542 7.892 1.00 12.43 N ATOM 2547 CA LEU B 76 0.746 5.136 7.150 1.00 12.18 C ATOM 2548 C LEU B 76 0.298 4.164 6.057 1.00 12.07 C ATOM 2549 O LEU B 76 0.964 3.188 5.776 1.00 9.82 O ATOM 2550 CB LEU B 76 1.177 6.458 6.512 1.00 11.99 C ATOM 2551 CG LEU B 76 0.162 7.547 6.862 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.340 7.961 8.324 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.386 8.761 5.956 1.00 7.80 C ATOM 0 H LEU B 76 2.708 5.149 7.992 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.079 5.320 7.838 1.00 12.18 H new ATOM 0 HB2 LEU B 76 2.167 6.741 6.869 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.248 6.346 5.430 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.848 7.164 6.715 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -0.384 8.737 8.573 1.00 9.28 H new ATOM 0 HD12 LEU B 76 0.181 7.097 8.969 1.00 9.28 H new ATOM 0 HD13 LEU B 76 1.349 8.345 8.473 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.337 9.538 6.204 1.00 7.80 H new ATOM 0 HD22 LEU B 76 1.396 9.144 6.104 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.259 8.466 4.914 1.00 7.80 H new ATOM 2565 N MET B 77 -0.823 4.418 5.437 1.00 14.08 N ATOM 2566 CA MET B 77 -1.301 3.498 4.366 1.00 14.12 C ATOM 2567 C MET B 77 -2.412 4.163 3.552 1.00 11.37 C ATOM 2568 O MET B 77 -3.536 4.289 3.997 1.00 11.44 O ATOM 2569 CB MET B 77 -1.842 2.215 4.999 1.00 16.48 C ATOM 2570 CG MET B 77 -0.682 1.275 5.326 1.00 24.75 C ATOM 2571 SD MET B 77 -1.164 -0.430 4.958 1.00 35.11 S ATOM 2572 CE MET B 77 -0.361 -0.547 3.341 1.00 33.86 C ATOM 0 H MET B 77 -1.426 5.219 5.625 1.00 14.08 H new ATOM 0 HA MET B 77 -0.466 3.264 3.706 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.398 2.452 5.906 1.00 16.48 H new ATOM 0 HB3 MET B 77 -2.538 1.726 4.317 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.197 1.549 4.743 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.410 1.368 6.377 1.00 24.75 H new ATOM 0 HE1 MET B 77 -0.533 -1.538 2.920 1.00 33.86 H new ATOM 0 HE2 MET B 77 -0.776 0.208 2.673 1.00 33.86 H new ATOM 0 HE3 MET B 77 0.710 -0.381 3.454 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.102 4.576 2.358 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.130 5.224 1.489 1.00 11.62 C ATOM 2584 C ILE B 78 -4.452 4.453 1.601 1.00 11.45 C ATOM 2585 O ILE B 78 -5.451 4.967 2.063 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.627 5.225 0.032 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -1.865 6.524 -0.235 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -3.796 5.121 -0.949 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.790 6.277 -1.296 1.00 13.67 C ATOM 0 H ILE B 78 -1.175 4.494 1.940 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.298 6.252 1.808 1.00 11.62 H new ATOM 0 HB ILE B 78 -1.974 4.364 -0.111 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.553 7.299 -0.573 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.406 6.885 0.686 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.415 5.124 -1.970 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.342 4.195 -0.768 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.465 5.970 -0.809 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.247 7.203 -1.486 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.096 5.516 -0.940 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.261 5.936 -2.218 1.00 13.67 H new ATOM 2601 N ASP B 79 -4.443 3.228 1.172 1.00 10.05 N ATOM 2602 CA ASP B 79 -5.668 2.370 1.223 1.00 14.79 C ATOM 2603 C ASP B 79 -6.553 2.645 0.005 1.00 15.20 C ATOM 2604 O ASP B 79 -7.044 1.739 -0.638 1.00 18.10 O ATOM 2605 CB ASP B 79 -6.444 2.662 2.504 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.423 1.520 2.784 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.030 0.581 3.457 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -8.548 1.603 2.320 1.00 21.87 O ATOM 0 H ASP B 79 -3.622 2.768 0.778 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.370 1.322 1.212 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -5.755 2.776 3.340 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -6.986 3.603 2.406 1.00 12.21 H new ATOM 2613 N ARG B 80 -6.750 3.887 -0.315 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.595 4.243 -1.495 1.00 17.14 C ATOM 2615 C ARG B 80 -7.526 5.752 -1.702 1.00 14.98 C ATOM 2616 O ARG B 80 -8.491 6.469 -1.538 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.043 3.812 -1.251 1.00 17.78 C ATOM 2618 CG ARG B 80 -9.868 4.059 -2.515 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.061 2.741 -3.267 1.00 28.43 C ATOM 2620 NE ARG B 80 -9.037 2.628 -4.344 1.00 33.10 N ATOM 2621 CZ ARG B 80 -8.818 1.479 -4.925 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -9.495 0.421 -4.565 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -7.920 1.386 -5.867 1.00 35.04 N ATOM 0 H ARG B 80 -6.361 4.683 0.191 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.228 3.730 -2.384 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.079 2.757 -0.981 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.464 4.370 -0.414 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -10.836 4.485 -2.252 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.364 4.784 -3.154 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -9.974 1.901 -2.578 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.062 2.698 -3.696 1.00 28.43 H new ATOM 0 HE ARG B 80 -8.505 3.451 -4.628 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -10.197 0.491 -3.828 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -9.322 -0.475 -5.021 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -7.390 2.210 -6.149 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -7.748 0.489 -6.321 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.369 6.218 -2.055 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.142 7.669 -2.270 1.00 11.27 C ATOM 2639 C LEU B 81 -7.368 8.344 -2.896 1.00 15.61 C ATOM 2640 O LEU B 81 -7.887 7.914 -3.906 1.00 18.56 O ATOM 2641 CB LEU B 81 -4.916 7.840 -3.166 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.318 7.754 -4.634 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.095 8.052 -5.506 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -5.825 6.337 -4.932 1.00 18.72 C ATOM 0 H LEU B 81 -5.545 5.637 -2.208 1.00 11.03 H new ATOM 0 HA LEU B 81 -5.972 8.151 -1.307 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.443 8.802 -2.967 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.180 7.069 -2.938 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.105 8.477 -4.848 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.375 7.992 -6.558 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.726 9.053 -5.285 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.313 7.323 -5.297 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.115 6.267 -5.980 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.034 5.616 -4.725 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -6.687 6.119 -4.302 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.816 9.418 -2.304 1.00 13.37 N ATOM 2657 CA ARG B 82 -8.986 10.152 -2.860 1.00 12.72 C ATOM 2658 C ARG B 82 -8.465 11.278 -3.756 1.00 13.33 C ATOM 2659 O ARG B 82 -7.969 12.281 -3.281 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.809 10.749 -1.716 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.265 10.298 -1.841 1.00 16.22 C ATOM 2662 CD ARG B 82 -11.761 9.799 -0.484 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.064 10.456 -0.152 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.217 11.752 -0.254 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -12.189 12.533 -0.462 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.401 12.277 -0.089 1.00 16.89 N ATOM 0 H ARG B 82 -7.419 9.820 -1.455 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.617 9.473 -3.434 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.401 10.431 -0.757 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.751 11.837 -1.743 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.885 11.126 -2.185 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.349 9.506 -2.585 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.884 8.716 -0.506 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.024 10.020 0.288 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.848 9.883 0.160 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -11.254 12.134 -0.547 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -12.322 13.541 -0.540 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.200 11.678 0.118 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.527 13.286 -0.167 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.546 11.111 -5.046 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.027 12.166 -5.964 1.00 13.86 C ATOM 2682 C LEU B 83 -8.962 13.372 -5.989 1.00 13.02 C ATOM 2683 O LEU B 83 -10.165 13.254 -5.862 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.899 11.616 -7.382 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.479 11.841 -7.896 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.432 11.527 -9.393 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.085 13.304 -7.669 1.00 10.58 C ATOM 0 H LEU B 83 -8.947 10.293 -5.505 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.049 12.476 -5.596 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.135 10.552 -7.392 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.616 12.108 -8.039 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.786 11.190 -7.363 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.420 11.686 -9.766 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.720 10.489 -9.556 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.122 12.183 -9.924 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.071 13.469 -8.035 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.775 13.954 -8.207 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.128 13.531 -6.604 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.401 14.534 -6.163 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.208 15.772 -6.215 1.00 12.86 C ATOM 2701 C VAL B 84 -8.502 16.760 -7.150 1.00 14.98 C ATOM 2702 O VAL B 84 -7.304 16.680 -7.326 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.285 16.359 -4.807 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.932 15.345 -3.862 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.873 16.689 -4.315 1.00 17.34 C ATOM 0 H VAL B 84 -7.397 14.676 -6.273 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.215 15.570 -6.580 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.886 17.268 -4.826 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.986 15.766 -2.858 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.938 15.112 -4.212 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.334 14.434 -3.842 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.926 17.108 -3.310 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.272 15.780 -4.297 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.414 17.414 -4.987 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.250 17.673 -7.708 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.694 18.695 -8.611 1.00 22.41 C ATOM 2717 C PRO B 85 -7.693 19.585 -7.858 1.00 25.70 C ATOM 2718 O PRO B 85 -7.862 19.872 -6.689 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.924 19.459 -9.104 1.00 21.19 C ATOM 2720 CG PRO B 85 -11.035 19.165 -8.083 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.697 17.789 -7.485 1.00 20.63 C ATOM 0 HA PRO B 85 -8.127 18.284 -9.446 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.722 20.528 -9.165 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.214 19.132 -10.103 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -11.068 19.931 -7.308 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -12.014 19.154 -8.562 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.947 17.738 -6.425 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.246 16.989 -7.981 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.639 20.001 -8.514 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.611 20.845 -7.834 1.00 39.94 C ATOM 2731 C ALA B 86 -6.188 22.234 -7.551 1.00 46.96 C ATOM 2732 O ALA B 86 -6.674 22.908 -8.437 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.381 20.973 -8.740 1.00 39.70 C ATOM 0 H ALA B 86 -6.446 19.792 -9.493 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.323 20.379 -6.892 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.628 21.588 -8.247 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.969 19.983 -8.936 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.670 21.439 -9.682 1.00 39.70 H new ATOM 2739 N LYS B 87 -6.138 22.664 -6.321 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.682 24.009 -5.976 1.00 55.12 C ATOM 2741 C LYS B 87 -5.951 25.081 -6.787 1.00 55.82 C ATOM 2742 O LYS B 87 -6.523 26.140 -6.982 1.00 58.05 O ATOM 2743 CB LYS B 87 -6.478 24.272 -4.482 1.00 52.96 C ATOM 2744 CG LYS B 87 -7.289 25.501 -4.062 1.00 55.49 C ATOM 2745 CD LYS B 87 -8.755 25.107 -3.877 1.00 56.64 C ATOM 2746 CE LYS B 87 -9.650 26.310 -4.181 1.00 58.91 C ATOM 2747 NZ LYS B 87 -10.127 26.230 -5.591 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.832 24.824 -7.199 1.00 57.66 O ATOM 0 H LYS B 87 -5.744 22.142 -5.538 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.746 24.041 -6.210 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -6.790 23.403 -3.903 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -5.421 24.432 -4.272 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -6.892 25.912 -3.134 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -7.204 26.282 -4.818 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -9.006 24.278 -4.538 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -8.924 24.763 -2.857 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -10.500 26.326 -3.499 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -9.098 27.237 -4.025 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -10.736 27.047 -5.799 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -9.310 26.234 -6.235 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -10.669 25.352 -5.725 1.00 58.16 H new TER 2762 LYS B 87