USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=38 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 Set 1.1: B 53 GLN : amide:sc= 0 X(o=-0.011,f=-0.011) USER MOD Set 1.2: B 56 TYR OH : rot 180:sc= -0.0107 USER MOD Set 2.1: B 31 GLN : amide:sc= -6.36! C(o=-9.3!,f=-17!) USER MOD Set 2.2: B 33 CYS SG : rot -41:sc= -2.93! USER MOD Set 3.1: A 53 GLN : amide:sc= 0 X(o=-0.022,f=-0.022) USER MOD Set 3.2: A 56 TYR OH : rot 180:sc= -0.0218 USER MOD Set 4.1: A 31 GLN : amide:sc= -6.02! C(o=-8.6!,f=-16!) USER MOD Set 4.2: A 33 CYS SG : rot -41:sc= -2.56! USER MOD Single : A 1 MET CE :methyl -119:sc= -0.11 (180deg=-0.667) USER MOD Single : A 1 MET N :NH3+ -165:sc= 1.29 (180deg=0.748) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.78! C(o=-3.8!,f=-12!) USER MOD Single : A 12 GLN : amide:sc= -0.581 K(o=-0.58,f=-0.0075) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0581 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 135:sc= -1.19! USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.0075) 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 USER MOD Single : A 29 ASN : amide:sc= -6.82! C(o=-6.8!,f=-6.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0908 K(o=-0.091,f=-0.64) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -160:sc= -2.67! USER MOD Single : A 61 TYR OH : rot 27:sc= 0.883 USER MOD Single : A 62 THR OG1 : rot 37:sc= 0.19! USER MOD Single : A 64 HIS : no HD1:sc= -0.695 K(o=-0.7,f=-4.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -106:sc= 0.836 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -5.31! C(o=-5.3!,f=-2.6!) USER MOD Single : A 75 SER OG : rot -6:sc= 1.02 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc=-0.00592 (180deg=-0.252) USER MOD Single : B 1 MET CE :methyl -120:sc= -0.112 (180deg=-0.697) USER MOD Single : B 1 MET N :NH3+ -162:sc= 1.19 (180deg=0.671) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -3.76! C(o=-3.8!,f=-12!) USER MOD Single : B 12 GLN : amide:sc= -0.625 K(o=-0.62,f=-0.0038) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0479 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 131:sc= -1.18! USER MOD Single : B 22 GLN : amide:sc= 0 X(o=0,f=-0.0039) 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 USER MOD Single : B 29 ASN : amide:sc= -6.93! C(o=-6.9!,f=-6.2!) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -10.5! C(o=-10!,f=-12!) USER MOD Single : B 41 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-0.73) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot -160:sc= -2.67! USER MOD Single : B 61 TYR OH : rot 28:sc= 0.745 USER MOD Single : B 62 THR OG1 : rot 38:sc= 0.364! USER MOD Single : B 64 HIS : no HD1:sc= -0.621 K(o=-0.62,f=-4.4!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -138:sc= 0.843 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -5.14! C(o=-5.1!,f=-2.5!) USER MOD Single : B 75 SER OG : rot -3:sc= 0.918 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ -165:sc=-0.00127 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.703 18.617 4.064 1.00 42.32 N ATOM 2 CA MET A 1 -1.708 17.561 3.725 1.00 40.89 C ATOM 3 C MET A 1 -1.695 16.500 4.823 1.00 34.75 C ATOM 4 O MET A 1 -2.185 16.716 5.913 1.00 33.97 O ATOM 5 CB MET A 1 -0.311 18.185 3.616 1.00 48.45 C ATOM 6 CG MET A 1 0.198 18.570 5.011 1.00 56.13 C ATOM 7 SD MET A 1 -0.617 20.094 5.549 1.00 64.91 S ATOM 8 CE MET A 1 0.334 21.235 4.516 1.00 63.43 C ATOM 0 H1 MET A 1 -2.899 19.193 3.221 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.584 18.172 4.391 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.322 19.224 4.817 1.00 42.32 H new ATOM 0 HA MET A 1 -1.981 17.104 2.774 1.00 40.89 H new ATOM 0 HB2 MET A 1 0.377 17.479 3.150 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.346 19.066 2.976 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.005 17.766 5.719 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.279 18.710 4.990 1.00 56.13 H new ATOM 0 HE1 MET A 1 0.872 21.939 5.151 1.00 63.43 H new ATOM 0 HE2 MET A 1 1.047 20.672 3.914 1.00 63.43 H new ATOM 0 HE3 MET A 1 -0.343 21.782 3.860 1.00 63.43 H new ATOM 20 N ILE A 2 -1.122 15.361 4.550 1.00 28.59 N ATOM 21 CA ILE A 2 -1.058 14.294 5.586 1.00 24.58 C ATOM 22 C ILE A 2 -0.320 14.862 6.801 1.00 19.29 C ATOM 23 O ILE A 2 0.881 14.738 6.928 1.00 19.53 O ATOM 24 CB ILE A 2 -0.299 13.095 5.018 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.794 12.800 3.606 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.538 11.867 5.888 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.397 12.763 2.658 1.00 33.80 C ATOM 0 H ILE A 2 -0.696 15.123 3.654 1.00 28.59 H new ATOM 0 HA ILE A 2 -2.057 13.970 5.878 1.00 24.58 H new ATOM 0 HB ILE A 2 0.765 13.329 5.000 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.322 11.847 3.584 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.503 13.564 3.289 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.007 11.017 5.476 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.188 12.065 6.901 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.604 11.639 5.910 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.050 12.552 1.646 1.00 33.80 H new ATOM 0 HD12 ILE A 2 0.905 13.727 2.674 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.089 11.983 2.974 1.00 33.80 H new ATOM 39 N LYS A 3 -1.033 15.522 7.673 1.00 18.14 N ATOM 40 CA LYS A 3 -0.386 16.150 8.862 1.00 16.66 C ATOM 41 C LYS A 3 0.238 15.105 9.778 1.00 14.94 C ATOM 42 O LYS A 3 -0.123 13.946 9.766 1.00 13.94 O ATOM 43 CB LYS A 3 -1.428 16.953 9.643 1.00 16.94 C ATOM 44 CG LYS A 3 -1.421 18.405 9.162 1.00 17.85 C ATOM 45 CD LYS A 3 -1.911 19.319 10.287 1.00 19.63 C ATOM 46 CE LYS A 3 -1.371 20.734 10.068 1.00 26.28 C ATOM 47 NZ LYS A 3 -1.442 21.497 11.345 1.00 32.72 N ATOM 0 H LYS A 3 -2.043 15.654 7.613 1.00 18.14 H new ATOM 0 HA LYS A 3 0.409 16.806 8.507 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.417 16.518 9.503 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.209 16.911 10.710 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.415 18.693 8.857 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -2.062 18.512 8.287 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -3.001 19.334 10.309 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -1.578 18.937 11.252 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.341 20.691 9.715 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.951 21.241 9.297 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -1.075 22.459 11.196 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -2.431 21.549 11.664 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -0.870 21.017 12.069 1.00 32.72 H new ATOM 61 N VAL A 4 1.184 15.528 10.576 1.00 12.42 N ATOM 62 CA VAL A 4 1.864 14.594 11.508 1.00 12.99 C ATOM 63 C VAL A 4 2.535 15.386 12.634 1.00 14.26 C ATOM 64 O VAL A 4 2.667 16.592 12.573 1.00 13.80 O ATOM 65 CB VAL A 4 2.926 13.800 10.743 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.607 12.801 11.680 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.275 13.049 9.579 1.00 10.41 C ATOM 0 H VAL A 4 1.514 16.492 10.618 1.00 12.42 H new ATOM 0 HA VAL A 4 1.130 13.910 11.935 1.00 12.99 H new ATOM 0 HB VAL A 4 3.672 14.492 10.353 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.361 12.240 11.128 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.083 13.338 12.501 1.00 14.46 H new ATOM 0 HG13 VAL A 4 2.863 12.112 12.080 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.036 12.486 9.038 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.521 12.363 9.965 1.00 10.41 H new ATOM 0 HG23 VAL A 4 1.804 13.763 8.904 1.00 10.41 H new ATOM 77 N GLU A 5 2.955 14.704 13.661 1.00 9.27 N ATOM 78 CA GLU A 5 3.619 15.378 14.811 1.00 10.51 C ATOM 79 C GLU A 5 4.518 14.374 15.511 1.00 10.00 C ATOM 80 O GLU A 5 4.064 13.476 16.187 1.00 10.96 O ATOM 81 CB GLU A 5 2.560 15.886 15.785 1.00 10.42 C ATOM 82 CG GLU A 5 2.022 17.217 15.273 1.00 18.68 C ATOM 83 CD GLU A 5 1.005 17.779 16.267 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.655 17.067 17.193 1.00 22.12 O ATOM 85 OE2 GLU A 5 0.593 18.913 16.085 1.00 19.38 O ATOM 0 H GLU A 5 2.865 13.692 13.754 1.00 9.27 H new ATOM 0 HA GLU A 5 4.211 16.222 14.457 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.751 15.161 15.875 1.00 10.42 H new ATOM 0 HB3 GLU A 5 2.989 16.010 16.779 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.841 17.923 15.138 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.555 17.080 14.298 1.00 18.68 H new ATOM 92 N ILE A 6 5.795 14.513 15.354 1.00 9.86 N ATOM 93 CA ILE A 6 6.713 13.552 16.024 1.00 10.60 C ATOM 94 C ILE A 6 6.753 13.888 17.523 1.00 10.16 C ATOM 95 O ILE A 6 7.307 14.888 17.934 1.00 11.64 O ATOM 96 CB ILE A 6 8.113 13.617 15.373 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.197 12.550 14.278 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.204 13.341 16.404 1.00 12.29 C ATOM 99 CD1 ILE A 6 7.899 13.177 12.915 1.00 13.81 C ATOM 0 H ILE A 6 6.245 15.240 14.798 1.00 9.86 H new ATOM 0 HA ILE A 6 6.357 12.528 15.907 1.00 10.60 H new ATOM 0 HB ILE A 6 8.261 14.614 14.959 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.190 12.100 14.272 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.486 11.750 14.483 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.181 13.392 15.923 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.151 14.086 17.198 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.060 12.347 16.829 1.00 12.29 H new ATOM 0 HD11 ILE A 6 7.961 12.412 12.141 1.00 13.81 H new ATOM 0 HD12 ILE A 6 6.897 13.605 12.923 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.627 13.961 12.708 1.00 13.81 H new ATOM 111 N LYS A 7 6.147 13.057 18.338 1.00 11.63 N ATOM 112 CA LYS A 7 6.118 13.314 19.805 1.00 11.59 C ATOM 113 C LYS A 7 7.511 13.724 20.293 1.00 12.98 C ATOM 114 O LYS A 7 8.472 13.653 19.552 1.00 9.79 O ATOM 115 CB LYS A 7 5.676 12.033 20.521 1.00 12.52 C ATOM 116 CG LYS A 7 4.225 12.168 21.001 1.00 14.26 C ATOM 117 CD LYS A 7 3.371 12.838 19.925 1.00 15.70 C ATOM 118 CE LYS A 7 3.013 14.254 20.365 1.00 19.19 C ATOM 119 NZ LYS A 7 1.822 14.213 21.260 1.00 25.43 N ATOM 0 H LYS A 7 5.669 12.206 18.043 1.00 11.63 H new ATOM 0 HA LYS A 7 5.419 14.122 20.022 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.766 11.181 19.847 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.331 11.838 21.370 1.00 12.52 H new ATOM 0 HG2 LYS A 7 3.820 11.184 21.236 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.191 12.755 21.919 1.00 14.26 H new ATOM 0 HD2 LYS A 7 3.914 12.866 18.980 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.463 12.259 19.754 1.00 15.70 H new ATOM 0 HE2 LYS A 7 3.856 14.708 20.885 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.805 14.875 19.494 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 1.579 15.179 21.559 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 1.018 13.796 20.749 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 2.037 13.635 22.097 1.00 25.43 H new ATOM 133 N PRO A 8 7.576 14.137 21.535 1.00 13.56 N ATOM 134 CA PRO A 8 8.837 14.563 22.164 1.00 11.93 C ATOM 135 C PRO A 8 9.672 13.338 22.527 1.00 10.20 C ATOM 136 O PRO A 8 10.883 13.394 22.606 1.00 12.05 O ATOM 137 CB PRO A 8 8.380 15.317 23.417 1.00 12.78 C ATOM 138 CG PRO A 8 6.953 14.809 23.734 1.00 12.51 C ATOM 139 CD PRO A 8 6.399 14.212 22.426 1.00 13.61 C ATOM 0 HA PRO A 8 9.462 15.180 21.518 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.054 15.128 24.252 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.380 16.393 23.245 1.00 12.78 H new ATOM 0 HG2 PRO A 8 6.975 14.058 24.524 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.321 15.624 24.087 1.00 12.51 H new ATOM 0 HD2 PRO A 8 5.961 13.228 22.591 1.00 13.61 H new ATOM 0 HD3 PRO A 8 5.617 14.841 22.001 1.00 13.61 H new ATOM 147 N SER A 9 9.025 12.230 22.731 1.00 10.65 N ATOM 148 CA SER A 9 9.761 10.983 23.072 1.00 10.83 C ATOM 149 C SER A 9 9.966 10.163 21.796 1.00 10.94 C ATOM 150 O SER A 9 10.409 9.032 21.837 1.00 13.16 O ATOM 151 CB SER A 9 8.949 10.169 24.081 1.00 13.01 C ATOM 152 OG SER A 9 9.593 10.215 25.348 1.00 15.52 O ATOM 0 H SER A 9 8.011 12.132 22.676 1.00 10.65 H new ATOM 0 HA SER A 9 10.728 11.232 23.509 1.00 10.83 H new ATOM 0 HB2 SER A 9 7.938 10.569 24.159 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.858 9.137 23.744 1.00 13.01 H new ATOM 0 HG SER A 9 9.074 9.696 25.998 1.00 15.52 H new ATOM 158 N GLN A 10 9.646 10.726 20.660 1.00 10.02 N ATOM 159 CA GLN A 10 9.820 9.984 19.382 1.00 11.55 C ATOM 160 C GLN A 10 10.760 10.766 18.462 1.00 13.72 C ATOM 161 O GLN A 10 10.614 10.751 17.257 1.00 17.31 O ATOM 162 CB GLN A 10 8.466 9.830 18.696 1.00 6.60 C ATOM 163 CG GLN A 10 7.432 9.383 19.723 1.00 7.20 C ATOM 164 CD GLN A 10 7.712 7.936 20.136 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.842 7.490 20.096 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.726 7.180 20.534 1.00 4.80 N ATOM 0 H GLN A 10 9.271 11.670 20.565 1.00 10.02 H new ATOM 0 HA GLN A 10 10.242 9.001 19.590 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.164 10.775 18.245 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.534 9.100 17.890 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.467 10.034 20.596 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.429 9.465 19.304 1.00 7.20 H new ATOM 0 HE21 GLN A 10 5.778 7.554 20.568 1.00 4.80 H new ATOM 0 HE22 GLN A 10 6.903 6.215 20.812 1.00 4.80 H new ATOM 175 N ALA A 11 11.715 11.462 19.018 1.00 15.28 N ATOM 176 CA ALA A 11 12.647 12.255 18.164 1.00 18.95 C ATOM 177 C ALA A 11 13.945 11.478 17.930 1.00 20.75 C ATOM 178 O ALA A 11 14.917 12.015 17.437 1.00 24.78 O ATOM 179 CB ALA A 11 12.967 13.581 18.856 1.00 17.72 C ATOM 0 H ALA A 11 11.890 11.516 20.021 1.00 15.28 H new ATOM 0 HA ALA A 11 12.170 12.445 17.202 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.648 14.161 18.233 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.046 14.143 19.008 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.436 13.384 19.820 1.00 17.72 H new ATOM 185 N GLN A 12 13.974 10.222 18.274 1.00 22.50 N ATOM 186 CA GLN A 12 15.214 9.426 18.066 1.00 25.43 C ATOM 187 C GLN A 12 14.863 8.034 17.545 1.00 22.80 C ATOM 188 O GLN A 12 13.930 7.404 18.001 1.00 20.93 O ATOM 189 CB GLN A 12 15.960 9.294 19.389 1.00 30.18 C ATOM 190 CG GLN A 12 16.898 10.485 19.550 1.00 42.11 C ATOM 191 CD GLN A 12 17.591 10.414 20.912 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.770 10.686 21.022 1.00 46.27 O ATOM 193 NE2 GLN A 12 16.903 10.058 21.963 1.00 47.90 N ATOM 0 H GLN A 12 13.194 9.713 18.690 1.00 22.50 H new ATOM 0 HA GLN A 12 15.843 9.934 17.335 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.253 9.257 20.218 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.526 8.363 19.411 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.641 10.486 18.753 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.338 11.416 19.464 1.00 42.11 H new ATOM 0 HE21 GLN A 12 15.913 9.830 21.871 1.00 47.90 H new ATOM 0 HE22 GLN A 12 17.355 10.008 22.876 1.00 47.90 H new ATOM 202 N PHE A 13 15.609 7.549 16.592 1.00 21.61 N ATOM 203 CA PHE A 13 15.327 6.201 16.040 1.00 20.51 C ATOM 204 C PHE A 13 16.069 5.145 16.853 1.00 18.83 C ATOM 205 O PHE A 13 16.878 5.453 17.705 1.00 18.83 O ATOM 206 CB PHE A 13 15.821 6.142 14.602 1.00 19.56 C ATOM 207 CG PHE A 13 17.268 6.574 14.580 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.257 5.728 15.094 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.620 7.824 14.055 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.597 6.131 15.081 1.00 20.75 C ATOM 211 CE2 PHE A 13 18.959 8.226 14.043 1.00 14.07 C ATOM 212 CZ PHE A 13 19.947 7.380 14.555 1.00 18.48 C ATOM 0 H PHE A 13 16.403 8.032 16.172 1.00 21.61 H new ATOM 0 HA PHE A 13 14.255 6.011 16.083 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.720 5.131 14.207 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.220 6.793 13.967 1.00 19.56 H new ATOM 0 HD1 PHE A 13 17.986 4.765 15.500 1.00 20.50 H new ATOM 0 HD2 PHE A 13 16.857 8.478 13.659 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.361 5.478 15.477 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.230 9.190 13.638 1.00 14.07 H new ATOM 0 HZ PHE A 13 20.981 7.690 14.545 1.00 18.48 H new ATOM 222 N THR A 14 15.817 3.898 16.576 1.00 14.89 N ATOM 223 CA THR A 14 16.523 2.815 17.308 1.00 13.37 C ATOM 224 C THR A 14 17.073 1.820 16.290 1.00 11.97 C ATOM 225 O THR A 14 16.677 1.814 15.141 1.00 10.76 O ATOM 226 CB THR A 14 15.554 2.102 18.253 1.00 13.68 C ATOM 227 OG1 THR A 14 16.255 1.096 18.973 1.00 13.48 O ATOM 228 CG2 THR A 14 14.426 1.460 17.445 1.00 9.24 C ATOM 0 H THR A 14 15.150 3.582 15.872 1.00 14.89 H new ATOM 0 HA THR A 14 17.336 3.238 17.897 1.00 13.37 H new ATOM 0 HB THR A 14 15.130 2.824 18.951 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.637 0.638 19.581 1.00 13.48 H new ATOM 0 HG21 THR A 14 13.737 0.953 18.121 1.00 9.24 H new ATOM 0 HG22 THR A 14 13.890 2.231 16.892 1.00 9.24 H new ATOM 0 HG23 THR A 14 14.846 0.737 16.745 1.00 9.24 H new ATOM 236 N THR A 15 17.982 0.983 16.692 1.00 13.20 N ATOM 237 CA THR A 15 18.551 0.000 15.731 1.00 12.54 C ATOM 238 C THR A 15 17.718 -1.282 15.756 1.00 14.34 C ATOM 239 O THR A 15 17.697 -2.004 16.734 1.00 17.35 O ATOM 240 CB THR A 15 19.995 -0.320 16.121 1.00 11.88 C ATOM 241 OG1 THR A 15 20.507 0.725 16.936 1.00 17.15 O ATOM 242 CG2 THR A 15 20.845 -0.450 14.859 1.00 8.30 C ATOM 0 H THR A 15 18.356 0.935 17.640 1.00 13.20 H new ATOM 0 HA THR A 15 18.533 0.424 14.727 1.00 12.54 H new ATOM 0 HB THR A 15 20.025 -1.258 16.675 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.432 0.520 17.188 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.874 -0.678 15.136 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.450 -1.252 14.236 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.818 0.488 14.304 1.00 8.30 H new ATOM 250 N ARG A 16 17.033 -1.573 14.685 1.00 15.28 N ATOM 251 CA ARG A 16 16.203 -2.809 14.642 1.00 15.21 C ATOM 252 C ARG A 16 16.772 -3.760 13.588 1.00 16.91 C ATOM 253 O ARG A 16 17.152 -3.350 12.509 1.00 17.29 O ATOM 254 CB ARG A 16 14.762 -2.446 14.276 1.00 15.77 C ATOM 255 CG ARG A 16 13.875 -2.558 15.518 1.00 21.61 C ATOM 256 CD ARG A 16 13.967 -3.974 16.089 1.00 24.15 C ATOM 257 NE ARG A 16 12.692 -4.699 15.827 1.00 30.82 N ATOM 258 CZ ARG A 16 12.636 -5.998 15.963 1.00 29.13 C ATOM 259 NH1 ARG A 16 13.694 -6.666 16.335 1.00 34.38 N ATOM 260 NH2 ARG A 16 11.518 -6.628 15.727 1.00 25.71 N ATOM 0 H ARG A 16 17.012 -1.007 13.837 1.00 15.28 H new ATOM 0 HA ARG A 16 16.216 -3.293 15.619 1.00 15.21 H new ATOM 0 HB2 ARG A 16 14.721 -1.432 13.878 1.00 15.77 H new ATOM 0 HB3 ARG A 16 14.396 -3.111 13.494 1.00 15.77 H new ATOM 0 HG2 ARG A 16 14.189 -1.832 16.268 1.00 21.61 H new ATOM 0 HG3 ARG A 16 12.842 -2.325 15.261 1.00 21.61 H new ATOM 0 HD2 ARG A 16 14.801 -4.508 15.634 1.00 24.15 H new ATOM 0 HD3 ARG A 16 14.161 -3.934 17.161 1.00 24.15 H new ATOM 0 HE ARG A 16 11.861 -4.181 15.541 1.00 30.82 H new ATOM 0 HH11 ARG A 16 14.568 -6.174 16.521 1.00 34.38 H new ATOM 0 HH12 ARG A 16 13.646 -7.679 16.440 1.00 34.38 H new ATOM 0 HH21 ARG A 16 10.690 -6.107 15.437 1.00 25.71 H new ATOM 0 HH22 ARG A 16 11.472 -7.641 15.832 1.00 25.71 H new ATOM 274 N SER A 17 16.838 -5.027 13.892 1.00 22.35 N ATOM 275 CA SER A 17 17.387 -6.000 12.905 1.00 28.62 C ATOM 276 C SER A 17 16.814 -5.696 11.518 1.00 31.32 C ATOM 277 O SER A 17 15.615 -5.664 11.324 1.00 33.90 O ATOM 278 CB SER A 17 16.995 -7.421 13.315 1.00 30.78 C ATOM 279 OG SER A 17 17.938 -7.915 14.258 1.00 38.77 O ATOM 0 H SER A 17 16.536 -5.430 14.779 1.00 22.35 H new ATOM 0 HA SER A 17 18.473 -5.916 12.879 1.00 28.62 H new ATOM 0 HB2 SER A 17 15.995 -7.424 13.748 1.00 30.78 H new ATOM 0 HB3 SER A 17 16.965 -8.069 12.439 1.00 30.78 H new ATOM 0 HG SER A 17 17.689 -8.825 14.524 1.00 38.77 H new ATOM 285 N GLY A 18 17.663 -5.473 10.553 1.00 32.28 N ATOM 286 CA GLY A 18 17.171 -5.172 9.179 1.00 32.82 C ATOM 287 C GLY A 18 17.950 -6.008 8.165 1.00 34.58 C ATOM 288 O GLY A 18 19.129 -6.248 8.323 1.00 34.04 O ATOM 0 H GLY A 18 18.678 -5.486 10.657 1.00 32.28 H new ATOM 0 HA2 GLY A 18 16.106 -5.392 9.106 1.00 32.82 H new ATOM 0 HA3 GLY A 18 17.293 -4.111 8.962 1.00 32.82 H new ATOM 292 N VAL A 19 17.304 -6.450 7.122 1.00 36.31 N ATOM 293 CA VAL A 19 18.015 -7.265 6.098 1.00 38.94 C ATOM 294 C VAL A 19 17.559 -6.832 4.705 1.00 39.44 C ATOM 295 O VAL A 19 16.388 -6.871 4.385 1.00 39.08 O ATOM 296 CB VAL A 19 17.697 -8.747 6.302 1.00 39.83 C ATOM 297 CG1 VAL A 19 18.851 -9.596 5.766 1.00 41.87 C ATOM 298 CG2 VAL A 19 17.506 -9.028 7.795 1.00 39.95 C ATOM 0 H VAL A 19 16.315 -6.282 6.935 1.00 36.31 H new ATOM 0 HA VAL A 19 19.090 -7.114 6.197 1.00 38.94 H new ATOM 0 HB VAL A 19 16.782 -8.999 5.765 1.00 39.83 H new ATOM 0 HG11 VAL A 19 18.624 -10.652 5.912 1.00 41.87 H new ATOM 0 HG12 VAL A 19 18.986 -9.397 4.703 1.00 41.87 H new ATOM 0 HG13 VAL A 19 19.767 -9.345 6.301 1.00 41.87 H new ATOM 0 HG21 VAL A 19 17.279 -10.084 7.940 1.00 39.95 H new ATOM 0 HG22 VAL A 19 18.420 -8.776 8.333 1.00 39.95 H new ATOM 0 HG23 VAL A 19 16.682 -8.424 8.176 1.00 39.95 H new ATOM 308 N SER A 20 18.474 -6.407 3.878 1.00 41.09 N ATOM 309 CA SER A 20 18.092 -5.958 2.511 1.00 44.70 C ATOM 310 C SER A 20 17.578 -7.151 1.701 1.00 47.21 C ATOM 311 O SER A 20 17.762 -8.293 2.072 1.00 47.07 O ATOM 312 CB SER A 20 19.311 -5.348 1.814 1.00 44.37 C ATOM 313 OG SER A 20 19.837 -6.279 0.876 1.00 46.57 O ATOM 0 H SER A 20 19.470 -6.351 4.091 1.00 41.09 H new ATOM 0 HA SER A 20 17.304 -5.208 2.584 1.00 44.70 H new ATOM 0 HB2 SER A 20 19.029 -4.425 1.307 1.00 44.37 H new ATOM 0 HB3 SER A 20 20.072 -5.088 2.550 1.00 44.37 H new ATOM 0 HG SER A 20 20.034 -5.819 0.034 1.00 46.57 H new ATOM 319 N ARG A 21 16.933 -6.891 0.597 1.00 50.78 N ATOM 320 CA ARG A 21 16.404 -8.005 -0.239 1.00 55.55 C ATOM 321 C ARG A 21 17.548 -8.938 -0.641 1.00 55.58 C ATOM 322 O ARG A 21 17.329 -10.052 -1.071 1.00 54.47 O ATOM 323 CB ARG A 21 15.748 -7.433 -1.497 1.00 59.49 C ATOM 324 CG ARG A 21 16.820 -6.816 -2.395 1.00 60.53 C ATOM 325 CD ARG A 21 17.175 -7.796 -3.517 1.00 64.36 C ATOM 326 NE ARG A 21 16.242 -7.598 -4.662 1.00 68.68 N ATOM 327 CZ ARG A 21 16.526 -8.100 -5.834 1.00 71.11 C ATOM 328 NH1 ARG A 21 17.629 -8.776 -6.010 1.00 70.71 N ATOM 329 NH2 ARG A 21 15.704 -7.925 -6.833 1.00 71.56 N ATOM 0 H ARG A 21 16.749 -5.954 0.238 1.00 50.78 H new ATOM 0 HA ARG A 21 15.666 -8.565 0.335 1.00 55.55 H new ATOM 0 HB2 ARG A 21 15.218 -8.220 -2.033 1.00 59.49 H new ATOM 0 HB3 ARG A 21 15.009 -6.680 -1.224 1.00 59.49 H new ATOM 0 HG2 ARG A 21 16.459 -5.878 -2.818 1.00 60.53 H new ATOM 0 HG3 ARG A 21 17.708 -6.581 -1.809 1.00 60.53 H new ATOM 0 HD2 ARG A 21 18.204 -7.638 -3.841 1.00 64.36 H new ATOM 0 HD3 ARG A 21 17.109 -8.821 -3.153 1.00 64.36 H new ATOM 0 HE ARG A 21 15.380 -7.069 -4.530 1.00 68.68 H new ATOM 0 HH11 ARG A 21 18.273 -8.914 -5.231 1.00 70.71 H new ATOM 0 HH12 ARG A 21 17.847 -9.166 -6.927 1.00 70.71 H new ATOM 0 HH21 ARG A 21 14.842 -7.397 -6.698 1.00 71.56 H new ATOM 0 HH22 ARG A 21 15.924 -8.316 -7.749 1.00 71.56 H new ATOM 343 N GLN A 22 18.769 -8.493 -0.509 1.00 57.32 N ATOM 344 CA GLN A 22 19.918 -9.362 -0.888 1.00 58.73 C ATOM 345 C GLN A 22 20.244 -10.317 0.262 1.00 58.18 C ATOM 346 O GLN A 22 21.231 -11.025 0.234 1.00 59.52 O ATOM 347 CB GLN A 22 21.138 -8.492 -1.199 1.00 62.32 C ATOM 348 CG GLN A 22 21.025 -7.949 -2.625 1.00 65.12 C ATOM 349 CD GLN A 22 22.424 -7.775 -3.219 1.00 66.38 C ATOM 350 OE1 GLN A 22 23.282 -7.163 -2.614 1.00 66.60 O ATOM 351 NE2 GLN A 22 22.693 -8.290 -4.388 1.00 65.96 N ATOM 0 H GLN A 22 19.019 -7.569 -0.157 1.00 57.32 H new ATOM 0 HA GLN A 22 19.655 -9.943 -1.772 1.00 58.73 H new ATOM 0 HB2 GLN A 22 21.201 -7.668 -0.488 1.00 62.32 H new ATOM 0 HB3 GLN A 22 22.052 -9.076 -1.092 1.00 62.32 H new ATOM 0 HG2 GLN A 22 20.440 -8.633 -3.240 1.00 65.12 H new ATOM 0 HG3 GLN A 22 20.499 -6.994 -2.621 1.00 65.12 H new ATOM 0 HE21 GLN A 22 21.974 -8.804 -4.897 1.00 65.96 H new ATOM 0 HE22 GLN A 22 23.623 -8.179 -4.793 1.00 65.96 H new ATOM 360 N GLY A 23 19.415 -10.349 1.268 1.00 55.49 N ATOM 361 CA GLY A 23 19.668 -11.266 2.417 1.00 50.89 C ATOM 362 C GLY A 23 20.739 -10.673 3.335 1.00 48.17 C ATOM 363 O GLY A 23 21.140 -11.283 4.306 1.00 50.32 O ATOM 0 H GLY A 23 18.572 -9.780 1.345 1.00 55.49 H new ATOM 0 HA2 GLY A 23 18.746 -11.425 2.976 1.00 50.89 H new ATOM 0 HA3 GLY A 23 19.991 -12.241 2.051 1.00 50.89 H new ATOM 367 N LYS A 24 21.207 -9.491 3.042 1.00 44.99 N ATOM 368 CA LYS A 24 22.250 -8.874 3.909 1.00 42.22 C ATOM 369 C LYS A 24 21.570 -8.063 5.019 1.00 42.41 C ATOM 370 O LYS A 24 20.576 -7.410 4.779 1.00 42.26 O ATOM 371 CB LYS A 24 23.136 -7.951 3.068 1.00 40.33 C ATOM 372 CG LYS A 24 22.364 -6.677 2.716 1.00 40.86 C ATOM 373 CD LYS A 24 22.813 -6.169 1.345 1.00 37.00 C ATOM 374 CE LYS A 24 23.724 -4.953 1.525 1.00 36.58 C ATOM 375 NZ LYS A 24 24.878 -5.054 0.587 1.00 34.22 N ATOM 0 H LYS A 24 20.914 -8.928 2.244 1.00 44.99 H new ATOM 0 HA LYS A 24 22.866 -9.656 4.353 1.00 42.22 H new ATOM 0 HB2 LYS A 24 24.042 -7.699 3.619 1.00 40.33 H new ATOM 0 HB3 LYS A 24 23.449 -8.462 2.157 1.00 40.33 H new ATOM 0 HG2 LYS A 24 21.293 -6.879 2.708 1.00 40.86 H new ATOM 0 HG3 LYS A 24 22.538 -5.913 3.473 1.00 40.86 H new ATOM 0 HD2 LYS A 24 23.342 -6.957 0.809 1.00 37.00 H new ATOM 0 HD3 LYS A 24 21.945 -5.901 0.743 1.00 37.00 H new ATOM 0 HE2 LYS A 24 23.166 -4.036 1.335 1.00 36.58 H new ATOM 0 HE3 LYS A 24 24.081 -4.902 2.554 1.00 36.58 H new ATOM 0 HZ1 LYS A 24 25.498 -4.228 0.709 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 25.414 -5.922 0.789 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 24.528 -5.083 -0.392 1.00 34.22 H new ATOM 389 N PRO A 25 22.128 -8.129 6.204 1.00 42.36 N ATOM 390 CA PRO A 25 21.593 -7.408 7.374 1.00 40.32 C ATOM 391 C PRO A 25 21.990 -5.928 7.312 1.00 36.91 C ATOM 392 O PRO A 25 23.135 -5.599 7.074 1.00 36.63 O ATOM 393 CB PRO A 25 22.259 -8.110 8.560 1.00 42.73 C ATOM 394 CG PRO A 25 23.533 -8.778 8.008 1.00 43.71 C ATOM 395 CD PRO A 25 23.340 -8.921 6.489 1.00 44.10 C ATOM 0 HA PRO A 25 20.505 -7.426 7.435 1.00 40.32 H new ATOM 0 HB2 PRO A 25 22.504 -7.396 9.347 1.00 42.73 H new ATOM 0 HB3 PRO A 25 21.590 -8.851 8.999 1.00 42.73 H new ATOM 0 HG2 PRO A 25 24.413 -8.174 8.230 1.00 43.71 H new ATOM 0 HG3 PRO A 25 23.690 -9.752 8.471 1.00 43.71 H new ATOM 0 HD2 PRO A 25 24.202 -8.542 5.940 1.00 44.10 H new ATOM 0 HD3 PRO A 25 23.212 -9.964 6.200 1.00 44.10 H new ATOM 403 N TYR A 26 21.061 -5.025 7.514 1.00 32.09 N ATOM 404 CA TYR A 26 21.425 -3.579 7.449 1.00 27.86 C ATOM 405 C TYR A 26 20.956 -2.842 8.701 1.00 26.29 C ATOM 406 O TYR A 26 20.834 -1.635 8.697 1.00 28.07 O ATOM 407 CB TYR A 26 20.806 -2.933 6.201 1.00 23.99 C ATOM 408 CG TYR A 26 19.301 -3.128 6.181 1.00 24.09 C ATOM 409 CD1 TYR A 26 18.496 -2.522 7.150 1.00 24.19 C ATOM 410 CD2 TYR A 26 18.714 -3.899 5.168 1.00 24.63 C ATOM 411 CE1 TYR A 26 17.105 -2.691 7.112 1.00 24.77 C ATOM 412 CE2 TYR A 26 17.324 -4.065 5.130 1.00 24.84 C ATOM 413 CZ TYR A 26 16.521 -3.462 6.103 1.00 24.25 C ATOM 414 OH TYR A 26 15.151 -3.625 6.066 1.00 29.25 O ATOM 0 H TYR A 26 20.082 -5.224 7.718 1.00 32.09 H new ATOM 0 HA TYR A 26 22.511 -3.505 7.391 1.00 27.86 H new ATOM 0 HB2 TYR A 26 21.039 -1.868 6.184 1.00 23.99 H new ATOM 0 HB3 TYR A 26 21.245 -3.370 5.304 1.00 23.99 H new ATOM 0 HD1 TYR A 26 18.946 -1.923 7.928 1.00 24.19 H new ATOM 0 HD2 TYR A 26 19.334 -4.365 4.417 1.00 24.63 H new ATOM 0 HE1 TYR A 26 16.484 -2.225 7.863 1.00 24.77 H new ATOM 0 HE2 TYR A 26 16.872 -4.659 4.349 1.00 24.84 H new ATOM 0 HH TYR A 26 14.909 -4.188 5.301 1.00 29.25 H new ATOM 424 N SER A 27 20.727 -3.573 9.764 1.00 24.52 N ATOM 425 CA SER A 27 20.276 -2.975 11.074 1.00 22.20 C ATOM 426 C SER A 27 19.840 -1.521 10.888 1.00 20.52 C ATOM 427 O SER A 27 20.424 -0.607 11.437 1.00 23.07 O ATOM 428 CB SER A 27 21.428 -3.033 12.077 1.00 25.30 C ATOM 429 OG SER A 27 21.435 -4.306 12.712 1.00 29.25 O ATOM 0 H SER A 27 20.835 -4.587 9.785 1.00 24.52 H new ATOM 0 HA SER A 27 19.425 -3.548 11.444 1.00 22.20 H new ATOM 0 HB2 SER A 27 22.377 -2.862 11.569 1.00 25.30 H new ATOM 0 HB3 SER A 27 21.318 -2.244 12.820 1.00 25.30 H new ATOM 0 HG SER A 27 22.174 -4.347 13.355 1.00 29.25 H new ATOM 435 N LEU A 28 18.833 -1.306 10.094 1.00 18.57 N ATOM 436 CA LEU A 28 18.363 0.083 9.834 1.00 16.31 C ATOM 437 C LEU A 28 17.874 0.744 11.125 1.00 14.21 C ATOM 438 O LEU A 28 17.704 0.110 12.147 1.00 16.97 O ATOM 439 CB LEU A 28 17.239 0.060 8.785 1.00 16.48 C ATOM 440 CG LEU A 28 15.927 -0.477 9.380 1.00 22.19 C ATOM 441 CD1 LEU A 28 16.193 -1.696 10.272 1.00 24.00 C ATOM 442 CD2 LEU A 28 15.252 0.621 10.206 1.00 22.01 C ATOM 0 H LEU A 28 18.311 -2.036 9.610 1.00 18.57 H new ATOM 0 HA LEU A 28 19.199 0.670 9.452 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.080 1.067 8.398 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.539 -0.562 7.942 1.00 16.48 H new ATOM 0 HG LEU A 28 15.274 -0.780 8.562 1.00 22.19 H new ATOM 0 HD11 LEU A 28 15.251 -2.059 10.682 1.00 24.00 H new ATOM 0 HD12 LEU A 28 16.659 -2.484 9.681 1.00 24.00 H new ATOM 0 HD13 LEU A 28 16.858 -1.412 11.087 1.00 24.00 H new ATOM 0 HD21 LEU A 28 14.322 0.240 10.627 1.00 22.01 H new ATOM 0 HD22 LEU A 28 15.916 0.930 11.013 1.00 22.01 H new ATOM 0 HD23 LEU A 28 15.036 1.477 9.566 1.00 22.01 H new ATOM 454 N ASN A 29 17.654 2.028 11.074 1.00 11.64 N ATOM 455 CA ASN A 29 17.178 2.768 12.279 1.00 9.77 C ATOM 456 C ASN A 29 15.693 3.098 12.094 1.00 7.94 C ATOM 457 O ASN A 29 15.294 3.631 11.080 1.00 10.52 O ATOM 458 CB ASN A 29 17.976 4.071 12.442 1.00 14.73 C ATOM 459 CG ASN A 29 19.163 4.102 11.471 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.885 3.133 11.344 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.394 5.183 10.777 1.00 12.89 N ATOM 0 H ASN A 29 17.785 2.603 10.242 1.00 11.64 H new ATOM 0 HA ASN A 29 17.319 2.154 13.169 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.327 4.927 12.258 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.336 4.158 13.467 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.180 5.214 10.128 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.788 5.997 10.883 1.00 12.89 H new ATOM 468 N GLU A 30 14.868 2.775 13.053 1.00 8.58 N ATOM 469 CA GLU A 30 13.408 3.065 12.910 1.00 13.16 C ATOM 470 C GLU A 30 12.993 4.161 13.897 1.00 12.26 C ATOM 471 O GLU A 30 13.570 4.308 14.955 1.00 10.58 O ATOM 472 CB GLU A 30 12.611 1.792 13.204 1.00 14.93 C ATOM 473 CG GLU A 30 12.204 1.125 11.887 1.00 27.13 C ATOM 474 CD GLU A 30 10.763 0.623 11.993 1.00 33.28 C ATOM 475 OE1 GLU A 30 10.404 0.131 13.050 1.00 40.03 O ATOM 476 OE2 GLU A 30 10.043 0.737 11.014 1.00 38.01 O ATOM 0 H GLU A 30 15.138 2.324 13.927 1.00 8.58 H new ATOM 0 HA GLU A 30 13.207 3.404 11.894 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.211 1.105 13.801 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.724 2.033 13.790 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.293 1.835 11.065 1.00 27.13 H new ATOM 0 HG3 GLU A 30 12.874 0.294 11.665 1.00 27.13 H new ATOM 483 N GLN A 31 11.989 4.928 13.559 1.00 10.34 N ATOM 484 CA GLN A 31 11.530 6.009 14.479 1.00 9.46 C ATOM 485 C GLN A 31 10.004 5.970 14.593 1.00 10.09 C ATOM 486 O GLN A 31 9.341 5.198 13.930 1.00 9.36 O ATOM 487 CB GLN A 31 11.961 7.376 13.930 1.00 7.25 C ATOM 488 CG GLN A 31 12.115 8.371 15.087 1.00 10.62 C ATOM 489 CD GLN A 31 11.283 9.623 14.797 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.193 9.532 14.268 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.755 10.796 15.122 1.00 12.39 N ATOM 0 H GLN A 31 11.468 4.852 12.686 1.00 10.34 H new ATOM 0 HA GLN A 31 11.976 5.856 15.462 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.903 7.282 13.391 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.222 7.743 13.218 1.00 7.25 H new ATOM 0 HG2 GLN A 31 11.789 7.913 16.021 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.164 8.639 15.213 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.670 10.872 15.566 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.209 11.636 14.932 1.00 12.39 H new ATOM 500 N LEU A 32 9.444 6.802 15.429 1.00 6.80 N ATOM 501 CA LEU A 32 7.963 6.823 15.590 1.00 10.34 C ATOM 502 C LEU A 32 7.458 8.257 15.403 1.00 9.02 C ATOM 503 O LEU A 32 8.186 9.209 15.601 1.00 11.15 O ATOM 504 CB LEU A 32 7.599 6.330 16.992 1.00 10.20 C ATOM 505 CG LEU A 32 8.291 4.992 17.257 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.645 5.239 17.927 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.413 4.138 18.175 1.00 15.89 C ATOM 0 H LEU A 32 9.951 7.470 16.009 1.00 6.80 H new ATOM 0 HA LEU A 32 7.501 6.173 14.847 1.00 10.34 H new ATOM 0 HB2 LEU A 32 7.905 7.064 17.738 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.519 6.217 17.080 1.00 10.20 H new ATOM 0 HG LEU A 32 8.446 4.470 16.313 1.00 16.38 H new ATOM 0 HD11 LEU A 32 10.137 4.285 18.115 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.270 5.846 17.272 1.00 17.42 H new ATOM 0 HD13 LEU A 32 9.494 5.762 18.871 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.905 3.184 18.365 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.258 4.660 19.119 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.450 3.961 17.696 1.00 15.89 H new ATOM 519 N CYS A 33 6.218 8.421 15.024 1.00 9.68 N ATOM 520 CA CYS A 33 5.665 9.790 14.826 1.00 8.10 C ATOM 521 C CYS A 33 4.157 9.733 15.040 1.00 6.34 C ATOM 522 O CYS A 33 3.611 8.702 15.372 1.00 8.02 O ATOM 523 CB CYS A 33 5.949 10.287 13.401 1.00 8.88 C ATOM 524 SG CYS A 33 7.520 9.618 12.798 1.00 13.84 S ATOM 0 H CYS A 33 5.563 7.661 14.843 1.00 9.68 H new ATOM 0 HA CYS A 33 6.133 10.474 15.534 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.139 9.986 12.736 1.00 8.88 H new ATOM 0 HB3 CYS A 33 5.982 11.376 13.389 1.00 8.88 H new ATOM 0 HG CYS A 33 8.401 9.650 13.754 1.00 13.84 H new ATOM 530 N TYR A 34 3.475 10.823 14.849 1.00 7.35 N ATOM 531 CA TYR A 34 2.002 10.812 15.043 1.00 7.08 C ATOM 532 C TYR A 34 1.322 11.450 13.833 1.00 7.71 C ATOM 533 O TYR A 34 1.304 12.657 13.691 1.00 7.80 O ATOM 534 CB TYR A 34 1.651 11.618 16.282 1.00 8.67 C ATOM 535 CG TYR A 34 1.828 10.778 17.525 1.00 9.11 C ATOM 536 CD1 TYR A 34 3.072 10.727 18.158 1.00 12.44 C ATOM 537 CD2 TYR A 34 0.738 10.080 18.061 1.00 13.61 C ATOM 538 CE1 TYR A 34 3.225 9.982 19.330 1.00 16.38 C ATOM 539 CE2 TYR A 34 0.892 9.333 19.227 1.00 17.22 C ATOM 540 CZ TYR A 34 2.133 9.288 19.864 1.00 16.83 C ATOM 541 OH TYR A 34 2.286 8.552 21.021 1.00 21.14 O ATOM 0 H TYR A 34 3.872 11.719 14.568 1.00 7.35 H new ATOM 0 HA TYR A 34 1.662 9.783 15.158 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.285 12.502 16.340 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.621 11.968 16.216 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.913 11.262 17.743 1.00 12.44 H new ATOM 0 HD2 TYR A 34 -0.223 10.121 17.570 1.00 13.61 H new ATOM 0 HE1 TYR A 34 4.185 9.942 19.823 1.00 16.38 H new ATOM 0 HE2 TYR A 34 0.053 8.790 19.637 1.00 17.22 H new ATOM 0 HH TYR A 34 1.432 8.133 21.258 1.00 21.14 H new ATOM 551 N VAL A 35 0.762 10.662 12.960 1.00 9.44 N ATOM 552 CA VAL A 35 0.094 11.252 11.769 1.00 10.66 C ATOM 553 C VAL A 35 -1.380 11.515 12.064 1.00 10.57 C ATOM 554 O VAL A 35 -2.113 10.634 12.469 1.00 8.31 O ATOM 555 CB VAL A 35 0.213 10.307 10.577 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.636 10.850 9.425 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.678 10.231 10.140 1.00 9.86 C ATOM 0 H VAL A 35 0.738 9.644 13.018 1.00 9.44 H new ATOM 0 HA VAL A 35 0.585 12.196 11.531 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.136 9.312 10.853 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.557 10.181 8.568 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.677 10.915 9.740 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.279 11.841 9.145 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.769 9.557 9.288 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.025 11.224 9.855 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.285 9.857 10.965 1.00 9.86 H new ATOM 567 N ASP A 36 -1.823 12.725 11.855 1.00 8.58 N ATOM 568 CA ASP A 36 -3.246 13.049 12.106 1.00 11.48 C ATOM 569 C ASP A 36 -4.101 12.325 11.067 1.00 12.38 C ATOM 570 O ASP A 36 -5.135 11.770 11.375 1.00 11.89 O ATOM 571 CB ASP A 36 -3.458 14.560 11.983 1.00 16.17 C ATOM 572 CG ASP A 36 -3.447 15.194 13.376 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.943 14.562 14.289 1.00 15.67 O ATOM 574 OD2 ASP A 36 -3.944 16.301 13.505 1.00 25.89 O ATOM 0 H ASP A 36 -1.254 13.502 11.520 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.530 12.731 13.109 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -2.674 14.999 11.366 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.406 14.765 11.486 1.00 16.17 H new ATOM 579 N LEU A 37 -3.665 12.318 9.836 1.00 13.17 N ATOM 580 CA LEU A 37 -4.439 11.623 8.770 1.00 18.47 C ATOM 581 C LEU A 37 -5.912 12.018 8.860 1.00 21.14 C ATOM 582 O LEU A 37 -6.790 11.178 8.844 1.00 24.24 O ATOM 583 CB LEU A 37 -4.315 10.112 8.958 1.00 15.81 C ATOM 584 CG LEU A 37 -5.037 9.400 7.818 1.00 20.59 C ATOM 585 CD1 LEU A 37 -4.024 8.584 7.014 1.00 14.72 C ATOM 586 CD2 LEU A 37 -6.106 8.467 8.395 1.00 20.01 C ATOM 0 H LEU A 37 -2.803 12.765 9.523 1.00 13.17 H new ATOM 0 HA LEU A 37 -4.044 11.910 7.795 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.265 9.821 8.976 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.744 9.817 9.916 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.513 10.135 7.168 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.534 8.073 6.198 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -3.263 9.249 6.606 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.552 7.848 7.664 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.622 7.958 7.581 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.633 7.729 9.043 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.824 9.049 8.972 1.00 20.01 H new ATOM 598 N GLY A 38 -6.195 13.286 8.962 1.00 20.70 N ATOM 599 CA GLY A 38 -7.614 13.720 9.061 1.00 23.91 C ATOM 600 C GLY A 38 -8.178 13.303 10.424 1.00 26.50 C ATOM 601 O GLY A 38 -9.346 13.481 10.706 1.00 31.02 O ATOM 0 H GLY A 38 -5.506 14.038 8.981 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.685 14.801 8.941 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.200 13.271 8.259 1.00 23.91 H new ATOM 605 N ASN A 39 -7.348 12.759 11.275 1.00 27.64 N ATOM 606 CA ASN A 39 -7.808 12.338 12.617 1.00 30.27 C ATOM 607 C ASN A 39 -7.308 13.355 13.641 1.00 26.79 C ATOM 608 O ASN A 39 -6.184 13.292 14.090 1.00 26.87 O ATOM 609 CB ASN A 39 -7.244 10.952 12.954 1.00 35.62 C ATOM 610 CG ASN A 39 -7.081 10.130 11.672 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.844 10.281 10.739 1.00 43.23 O ATOM 612 ND2 ASN A 39 -6.111 9.258 11.588 1.00 39.63 N ATOM 0 H ASN A 39 -6.360 12.589 11.088 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.897 12.287 12.635 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.282 11.054 13.456 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.911 10.436 13.645 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.995 8.705 10.739 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.470 9.131 12.371 1.00 39.63 H new ATOM 619 N GLU A 40 -8.138 14.301 13.980 1.00 25.15 N ATOM 620 CA GLU A 40 -7.753 15.365 14.962 1.00 23.81 C ATOM 621 C GLU A 40 -6.750 14.826 15.981 1.00 21.12 C ATOM 622 O GLU A 40 -5.832 15.510 16.389 1.00 19.86 O ATOM 623 CB GLU A 40 -9.004 15.860 15.692 1.00 27.22 C ATOM 624 CG GLU A 40 -9.826 16.748 14.756 1.00 34.87 C ATOM 625 CD GLU A 40 -10.522 17.842 15.568 1.00 38.97 C ATOM 626 OE1 GLU A 40 -11.334 17.499 16.412 1.00 39.54 O ATOM 627 OE2 GLU A 40 -10.231 19.003 15.333 1.00 42.34 O ATOM 0 H GLU A 40 -9.086 14.387 13.613 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.288 16.188 14.419 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.603 15.012 16.024 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -8.720 16.419 16.584 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -9.179 17.196 14.002 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.566 16.148 14.225 1.00 34.87 H new ATOM 634 N HIS A 41 -6.913 13.605 16.380 1.00 5.18 N ATOM 635 CA HIS A 41 -5.966 13.003 17.363 1.00 4.46 C ATOM 636 C HIS A 41 -4.763 12.443 16.603 1.00 3.41 C ATOM 637 O HIS A 41 -4.902 11.979 15.489 1.00 2.73 O ATOM 638 CB HIS A 41 -6.664 11.875 18.123 1.00 5.25 C ATOM 639 CG HIS A 41 -7.530 12.460 19.205 1.00 4.27 C ATOM 640 ND1 HIS A 41 -8.082 13.727 19.105 1.00 4.61 N ATOM 641 CD2 HIS A 41 -7.948 11.963 20.415 1.00 3.80 C ATOM 642 CE1 HIS A 41 -8.795 13.948 20.225 1.00 4.05 C ATOM 643 NE2 HIS A 41 -8.747 12.904 21.057 1.00 3.68 N ATOM 0 H HIS A 41 -7.664 12.988 16.070 1.00 5.18 H new ATOM 0 HA HIS A 41 -5.637 13.760 18.075 1.00 4.46 H new ATOM 0 HB2 HIS A 41 -7.270 11.282 17.438 1.00 5.25 H new ATOM 0 HB3 HIS A 41 -5.924 11.203 18.558 1.00 5.25 H new ATOM 0 HD2 HIS A 41 -7.695 10.990 20.809 1.00 3.80 H new ATOM 0 HE1 HIS A 41 -9.340 14.859 20.427 1.00 4.05 H new ATOM 0 HE2 HIS A 41 -9.199 12.816 21.967 1.00 3.68 H new ATOM 651 N PRO A 42 -3.612 12.508 17.217 1.00 15.11 N ATOM 652 CA PRO A 42 -2.372 12.019 16.599 1.00 16.08 C ATOM 653 C PRO A 42 -2.313 10.496 16.647 1.00 17.92 C ATOM 654 O PRO A 42 -2.627 9.883 17.647 1.00 17.13 O ATOM 655 CB PRO A 42 -1.272 12.620 17.470 1.00 16.41 C ATOM 656 CG PRO A 42 -1.918 12.925 18.835 1.00 13.79 C ATOM 657 CD PRO A 42 -3.435 13.060 18.576 1.00 16.28 C ATOM 0 HA PRO A 42 -2.285 12.298 15.549 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.440 11.924 17.580 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.871 13.527 17.018 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.715 12.126 19.548 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.513 13.843 19.260 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.017 12.505 19.312 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.759 14.099 18.631 1.00 16.28 H new ATOM 665 N VAL A 43 -1.901 9.882 15.579 1.00 16.29 N ATOM 666 CA VAL A 43 -1.807 8.402 15.570 1.00 14.28 C ATOM 667 C VAL A 43 -0.339 7.994 15.582 1.00 9.00 C ATOM 668 O VAL A 43 0.394 8.238 14.645 1.00 7.99 O ATOM 669 CB VAL A 43 -2.482 7.847 14.319 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.876 8.460 14.173 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.641 8.190 13.086 1.00 20.57 C ATOM 0 H VAL A 43 -1.625 10.342 14.711 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.308 8.001 16.451 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.570 6.764 14.408 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.356 8.062 13.279 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.476 8.212 15.048 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.790 9.543 14.087 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -2.125 7.793 12.194 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.549 9.273 12.998 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.649 7.749 13.188 1.00 20.57 H new ATOM 681 N LEU A 44 0.097 7.376 16.639 1.00 10.19 N ATOM 682 CA LEU A 44 1.517 6.958 16.715 1.00 11.55 C ATOM 683 C LEU A 44 1.789 5.893 15.656 1.00 10.61 C ATOM 684 O LEU A 44 1.319 4.776 15.743 1.00 13.49 O ATOM 685 CB LEU A 44 1.812 6.399 18.101 1.00 10.60 C ATOM 686 CG LEU A 44 3.249 5.892 18.142 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.190 6.998 17.658 1.00 15.65 C ATOM 688 CD2 LEU A 44 3.612 5.500 19.576 1.00 20.21 C ATOM 0 H LEU A 44 -0.470 7.142 17.454 1.00 10.19 H new ATOM 0 HA LEU A 44 2.161 7.818 16.534 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.664 7.171 18.856 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.121 5.589 18.334 1.00 10.60 H new ATOM 0 HG LEU A 44 3.348 5.021 17.494 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.219 6.639 17.686 1.00 15.65 H new ATOM 0 HD12 LEU A 44 3.930 7.275 16.636 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.092 7.869 18.306 1.00 15.65 H new ATOM 0 HD21 LEU A 44 4.640 5.137 19.605 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.515 6.369 20.226 1.00 20.21 H new ATOM 0 HD23 LEU A 44 2.940 4.714 19.919 1.00 20.21 H new ATOM 700 N VAL A 45 2.544 6.237 14.654 1.00 10.81 N ATOM 701 CA VAL A 45 2.853 5.258 13.577 1.00 9.29 C ATOM 702 C VAL A 45 4.350 4.962 13.577 1.00 9.95 C ATOM 703 O VAL A 45 5.134 5.670 14.178 1.00 9.36 O ATOM 704 CB VAL A 45 2.440 5.845 12.231 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.182 5.139 11.089 1.00 7.95 C ATOM 706 CG2 VAL A 45 0.933 5.661 12.047 1.00 10.20 C ATOM 0 H VAL A 45 2.963 7.159 14.533 1.00 10.81 H new ATOM 0 HA VAL A 45 2.305 4.332 13.750 1.00 9.29 H new ATOM 0 HB VAL A 45 2.694 6.905 12.212 1.00 4.64 H new ATOM 0 HG11 VAL A 45 2.876 5.569 10.135 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.256 5.269 11.218 1.00 7.95 H new ATOM 0 HG13 VAL A 45 2.941 4.076 11.101 1.00 7.95 H new ATOM 0 HG21 VAL A 45 0.630 6.078 11.087 1.00 10.20 H new ATOM 0 HG22 VAL A 45 0.690 4.599 12.074 1.00 10.20 H new ATOM 0 HG23 VAL A 45 0.403 6.175 12.849 1.00 10.20 H new ATOM 716 N LYS A 46 4.754 3.924 12.905 1.00 10.76 N ATOM 717 CA LYS A 46 6.200 3.595 12.869 1.00 12.81 C ATOM 718 C LYS A 46 6.822 4.171 11.596 1.00 13.35 C ATOM 719 O LYS A 46 6.367 3.915 10.499 1.00 12.90 O ATOM 720 CB LYS A 46 6.389 2.075 12.893 1.00 17.04 C ATOM 721 CG LYS A 46 5.698 1.491 14.127 1.00 26.60 C ATOM 722 CD LYS A 46 5.925 -0.022 14.171 1.00 33.77 C ATOM 723 CE LYS A 46 6.838 -0.369 15.349 1.00 34.48 C ATOM 724 NZ LYS A 46 7.618 -1.598 15.030 1.00 36.74 N ATOM 0 H LYS A 46 4.148 3.292 12.382 1.00 10.76 H new ATOM 0 HA LYS A 46 6.689 4.028 13.741 1.00 12.81 H new ATOM 0 HB2 LYS A 46 5.974 1.632 11.988 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.451 1.831 12.909 1.00 17.04 H new ATOM 0 HG2 LYS A 46 6.092 1.955 15.031 1.00 26.60 H new ATOM 0 HG3 LYS A 46 4.630 1.709 14.096 1.00 26.60 H new ATOM 0 HD2 LYS A 46 4.971 -0.540 14.272 1.00 33.77 H new ATOM 0 HD3 LYS A 46 6.375 -0.360 13.237 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.515 0.460 15.555 1.00 34.48 H new ATOM 0 HE3 LYS A 46 6.244 -0.526 16.249 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 8.238 -1.833 15.831 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 6.965 -2.388 14.854 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 8.196 -1.432 14.182 1.00 36.74 H new ATOM 738 N ILE A 47 7.858 4.952 11.735 1.00 13.96 N ATOM 739 CA ILE A 47 8.507 5.549 10.540 1.00 16.93 C ATOM 740 C ILE A 47 9.949 5.041 10.439 1.00 16.52 C ATOM 741 O ILE A 47 10.665 4.983 11.419 1.00 17.67 O ATOM 742 CB ILE A 47 8.489 7.079 10.670 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.566 7.714 9.282 1.00 19.39 C ATOM 744 CG2 ILE A 47 9.679 7.556 11.508 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.426 8.716 9.118 1.00 18.26 C ATOM 0 H ILE A 47 8.282 5.201 12.628 1.00 13.96 H new ATOM 0 HA ILE A 47 7.967 5.261 9.638 1.00 16.93 H new ATOM 0 HB ILE A 47 7.563 7.376 11.162 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.526 8.214 9.152 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.501 6.944 8.514 1.00 19.39 H new ATOM 0 HG21 ILE A 47 9.653 8.642 11.591 1.00 18.08 H new ATOM 0 HG22 ILE A 47 9.624 7.114 12.503 1.00 18.08 H new ATOM 0 HG23 ILE A 47 10.608 7.251 11.027 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.480 9.170 8.128 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.471 8.202 9.230 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.512 9.492 9.878 1.00 18.26 H new ATOM 757 N THR A 48 10.383 4.676 9.265 1.00 16.86 N ATOM 758 CA THR A 48 11.778 4.179 9.117 1.00 16.59 C ATOM 759 C THR A 48 12.753 5.330 9.362 1.00 19.04 C ATOM 760 O THR A 48 12.383 6.487 9.348 1.00 22.56 O ATOM 761 CB THR A 48 11.983 3.629 7.704 1.00 16.30 C ATOM 762 OG1 THR A 48 10.903 2.768 7.372 1.00 17.90 O ATOM 763 CG2 THR A 48 13.298 2.850 7.642 1.00 16.02 C ATOM 0 H THR A 48 9.834 4.700 8.405 1.00 16.86 H new ATOM 0 HA THR A 48 11.958 3.385 9.841 1.00 16.59 H new ATOM 0 HB THR A 48 12.021 4.455 6.994 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.169 2.180 6.635 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.442 2.459 6.635 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.126 3.512 7.896 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.265 2.023 8.351 1.00 16.02 H new ATOM 771 N LEU A 49 13.994 5.017 9.594 1.00 18.35 N ATOM 772 CA LEU A 49 15.003 6.074 9.851 1.00 18.82 C ATOM 773 C LEU A 49 16.375 5.566 9.402 1.00 20.06 C ATOM 774 O LEU A 49 17.072 4.906 10.145 1.00 18.35 O ATOM 775 CB LEU A 49 15.031 6.372 11.351 1.00 18.79 C ATOM 776 CG LEU A 49 15.569 7.778 11.601 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.063 7.828 11.271 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.817 8.791 10.731 1.00 14.50 C ATOM 0 H LEU A 49 14.355 4.063 9.617 1.00 18.35 H new ATOM 0 HA LEU A 49 14.752 6.982 9.302 1.00 18.82 H new ATOM 0 HB2 LEU A 49 14.027 6.280 11.766 1.00 18.79 H new ATOM 0 HB3 LEU A 49 15.656 5.640 11.863 1.00 18.79 H new ATOM 0 HG LEU A 49 15.422 8.030 12.651 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.442 8.834 11.451 1.00 20.41 H new ATOM 0 HD12 LEU A 49 17.599 7.120 11.903 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.213 7.566 10.224 1.00 20.41 H new ATOM 0 HD21 LEU A 49 15.208 9.791 10.917 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.952 8.538 9.679 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.756 8.765 10.977 1.00 14.50 H new ATOM 790 N ASP A 50 16.764 5.856 8.190 1.00 22.62 N ATOM 791 CA ASP A 50 18.087 5.372 7.703 1.00 27.04 C ATOM 792 C ASP A 50 18.707 6.411 6.767 1.00 27.73 C ATOM 793 O ASP A 50 18.372 7.578 6.809 1.00 26.65 O ATOM 794 CB ASP A 50 17.898 4.054 6.948 1.00 29.11 C ATOM 795 CG ASP A 50 18.725 2.957 7.619 1.00 30.37 C ATOM 796 OD1 ASP A 50 18.764 2.933 8.839 1.00 33.99 O ATOM 797 OD2 ASP A 50 19.307 2.159 6.903 1.00 30.76 O ATOM 0 H ASP A 50 16.226 6.404 7.519 1.00 22.62 H new ATOM 0 HA ASP A 50 18.750 5.216 8.554 1.00 27.04 H new ATOM 0 HB2 ASP A 50 16.844 3.776 6.940 1.00 29.11 H new ATOM 0 HB3 ASP A 50 18.205 4.171 5.909 1.00 29.11 H new ATOM 802 N GLU A 51 19.614 5.996 5.924 1.00 31.16 N ATOM 803 CA GLU A 51 20.258 6.960 4.989 1.00 34.22 C ATOM 804 C GLU A 51 20.727 8.184 5.775 1.00 34.98 C ATOM 805 O GLU A 51 20.988 8.110 6.959 1.00 34.19 O ATOM 806 CB GLU A 51 19.246 7.394 3.925 1.00 38.24 C ATOM 807 CG GLU A 51 18.656 6.158 3.245 1.00 46.84 C ATOM 808 CD GLU A 51 17.368 6.542 2.514 1.00 51.38 C ATOM 809 OE1 GLU A 51 16.506 7.132 3.144 1.00 53.83 O ATOM 810 OE2 GLU A 51 17.265 6.238 1.337 1.00 54.92 O ATOM 0 H GLU A 51 19.936 5.032 5.843 1.00 31.16 H new ATOM 0 HA GLU A 51 21.111 6.486 4.504 1.00 34.22 H new ATOM 0 HB2 GLU A 51 18.452 7.984 4.383 1.00 38.24 H new ATOM 0 HB3 GLU A 51 19.731 8.032 3.186 1.00 38.24 H new ATOM 0 HG2 GLU A 51 19.375 5.739 2.541 1.00 46.84 H new ATOM 0 HG3 GLU A 51 18.449 5.386 3.986 1.00 46.84 H new ATOM 817 N GLY A 52 20.832 9.311 5.129 1.00 34.53 N ATOM 818 CA GLY A 52 21.281 10.538 5.846 1.00 34.93 C ATOM 819 C GLY A 52 20.106 11.129 6.630 1.00 36.10 C ATOM 820 O GLY A 52 20.246 12.117 7.323 1.00 35.97 O ATOM 0 H GLY A 52 20.627 9.436 4.138 1.00 34.53 H new ATOM 0 HA2 GLY A 52 22.100 10.297 6.524 1.00 34.93 H new ATOM 0 HA3 GLY A 52 21.662 11.270 5.134 1.00 34.93 H new ATOM 824 N GLN A 53 18.947 10.537 6.519 1.00 36.52 N ATOM 825 CA GLN A 53 17.763 11.065 7.249 1.00 35.40 C ATOM 826 C GLN A 53 17.882 10.749 8.747 1.00 31.02 C ATOM 827 O GLN A 53 17.843 9.599 9.135 1.00 29.05 O ATOM 828 CB GLN A 53 16.501 10.405 6.696 1.00 41.20 C ATOM 829 CG GLN A 53 15.660 11.459 5.981 1.00 47.61 C ATOM 830 CD GLN A 53 14.661 10.774 5.047 1.00 53.32 C ATOM 831 OE1 GLN A 53 14.687 10.985 3.850 1.00 53.91 O ATOM 832 NE2 GLN A 53 13.775 9.956 5.545 1.00 54.76 N ATOM 0 H GLN A 53 18.771 9.708 5.952 1.00 36.52 H new ATOM 0 HA GLN A 53 17.712 12.146 7.115 1.00 35.40 H new ATOM 0 HB2 GLN A 53 16.767 9.604 6.006 1.00 41.20 H new ATOM 0 HB3 GLN A 53 15.928 9.952 7.505 1.00 41.20 H new ATOM 0 HG2 GLN A 53 15.130 12.071 6.710 1.00 47.61 H new ATOM 0 HG3 GLN A 53 16.305 12.128 5.412 1.00 47.61 H new ATOM 0 HE21 GLN A 53 13.752 9.778 6.549 1.00 54.76 H new ATOM 0 HE22 GLN A 53 13.105 9.494 4.930 1.00 54.76 H new ATOM 841 N PRO A 54 18.014 11.780 9.548 1.00 27.43 N ATOM 842 CA PRO A 54 18.130 11.637 11.010 1.00 23.44 C ATOM 843 C PRO A 54 16.746 11.432 11.634 1.00 20.14 C ATOM 844 O PRO A 54 15.746 11.855 11.088 1.00 21.64 O ATOM 845 CB PRO A 54 18.730 12.970 11.455 1.00 24.39 C ATOM 846 CG PRO A 54 18.396 13.988 10.344 1.00 27.18 C ATOM 847 CD PRO A 54 18.066 13.178 9.077 1.00 28.37 C ATOM 0 HA PRO A 54 18.734 10.781 11.311 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.311 13.286 12.410 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.808 12.885 11.593 1.00 24.39 H new ATOM 0 HG2 PRO A 54 17.551 14.612 10.634 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.239 14.656 10.166 1.00 27.18 H new ATOM 0 HD2 PRO A 54 17.116 13.488 8.642 1.00 28.37 H new ATOM 0 HD3 PRO A 54 18.827 13.312 8.309 1.00 28.37 H new ATOM 855 N ALA A 55 16.678 10.782 12.768 1.00 17.21 N ATOM 856 CA ALA A 55 15.361 10.548 13.422 1.00 15.58 C ATOM 857 C ALA A 55 14.474 11.789 13.289 1.00 16.41 C ATOM 858 O ALA A 55 14.869 12.890 13.617 1.00 13.65 O ATOM 859 CB ALA A 55 15.582 10.235 14.903 1.00 13.98 C ATOM 0 H ALA A 55 17.482 10.403 13.268 1.00 17.21 H new ATOM 0 HA ALA A 55 14.866 9.708 12.935 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.620 10.063 15.386 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.201 9.343 14.998 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.083 11.076 15.382 1.00 13.98 H new ATOM 865 N TYR A 56 13.272 11.611 12.811 1.00 15.93 N ATOM 866 CA TYR A 56 12.345 12.767 12.656 1.00 14.61 C ATOM 867 C TYR A 56 12.353 13.589 13.947 1.00 15.51 C ATOM 868 O TYR A 56 11.678 13.266 14.901 1.00 17.19 O ATOM 869 CB TYR A 56 10.927 12.252 12.376 1.00 12.92 C ATOM 870 CG TYR A 56 10.918 11.471 11.075 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.307 10.127 11.066 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.537 12.098 9.883 1.00 12.42 C ATOM 873 CE1 TYR A 56 11.314 9.410 9.868 1.00 7.90 C ATOM 874 CE2 TYR A 56 10.542 11.377 8.683 1.00 11.47 C ATOM 875 CZ TYR A 56 10.930 10.034 8.676 1.00 10.29 C ATOM 876 OH TYR A 56 10.937 9.325 7.492 1.00 12.03 O ATOM 0 H TYR A 56 12.891 10.710 12.520 1.00 15.93 H new ATOM 0 HA TYR A 56 12.668 13.392 11.823 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.591 11.617 13.196 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.231 13.088 12.315 1.00 12.92 H new ATOM 0 HD1 TYR A 56 11.602 9.644 11.986 1.00 7.14 H new ATOM 0 HD2 TYR A 56 10.240 13.136 9.889 1.00 12.42 H new ATOM 0 HE1 TYR A 56 11.616 8.373 9.861 1.00 7.90 H new ATOM 0 HE2 TYR A 56 10.246 11.858 7.763 1.00 11.47 H new ATOM 0 HH TYR A 56 10.642 9.907 6.761 1.00 12.03 H new ATOM 886 N ALA A 57 13.119 14.644 13.987 1.00 13.38 N ATOM 887 CA ALA A 57 13.175 15.480 15.221 1.00 14.95 C ATOM 888 C ALA A 57 11.752 15.795 15.693 1.00 15.46 C ATOM 889 O ALA A 57 10.791 15.446 15.035 1.00 17.82 O ATOM 890 CB ALA A 57 13.913 16.785 14.920 1.00 14.98 C ATOM 0 H ALA A 57 13.709 14.964 13.219 1.00 13.38 H new ATOM 0 HA ALA A 57 13.704 14.935 16.003 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.954 17.396 15.822 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.926 16.561 14.587 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.385 17.329 14.137 1.00 14.98 H new ATOM 896 N PRO A 58 11.662 16.451 16.823 1.00 15.20 N ATOM 897 CA PRO A 58 10.371 16.836 17.417 1.00 16.55 C ATOM 898 C PRO A 58 9.793 18.047 16.684 1.00 16.75 C ATOM 899 O PRO A 58 10.455 19.050 16.503 1.00 17.28 O ATOM 900 CB PRO A 58 10.728 17.184 18.864 1.00 15.65 C ATOM 901 CG PRO A 58 12.238 17.522 18.871 1.00 14.16 C ATOM 902 CD PRO A 58 12.839 16.872 17.611 1.00 13.96 C ATOM 0 HA PRO A 58 9.615 16.053 17.352 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.139 18.030 19.217 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.514 16.347 19.529 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.394 18.601 18.863 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.717 17.138 19.772 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.458 17.577 17.056 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.473 16.022 17.865 1.00 13.96 H new ATOM 910 N GLY A 59 8.565 17.961 16.254 1.00 17.22 N ATOM 911 CA GLY A 59 7.951 19.105 15.528 1.00 15.08 C ATOM 912 C GLY A 59 6.752 18.614 14.717 1.00 14.96 C ATOM 913 O GLY A 59 6.468 17.436 14.673 1.00 13.79 O ATOM 0 H GLY A 59 7.961 17.148 16.374 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.635 19.871 16.236 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.685 19.566 14.867 1.00 15.08 H new ATOM 917 N LEU A 60 6.052 19.504 14.066 1.00 15.83 N ATOM 918 CA LEU A 60 4.885 19.078 13.245 1.00 14.53 C ATOM 919 C LEU A 60 5.408 18.412 11.975 1.00 14.15 C ATOM 920 O LEU A 60 6.443 18.785 11.461 1.00 13.27 O ATOM 921 CB LEU A 60 4.050 20.304 12.866 1.00 15.84 C ATOM 922 CG LEU A 60 2.881 20.445 13.838 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.374 21.079 15.140 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.802 21.333 13.211 1.00 15.01 C ATOM 0 H LEU A 60 6.239 20.507 14.068 1.00 15.83 H new ATOM 0 HA LEU A 60 4.264 18.383 13.810 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.669 21.201 12.892 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.679 20.203 11.846 1.00 15.84 H new ATOM 0 HG LEU A 60 2.463 19.461 14.051 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.540 21.180 15.834 1.00 19.57 H new ATOM 0 HD12 LEU A 60 4.142 20.446 15.585 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.792 22.063 14.930 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.967 21.435 13.904 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.219 22.317 12.999 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.451 20.880 12.284 1.00 15.01 H new ATOM 936 N TYR A 61 4.721 17.431 11.461 1.00 11.12 N ATOM 937 CA TYR A 61 5.221 16.769 10.230 1.00 9.57 C ATOM 938 C TYR A 61 4.124 16.633 9.195 1.00 11.76 C ATOM 939 O TYR A 61 2.949 16.732 9.478 1.00 11.26 O ATOM 940 CB TYR A 61 5.763 15.383 10.560 1.00 9.42 C ATOM 941 CG TYR A 61 7.178 15.531 11.036 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.431 16.084 12.290 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.236 15.139 10.209 1.00 10.68 C ATOM 944 CE1 TYR A 61 8.745 16.248 12.726 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.552 15.299 10.644 1.00 13.03 C ATOM 946 CZ TYR A 61 9.805 15.855 11.902 1.00 11.06 C ATOM 947 OH TYR A 61 11.105 16.016 12.339 1.00 14.61 O ATOM 0 H TYR A 61 3.846 17.064 11.836 1.00 11.12 H new ATOM 0 HA TYR A 61 6.016 17.392 9.822 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.152 14.909 11.328 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.724 14.741 9.680 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.610 16.385 12.923 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.035 14.714 9.237 1.00 10.68 H new ATOM 0 HE1 TYR A 61 8.944 16.677 13.697 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.373 14.994 10.011 1.00 13.03 H new ATOM 0 HH TYR A 61 11.126 15.993 13.318 1.00 14.61 H new ATOM 957 N THR A 62 4.526 16.379 7.993 1.00 12.22 N ATOM 958 CA THR A 62 3.566 16.191 6.893 1.00 14.26 C ATOM 959 C THR A 62 4.176 15.165 5.964 1.00 15.40 C ATOM 960 O THR A 62 5.267 15.341 5.458 1.00 16.24 O ATOM 961 CB THR A 62 3.343 17.498 6.145 1.00 15.07 C ATOM 962 OG1 THR A 62 4.498 17.807 5.377 1.00 18.36 O ATOM 963 CG2 THR A 62 3.076 18.614 7.150 1.00 11.61 C ATOM 0 H THR A 62 5.506 16.292 7.722 1.00 12.22 H new ATOM 0 HA THR A 62 2.599 15.863 7.274 1.00 14.26 H new ATOM 0 HB THR A 62 2.486 17.399 5.479 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.878 16.981 5.011 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.916 19.552 6.618 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.189 18.372 7.735 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.933 18.716 7.816 1.00 11.61 H new ATOM 971 N VAL A 63 3.509 14.085 5.757 1.00 14.65 N ATOM 972 CA VAL A 63 4.089 13.046 4.881 1.00 15.17 C ATOM 973 C VAL A 63 4.564 13.702 3.590 1.00 14.24 C ATOM 974 O VAL A 63 4.276 14.851 3.320 1.00 19.13 O ATOM 975 CB VAL A 63 3.053 11.972 4.587 1.00 15.23 C ATOM 976 CG1 VAL A 63 3.752 10.757 3.985 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.359 11.565 5.894 1.00 18.64 C ATOM 0 H VAL A 63 2.593 13.872 6.151 1.00 14.65 H new ATOM 0 HA VAL A 63 4.935 12.571 5.378 1.00 15.17 H new ATOM 0 HB VAL A 63 2.312 12.355 3.886 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.016 9.982 3.771 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.253 11.046 3.061 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.488 10.373 4.692 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.616 10.795 5.687 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.099 11.176 6.593 1.00 18.64 H new ATOM 0 HG23 VAL A 63 1.869 12.435 6.332 1.00 18.64 H new ATOM 987 N HIS A 64 5.300 12.987 2.799 1.00 13.31 N ATOM 988 CA HIS A 64 5.811 13.569 1.529 1.00 10.78 C ATOM 989 C HIS A 64 5.621 12.554 0.401 1.00 14.19 C ATOM 990 O HIS A 64 6.080 11.429 0.484 1.00 11.59 O ATOM 991 CB HIS A 64 7.301 13.891 1.684 1.00 11.86 C ATOM 992 CG HIS A 64 7.699 14.962 0.704 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.047 15.140 -0.506 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.696 15.907 0.732 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.655 16.148 -1.153 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.667 16.653 -0.443 1.00 20.65 N ATOM 0 H HIS A 64 5.573 12.020 2.974 1.00 13.31 H new ATOM 0 HA HIS A 64 5.265 14.483 1.294 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.506 14.223 2.702 1.00 11.86 H new ATOM 0 HB3 HIS A 64 7.895 12.993 1.516 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.396 16.049 1.542 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.361 16.506 -2.129 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.286 17.420 -0.705 1.00 20.65 H new ATOM 1004 N LEU A 65 4.949 12.937 -0.653 1.00 12.93 N ATOM 1005 CA LEU A 65 4.734 11.994 -1.781 1.00 14.44 C ATOM 1006 C LEU A 65 6.068 11.722 -2.484 1.00 12.66 C ATOM 1007 O LEU A 65 6.154 10.898 -3.373 1.00 10.20 O ATOM 1008 CB LEU A 65 3.699 12.592 -2.753 1.00 14.94 C ATOM 1009 CG LEU A 65 4.372 13.389 -3.863 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.211 12.642 -5.189 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.722 14.767 -3.969 1.00 19.03 C ATOM 0 H LEU A 65 4.541 13.863 -0.778 1.00 12.93 H new ATOM 0 HA LEU A 65 4.348 11.045 -1.410 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.102 11.791 -3.189 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.013 13.238 -2.204 1.00 14.94 H new ATOM 0 HG LEU A 65 5.432 13.508 -3.637 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.691 13.209 -5.987 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.676 11.659 -5.112 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.151 12.525 -5.414 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.204 15.337 -4.763 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.662 14.653 -4.196 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.835 15.296 -3.023 1.00 19.03 H new ATOM 1023 N SER A 66 7.113 12.402 -2.086 1.00 13.51 N ATOM 1024 CA SER A 66 8.432 12.169 -2.727 1.00 10.39 C ATOM 1025 C SER A 66 8.769 10.686 -2.608 1.00 8.56 C ATOM 1026 O SER A 66 9.612 10.167 -3.313 1.00 11.70 O ATOM 1027 CB SER A 66 9.503 12.995 -2.014 1.00 12.88 C ATOM 1028 OG SER A 66 10.747 12.830 -2.684 1.00 14.72 O ATOM 0 H SER A 66 7.105 13.105 -1.347 1.00 13.51 H new ATOM 0 HA SER A 66 8.396 12.464 -3.776 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.220 14.047 -2.003 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.592 12.678 -0.975 1.00 12.88 H new ATOM 0 HG SER A 66 11.436 13.360 -2.230 1.00 14.72 H new ATOM 1034 N SER A 67 8.112 10.000 -1.711 1.00 7.98 N ATOM 1035 CA SER A 67 8.390 8.551 -1.534 1.00 8.20 C ATOM 1036 C SER A 67 7.305 7.717 -2.221 1.00 11.02 C ATOM 1037 O SER A 67 7.387 6.506 -2.276 1.00 11.45 O ATOM 1038 CB SER A 67 8.414 8.216 -0.048 1.00 8.01 C ATOM 1039 OG SER A 67 9.555 7.416 0.235 1.00 11.22 O ATOM 0 H SER A 67 7.395 10.383 -1.095 1.00 7.98 H new ATOM 0 HA SER A 67 9.356 8.320 -1.982 1.00 8.20 H new ATOM 0 HB2 SER A 67 8.442 9.132 0.543 1.00 8.01 H new ATOM 0 HB3 SER A 67 7.504 7.684 0.231 1.00 8.01 H new ATOM 0 HG SER A 67 9.274 6.491 0.396 1.00 11.22 H new ATOM 1045 N PHE A 68 6.282 8.345 -2.738 1.00 10.09 N ATOM 1046 CA PHE A 68 5.199 7.571 -3.404 1.00 11.79 C ATOM 1047 C PHE A 68 5.693 7.103 -4.771 1.00 12.69 C ATOM 1048 O PHE A 68 6.613 7.664 -5.332 1.00 14.25 O ATOM 1049 CB PHE A 68 3.961 8.462 -3.573 1.00 10.08 C ATOM 1050 CG PHE A 68 3.539 9.038 -2.236 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.242 8.728 -1.058 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.457 9.922 -2.186 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.856 9.303 0.157 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.078 10.500 -0.971 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.778 10.191 0.199 1.00 11.87 C ATOM 0 H PHE A 68 6.152 9.357 -2.727 1.00 10.09 H new ATOM 0 HA PHE A 68 4.933 6.706 -2.796 1.00 11.79 H new ATOM 0 HB2 PHE A 68 4.179 9.270 -4.272 1.00 10.08 H new ATOM 0 HB3 PHE A 68 3.143 7.882 -4.001 1.00 10.08 H new ATOM 0 HD1 PHE A 68 5.079 8.047 -1.092 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.913 10.159 -3.088 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.391 9.061 1.063 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.244 11.185 -0.936 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.485 10.639 1.137 1.00 11.87 H new ATOM 1065 N LYS A 69 5.099 6.077 -5.311 1.00 12.51 N ATOM 1066 CA LYS A 69 5.553 5.577 -6.639 1.00 15.38 C ATOM 1067 C LYS A 69 4.359 5.029 -7.422 1.00 15.02 C ATOM 1068 O LYS A 69 3.306 4.774 -6.872 1.00 15.36 O ATOM 1069 CB LYS A 69 6.586 4.462 -6.442 1.00 16.04 C ATOM 1070 CG LYS A 69 7.338 4.681 -5.126 1.00 20.35 C ATOM 1071 CD LYS A 69 8.363 3.563 -4.927 1.00 21.35 C ATOM 1072 CE LYS A 69 9.335 3.956 -3.813 1.00 30.24 C ATOM 1073 NZ LYS A 69 10.562 3.115 -3.900 1.00 32.70 N ATOM 0 H LYS A 69 4.322 5.564 -4.893 1.00 12.51 H new ATOM 0 HA LYS A 69 6.004 6.399 -7.195 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.090 3.491 -6.431 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.288 4.452 -7.276 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.839 5.649 -5.139 1.00 20.35 H new ATOM 0 HG3 LYS A 69 6.636 4.696 -4.293 1.00 20.35 H new ATOM 0 HD2 LYS A 69 7.857 2.632 -4.671 1.00 21.35 H new ATOM 0 HD3 LYS A 69 8.908 3.385 -5.854 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.598 5.010 -3.901 1.00 30.24 H new ATOM 0 HE3 LYS A 69 8.861 3.826 -2.840 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 11.221 3.384 -3.142 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 10.304 2.113 -3.796 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 11.018 3.261 -4.823 1.00 32.70 H new ATOM 1087 N VAL A 70 4.519 4.842 -8.703 1.00 13.65 N ATOM 1088 CA VAL A 70 3.398 4.306 -9.526 1.00 13.49 C ATOM 1089 C VAL A 70 3.753 2.896 -10.000 1.00 11.85 C ATOM 1090 O VAL A 70 4.648 2.706 -10.799 1.00 12.13 O ATOM 1091 CB VAL A 70 3.163 5.202 -10.743 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.665 5.262 -11.051 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.684 6.616 -10.465 1.00 15.63 C ATOM 0 H VAL A 70 5.379 5.037 -9.216 1.00 13.65 H new ATOM 0 HA VAL A 70 2.491 4.280 -8.922 1.00 13.49 H new ATOM 0 HB VAL A 70 3.697 4.788 -11.598 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.497 5.901 -11.918 1.00 14.02 H new ATOM 0 HG12 VAL A 70 1.297 4.258 -11.263 1.00 14.02 H new ATOM 0 HG13 VAL A 70 1.133 5.670 -10.192 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.512 7.245 -11.338 1.00 15.63 H new ATOM 0 HG22 VAL A 70 3.159 7.035 -9.606 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.752 6.575 -10.253 1.00 15.63 H new ATOM 1103 N GLY A 71 3.058 1.906 -9.513 1.00 11.15 N ATOM 1104 CA GLY A 71 3.357 0.509 -9.935 1.00 11.07 C ATOM 1105 C GLY A 71 2.491 0.145 -11.142 1.00 12.15 C ATOM 1106 O GLY A 71 1.746 0.960 -11.650 1.00 12.70 O ATOM 0 H GLY A 71 2.296 2.004 -8.842 1.00 11.15 H new ATOM 0 HA2 GLY A 71 4.413 0.412 -10.189 1.00 11.07 H new ATOM 0 HA3 GLY A 71 3.162 -0.180 -9.113 1.00 11.07 H new ATOM 1110 N GLN A 72 2.580 -1.072 -11.608 1.00 15.78 N ATOM 1111 CA GLN A 72 1.760 -1.478 -12.781 1.00 19.42 C ATOM 1112 C GLN A 72 0.426 -2.046 -12.295 1.00 16.97 C ATOM 1113 O GLN A 72 -0.238 -2.794 -12.984 1.00 20.46 O ATOM 1114 CB GLN A 72 2.516 -2.534 -13.592 1.00 22.64 C ATOM 1115 CG GLN A 72 1.623 -3.058 -14.718 1.00 25.29 C ATOM 1116 CD GLN A 72 1.169 -4.483 -14.394 1.00 26.29 C ATOM 1117 OE1 GLN A 72 0.925 -5.271 -15.285 1.00 26.22 O ATOM 1118 NE2 GLN A 72 1.046 -4.852 -13.147 1.00 25.15 N ATOM 0 H GLN A 72 3.184 -1.800 -11.227 1.00 15.78 H new ATOM 0 HA GLN A 72 1.570 -0.612 -13.415 1.00 19.42 H new ATOM 0 HB2 GLN A 72 3.427 -2.103 -14.008 1.00 22.64 H new ATOM 0 HB3 GLN A 72 2.819 -3.356 -12.943 1.00 22.64 H new ATOM 0 HG2 GLN A 72 0.756 -2.409 -14.840 1.00 25.29 H new ATOM 0 HG3 GLN A 72 2.167 -3.045 -15.663 1.00 25.29 H new ATOM 0 HE21 GLN A 72 1.251 -4.191 -12.397 1.00 25.15 H new ATOM 0 HE22 GLN A 72 0.745 -5.801 -12.923 1.00 25.15 H new ATOM 1127 N PHE A 73 0.032 -1.688 -11.110 1.00 14.56 N ATOM 1128 CA PHE A 73 -1.258 -2.191 -10.560 1.00 14.60 C ATOM 1129 C PHE A 73 -2.385 -1.237 -10.960 1.00 15.63 C ATOM 1130 O PHE A 73 -3.551 -1.572 -10.888 1.00 17.80 O ATOM 1131 CB PHE A 73 -1.169 -2.261 -9.034 1.00 12.63 C ATOM 1132 CG PHE A 73 -1.139 -3.704 -8.592 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -2.331 -4.432 -8.498 1.00 16.27 C ATOM 1134 CD2 PHE A 73 0.081 -4.313 -8.274 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -2.303 -5.770 -8.086 1.00 20.44 C ATOM 1136 CE2 PHE A 73 0.109 -5.651 -7.863 1.00 18.68 C ATOM 1137 CZ PHE A 73 -1.083 -6.379 -7.768 1.00 17.88 C ATOM 0 H PHE A 73 0.550 -1.064 -10.492 1.00 14.56 H new ATOM 0 HA PHE A 73 -1.461 -3.185 -10.958 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -0.273 -1.746 -8.688 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -2.022 -1.751 -8.587 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -3.272 -3.962 -8.743 1.00 16.27 H new ATOM 0 HD2 PHE A 73 1.000 -3.751 -8.346 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -3.222 -6.332 -8.014 1.00 20.44 H new ATOM 0 HE2 PHE A 73 1.050 -6.122 -7.619 1.00 18.68 H new ATOM 0 HZ PHE A 73 -1.062 -7.411 -7.449 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.046 -0.049 -11.381 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.096 0.928 -11.785 1.00 13.44 C ATOM 1149 C GLY A 74 -3.515 1.764 -10.573 1.00 10.42 C ATOM 1150 O GLY A 74 -4.629 2.241 -10.492 1.00 13.62 O ATOM 0 H GLY A 74 -1.086 0.287 -11.463 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.718 1.578 -12.574 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.959 0.402 -12.192 1.00 13.44 H new ATOM 1154 N SER A 75 -2.631 1.947 -9.630 1.00 12.64 N ATOM 1155 CA SER A 75 -2.982 2.754 -8.427 1.00 12.47 C ATOM 1156 C SER A 75 -1.700 3.214 -7.729 1.00 12.47 C ATOM 1157 O SER A 75 -0.856 2.416 -7.374 1.00 11.32 O ATOM 1158 CB SER A 75 -3.808 1.900 -7.465 1.00 11.21 C ATOM 1159 OG SER A 75 -5.083 1.644 -8.040 1.00 18.27 O ATOM 0 H SER A 75 -1.682 1.573 -9.641 1.00 12.64 H new ATOM 0 HA SER A 75 -3.563 3.625 -8.730 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.293 0.961 -7.261 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.923 2.415 -6.511 1.00 11.21 H new ATOM 0 HG SER A 75 -5.177 2.158 -8.869 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.548 4.494 -7.528 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.320 5.001 -6.852 1.00 12.18 C ATOM 1167 C LEU A 76 -0.045 4.160 -5.604 1.00 12.07 C ATOM 1168 O LEU A 76 -0.857 3.353 -5.199 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.525 6.463 -6.450 1.00 11.99 C ATOM 1170 CG LEU A 76 0.676 7.292 -6.911 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.616 7.477 -8.429 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.642 8.661 -6.226 1.00 7.80 C ATOM 0 H LEU A 76 -2.220 5.210 -7.802 1.00 12.43 H new ATOM 0 HA LEU A 76 0.528 4.929 -7.533 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.441 6.849 -6.898 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -0.641 6.541 -5.369 1.00 11.99 H new ATOM 0 HG LEU A 76 1.599 6.776 -6.646 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.471 8.067 -8.758 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.640 6.502 -8.916 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.306 7.994 -8.696 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.497 9.253 -6.553 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.280 9.178 -6.491 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.685 8.528 -5.145 1.00 7.80 H new ATOM 1184 N MET A 77 1.092 4.342 -4.990 1.00 14.08 N ATOM 1185 CA MET A 77 1.412 3.549 -3.770 1.00 14.12 C ATOM 1186 C MET A 77 2.552 4.225 -3.005 1.00 11.37 C ATOM 1187 O MET A 77 3.671 4.303 -3.473 1.00 11.44 O ATOM 1188 CB MET A 77 1.833 2.135 -4.173 1.00 16.48 C ATOM 1189 CG MET A 77 0.585 1.286 -4.421 1.00 24.75 C ATOM 1190 SD MET A 77 0.819 -0.358 -3.701 1.00 35.11 S ATOM 1191 CE MET A 77 0.521 -1.312 -5.210 1.00 33.86 C ATOM 0 H MET A 77 1.812 5.004 -5.280 1.00 14.08 H new ATOM 0 HA MET A 77 0.530 3.495 -3.132 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.448 2.169 -5.072 1.00 16.48 H new ATOM 0 HB3 MET A 77 2.441 1.687 -3.387 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.288 1.767 -3.980 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.396 1.202 -5.491 1.00 24.75 H new ATOM 0 HE1 MET A 77 0.616 -2.376 -4.993 1.00 33.86 H new ATOM 0 HE2 MET A 77 -0.484 -1.106 -5.578 1.00 33.86 H new ATOM 0 HE3 MET A 77 1.251 -1.030 -5.969 1.00 33.86 H new ATOM 1201 N ILE A 78 2.268 4.719 -1.834 1.00 11.78 N ATOM 1202 CA ILE A 78 3.321 5.401 -1.027 1.00 11.62 C ATOM 1203 C ILE A 78 4.626 4.606 -1.083 1.00 11.45 C ATOM 1204 O ILE A 78 5.702 5.166 -1.158 1.00 12.59 O ATOM 1205 CB ILE A 78 2.844 5.527 0.429 1.00 12.05 C ATOM 1206 CG1 ILE A 78 1.948 6.762 0.557 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.039 5.672 1.378 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.766 6.446 1.477 1.00 13.67 C ATOM 0 H ILE A 78 1.347 4.680 -1.397 1.00 11.78 H new ATOM 0 HA ILE A 78 3.502 6.395 -1.437 1.00 11.62 H new ATOM 0 HB ILE A 78 2.290 4.628 0.697 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.520 7.599 0.958 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.586 7.065 -0.426 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.681 5.760 2.404 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.681 4.795 1.292 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.607 6.564 1.114 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.129 7.326 1.567 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.189 5.622 1.058 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.137 6.164 2.462 1.00 13.67 H new ATOM 1220 N ASP A 79 4.542 3.312 -1.028 1.00 10.05 N ATOM 1221 CA ASP A 79 5.785 2.489 -1.057 1.00 14.79 C ATOM 1222 C ASP A 79 6.795 3.106 -0.090 1.00 15.20 C ATOM 1223 O ASP A 79 7.901 3.444 -0.460 1.00 18.10 O ATOM 1224 CB ASP A 79 6.362 2.493 -2.467 1.00 12.21 C ATOM 1225 CG ASP A 79 7.052 1.156 -2.745 1.00 17.52 C ATOM 1226 OD1 ASP A 79 8.166 0.978 -2.279 1.00 21.87 O ATOM 1227 OD2 ASP A 79 6.456 0.333 -3.421 1.00 24.06 O ATOM 0 H ASP A 79 3.671 2.785 -0.964 1.00 10.05 H new ATOM 0 HA ASP A 79 5.564 1.462 -0.764 1.00 14.79 H new ATOM 0 HB2 ASP A 79 5.568 2.662 -3.195 1.00 12.21 H new ATOM 0 HB3 ASP A 79 7.074 3.311 -2.577 1.00 12.21 H new ATOM 1232 N ARG A 80 6.399 3.274 1.140 1.00 17.08 N ATOM 1233 CA ARG A 80 7.295 3.892 2.162 1.00 17.14 C ATOM 1234 C ARG A 80 7.261 5.408 1.989 1.00 14.98 C ATOM 1235 O ARG A 80 8.044 5.979 1.260 1.00 16.47 O ATOM 1236 CB ARG A 80 8.730 3.386 1.998 1.00 17.78 C ATOM 1237 CG ARG A 80 9.548 3.799 3.222 1.00 22.76 C ATOM 1238 CD ARG A 80 9.741 2.596 4.144 1.00 28.43 C ATOM 1239 NE ARG A 80 8.915 2.777 5.380 1.00 33.10 N ATOM 1240 CZ ARG A 80 8.943 3.897 6.058 1.00 30.84 C ATOM 1241 NH1 ARG A 80 9.832 4.819 5.793 1.00 33.12 N ATOM 1242 NH2 ARG A 80 8.111 4.070 7.049 1.00 35.04 N ATOM 0 H ARG A 80 5.478 3.006 1.488 1.00 17.08 H new ATOM 0 HA ARG A 80 6.948 3.618 3.158 1.00 17.14 H new ATOM 0 HB2 ARG A 80 8.736 2.301 1.890 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.173 3.799 1.092 1.00 17.78 H new ATOM 0 HG2 ARG A 80 10.517 4.188 2.909 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.040 4.601 3.757 1.00 22.76 H new ATOM 0 HD2 ARG A 80 9.450 1.680 3.630 1.00 28.43 H new ATOM 0 HD3 ARG A 80 10.793 2.492 4.409 1.00 28.43 H new ATOM 0 HE ARG A 80 8.319 2.013 5.700 1.00 33.10 H new ATOM 0 HH11 ARG A 80 10.515 4.670 5.050 1.00 33.12 H new ATOM 0 HH12 ARG A 80 9.842 5.687 6.329 1.00 33.12 H new ATOM 0 HH21 ARG A 80 7.445 3.336 7.290 1.00 35.04 H new ATOM 0 HH22 ARG A 80 8.126 4.940 7.582 1.00 35.04 H new ATOM 1256 N LEU A 81 6.337 6.055 2.642 1.00 11.03 N ATOM 1257 CA LEU A 81 6.205 7.528 2.514 1.00 11.27 C ATOM 1258 C LEU A 81 7.431 8.248 3.087 1.00 15.61 C ATOM 1259 O LEU A 81 8.148 7.727 3.918 1.00 18.56 O ATOM 1260 CB LEU A 81 4.953 7.984 3.261 1.00 13.62 C ATOM 1261 CG LEU A 81 5.226 8.035 4.764 1.00 12.84 C ATOM 1262 CD1 LEU A 81 3.920 8.340 5.503 1.00 11.44 C ATOM 1263 CD2 LEU A 81 5.769 6.679 5.233 1.00 18.72 C ATOM 0 H LEU A 81 5.660 5.617 3.267 1.00 11.03 H new ATOM 0 HA LEU A 81 6.128 7.778 1.456 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.647 8.968 2.906 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.129 7.300 3.056 1.00 13.62 H new ATOM 0 HG LEU A 81 5.960 8.813 4.975 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.109 8.377 6.576 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.529 9.301 5.170 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.191 7.558 5.290 1.00 11.44 H new ATOM 0 HD21 LEU A 81 5.964 6.716 6.305 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.035 5.901 5.024 1.00 18.72 H new ATOM 0 HD23 LEU A 81 6.695 6.455 4.704 1.00 18.72 H new ATOM 1275 N ARG A 82 7.654 9.457 2.656 1.00 13.37 N ATOM 1276 CA ARG A 82 8.805 10.247 3.177 1.00 12.72 C ATOM 1277 C ARG A 82 8.256 11.333 4.105 1.00 13.33 C ATOM 1278 O ARG A 82 7.723 12.329 3.661 1.00 13.27 O ATOM 1279 CB ARG A 82 9.553 10.894 2.009 1.00 13.85 C ATOM 1280 CG ARG A 82 10.509 11.963 2.540 1.00 16.22 C ATOM 1281 CD ARG A 82 11.687 12.118 1.576 1.00 16.62 C ATOM 1282 NE ARG A 82 12.039 13.560 1.448 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.184 13.912 0.924 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.026 13.002 0.514 1.00 20.55 N ATOM 1285 NH2 ARG A 82 13.487 15.176 0.811 1.00 16.89 N ATOM 0 H ARG A 82 7.084 9.936 1.959 1.00 13.37 H new ATOM 0 HA ARG A 82 9.494 9.601 3.720 1.00 12.72 H new ATOM 0 HB2 ARG A 82 10.109 10.137 1.456 1.00 13.85 H new ATOM 0 HB3 ARG A 82 8.843 11.340 1.312 1.00 13.85 H new ATOM 0 HG2 ARG A 82 9.986 12.913 2.647 1.00 16.22 H new ATOM 0 HG3 ARG A 82 10.870 11.684 3.530 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.546 11.554 1.941 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.428 11.708 0.600 1.00 16.62 H new ATOM 0 HE ARG A 82 11.385 14.274 1.770 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.791 12.013 0.602 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.918 13.280 0.106 1.00 20.55 H new ATOM 0 HH21 ARG A 82 12.831 15.888 1.131 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.380 15.452 0.402 1.00 16.89 H new ATOM 1299 N LEU A 83 8.350 11.138 5.391 1.00 13.53 N ATOM 1300 CA LEU A 83 7.796 12.152 6.336 1.00 13.86 C ATOM 1301 C LEU A 83 8.694 13.385 6.412 1.00 13.02 C ATOM 1302 O LEU A 83 9.901 13.308 6.299 1.00 14.40 O ATOM 1303 CB LEU A 83 7.677 11.547 7.733 1.00 9.93 C ATOM 1304 CG LEU A 83 6.250 11.712 8.250 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.221 11.396 9.749 1.00 8.88 C ATOM 1306 CD2 LEU A 83 5.794 13.157 8.029 1.00 10.58 C ATOM 0 H LEU A 83 8.784 10.325 5.828 1.00 13.53 H new ATOM 0 HA LEU A 83 6.815 12.451 5.967 1.00 13.86 H new ATOM 0 HB2 LEU A 83 7.943 10.490 7.705 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.378 12.035 8.411 1.00 9.93 H new ATOM 0 HG LEU A 83 5.584 11.034 7.716 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.205 11.512 10.126 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.554 10.371 9.911 1.00 8.88 H new ATOM 0 HD13 LEU A 83 6.884 12.080 10.278 1.00 8.88 H new ATOM 0 HD21 LEU A 83 4.775 13.277 8.397 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.457 13.834 8.568 1.00 10.58 H new ATOM 0 HD23 LEU A 83 5.825 13.389 6.965 1.00 10.58 H new ATOM 1318 N VAL A 84 8.095 14.525 6.616 1.00 11.81 N ATOM 1319 CA VAL A 84 8.866 15.783 6.723 1.00 12.86 C ATOM 1320 C VAL A 84 8.129 16.712 7.695 1.00 14.98 C ATOM 1321 O VAL A 84 6.933 16.591 7.864 1.00 13.59 O ATOM 1322 CB VAL A 84 8.933 16.430 5.343 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.638 15.484 4.370 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.513 16.713 4.845 1.00 17.34 C ATOM 0 H VAL A 84 7.086 14.634 6.714 1.00 11.81 H new ATOM 0 HA VAL A 84 9.877 15.594 7.085 1.00 12.86 H new ATOM 0 HB VAL A 84 9.489 17.365 5.405 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.686 15.946 3.384 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.648 15.283 4.726 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.083 14.548 4.306 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.559 17.175 3.859 1.00 17.34 H new ATOM 0 HG22 VAL A 84 6.956 15.778 4.782 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.012 17.387 5.539 1.00 17.34 H new ATOM 1334 N PRO A 85 8.851 17.621 8.294 1.00 18.65 N ATOM 1335 CA PRO A 85 8.266 18.588 9.237 1.00 22.41 C ATOM 1336 C PRO A 85 7.275 19.507 8.510 1.00 25.70 C ATOM 1337 O PRO A 85 7.467 19.856 7.362 1.00 22.08 O ATOM 1338 CB PRO A 85 9.476 19.339 9.793 1.00 21.19 C ATOM 1339 CG PRO A 85 10.610 19.118 8.780 1.00 18.95 C ATOM 1340 CD PRO A 85 10.296 17.785 8.079 1.00 20.63 C ATOM 0 HA PRO A 85 7.687 18.126 10.037 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.257 20.400 9.909 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.752 18.961 10.777 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.656 19.936 8.061 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.578 19.078 9.280 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.543 17.821 7.018 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.863 16.960 8.511 1.00 20.63 H new ATOM 1348 N ALA A 86 6.206 19.882 9.163 1.00 31.74 N ATOM 1349 CA ALA A 86 5.189 20.754 8.507 1.00 39.94 C ATOM 1350 C ALA A 86 5.741 22.174 8.377 1.00 46.96 C ATOM 1351 O ALA A 86 6.205 22.761 9.334 1.00 49.29 O ATOM 1352 CB ALA A 86 3.912 20.769 9.354 1.00 39.70 C ATOM 0 H ALA A 86 5.994 19.620 10.126 1.00 31.74 H new ATOM 0 HA ALA A 86 4.960 20.367 7.514 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.167 21.406 8.877 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.521 19.755 9.441 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.139 21.157 10.347 1.00 39.70 H new ATOM 1358 N LYS A 87 5.695 22.728 7.197 1.00 51.78 N ATOM 1359 CA LYS A 87 6.218 24.110 6.996 1.00 55.12 C ATOM 1360 C LYS A 87 5.764 25.001 8.154 1.00 55.82 C ATOM 1361 O LYS A 87 6.574 25.778 8.632 1.00 58.05 O ATOM 1362 CB LYS A 87 5.681 24.676 5.678 1.00 52.96 C ATOM 1363 CG LYS A 87 6.429 24.041 4.503 1.00 55.49 C ATOM 1364 CD LYS A 87 7.688 24.854 4.198 1.00 56.64 C ATOM 1365 CE LYS A 87 8.362 24.299 2.941 1.00 58.91 C ATOM 1366 NZ LYS A 87 8.874 22.927 3.216 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.613 24.889 8.544 1.00 57.66 O ATOM 0 H LYS A 87 5.317 22.283 6.361 1.00 51.78 H new ATOM 0 HA LYS A 87 7.307 24.083 6.962 1.00 55.12 H new ATOM 0 HB2 LYS A 87 4.613 24.476 5.593 1.00 52.96 H new ATOM 0 HB3 LYS A 87 5.805 25.759 5.658 1.00 52.96 H new ATOM 0 HG2 LYS A 87 6.697 23.012 4.743 1.00 55.49 H new ATOM 0 HG3 LYS A 87 5.785 24.006 3.625 1.00 55.49 H new ATOM 0 HD2 LYS A 87 7.430 25.903 4.052 1.00 56.64 H new ATOM 0 HD3 LYS A 87 8.376 24.809 5.042 1.00 56.64 H new ATOM 0 HE2 LYS A 87 7.651 24.275 2.115 1.00 58.91 H new ATOM 0 HE3 LYS A 87 9.181 24.950 2.637 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 9.542 22.650 2.469 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 9.359 22.915 4.136 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 8.079 22.257 3.235 1.00 58.16 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 2.710 18.617 -4.078 1.00 42.32 N ATOM 1383 CA MET B 1 1.715 17.562 -3.737 1.00 40.89 C ATOM 1384 C MET B 1 1.703 16.501 -4.835 1.00 34.75 C ATOM 1385 O MET B 1 2.196 16.715 -5.924 1.00 33.97 O ATOM 1386 CB MET B 1 0.317 18.186 -3.625 1.00 48.45 C ATOM 1387 CG MET B 1 -0.194 18.572 -5.020 1.00 56.13 C ATOM 1388 SD MET B 1 0.619 20.097 -5.558 1.00 64.91 S ATOM 1389 CE MET B 1 -0.330 21.238 -4.523 1.00 63.43 C ATOM 0 H1 MET B 1 2.945 19.162 -3.224 1.00 42.32 H new ATOM 0 H2 MET B 1 3.572 18.173 -4.453 1.00 42.32 H new ATOM 0 H3 MET B 1 2.309 19.254 -4.796 1.00 42.32 H new ATOM 0 HA MET B 1 1.988 17.105 -2.785 1.00 40.89 H new ATOM 0 HB2 MET B 1 -0.370 17.480 -3.159 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.352 19.067 -2.984 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.009 17.769 -5.729 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.275 18.712 -4.998 1.00 56.13 H new ATOM 0 HE1 MET B 1 -0.855 21.953 -5.156 1.00 63.43 H new ATOM 0 HE2 MET B 1 -1.054 20.677 -3.932 1.00 63.43 H new ATOM 0 HE3 MET B 1 0.346 21.772 -3.856 1.00 63.43 H new ATOM 1401 N ILE B 2 1.127 15.363 -4.563 1.00 28.59 N ATOM 1402 CA ILE B 2 1.063 14.296 -5.598 1.00 24.58 C ATOM 1403 C ILE B 2 0.324 14.864 -6.812 1.00 19.29 C ATOM 1404 O ILE B 2 -0.877 14.742 -6.936 1.00 19.53 O ATOM 1405 CB ILE B 2 0.304 13.097 -5.030 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.802 12.802 -3.619 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.541 11.868 -5.900 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.389 12.763 -2.669 1.00 33.80 C ATOM 0 H ILE B 2 0.698 15.127 -3.668 1.00 28.59 H new ATOM 0 HA ILE B 2 2.062 13.972 -5.890 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.760 13.331 -5.011 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.331 11.849 -3.598 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.511 13.567 -3.303 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.004 11.019 -5.487 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.190 12.066 -6.913 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.606 11.639 -5.923 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.041 12.552 -1.658 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -0.898 13.727 -2.684 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.081 11.982 -2.985 1.00 33.80 H new ATOM 1420 N LYS B 3 1.035 15.524 -7.685 1.00 18.14 N ATOM 1421 CA LYS B 3 0.385 16.153 -8.872 1.00 16.66 C ATOM 1422 C LYS B 3 -0.242 15.108 -9.788 1.00 14.94 C ATOM 1423 O LYS B 3 0.119 13.950 -9.778 1.00 13.94 O ATOM 1424 CB LYS B 3 1.424 16.957 -9.655 1.00 16.94 C ATOM 1425 CG LYS B 3 1.417 18.410 -9.172 1.00 17.85 C ATOM 1426 CD LYS B 3 1.905 19.324 -10.297 1.00 19.63 C ATOM 1427 CE LYS B 3 1.366 20.739 -10.077 1.00 26.28 C ATOM 1428 NZ LYS B 3 1.435 21.500 -11.357 1.00 32.72 N ATOM 0 H LYS B 3 2.045 15.656 -7.627 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.409 16.809 -8.514 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.414 16.522 -9.518 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.202 16.916 -10.721 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.411 18.698 -8.866 1.00 17.85 H new ATOM 0 HG3 LYS B 3 2.059 18.517 -8.298 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.995 19.338 -10.321 1.00 19.63 H new ATOM 0 HD3 LYS B 3 1.570 18.942 -11.261 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.336 20.697 -9.721 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.948 21.246 -9.308 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 1.069 22.462 -11.209 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 2.423 21.551 -11.678 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 0.861 21.018 -12.079 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.189 15.532 -10.583 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.871 14.598 -11.515 1.00 12.99 C ATOM 1444 C VAL B 4 -2.543 15.391 -12.640 1.00 14.26 C ATOM 1445 O VAL B 4 -2.676 16.597 -12.577 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.932 13.804 -10.749 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.614 12.805 -11.687 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.281 13.053 -9.585 1.00 10.41 C ATOM 0 H VAL B 4 -1.519 16.496 -10.624 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.138 13.914 -11.944 1.00 12.99 H new ATOM 0 HB VAL B 4 -3.678 14.496 -10.358 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.368 12.244 -11.135 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.090 13.343 -12.507 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -2.870 12.116 -12.088 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.042 12.490 -9.044 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.527 12.366 -9.971 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -1.809 13.767 -8.910 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.963 14.710 -13.667 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.629 15.383 -14.816 1.00 10.51 C ATOM 1460 C GLU B 5 -4.530 14.379 -15.515 1.00 10.00 C ATOM 1461 O GLU B 5 -4.077 13.480 -16.190 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.573 15.891 -15.793 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.033 17.221 -15.281 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.018 17.785 -16.278 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.670 17.074 -17.206 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -0.606 18.919 -16.095 1.00 19.38 O ATOM 0 H GLU B 5 -2.872 13.698 -13.761 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.220 16.227 -14.460 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.765 15.166 -15.886 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.006 16.016 -16.786 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -2.851 17.927 -15.142 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.563 17.083 -14.308 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.806 14.520 -15.356 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.727 13.559 -16.024 1.00 10.60 C ATOM 1475 C ILE B 6 -6.769 13.893 -17.524 1.00 10.16 C ATOM 1476 O ILE B 6 -7.325 14.893 -17.935 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.125 13.626 -15.372 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.208 12.559 -14.277 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.220 13.352 -16.401 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -7.911 13.186 -12.914 1.00 13.81 C ATOM 0 H ILE B 6 -6.254 15.248 -14.800 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.372 12.535 -15.905 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.271 14.624 -14.959 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.200 12.108 -14.271 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.496 11.759 -14.482 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.195 13.405 -15.917 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.168 14.097 -17.195 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.079 12.358 -16.826 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -7.972 12.421 -12.140 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -6.909 13.615 -12.922 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.640 13.970 -12.707 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.164 13.063 -18.339 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.137 13.320 -19.807 1.00 11.59 C ATOM 1494 C LYS B 7 -7.531 13.730 -20.292 1.00 12.98 C ATOM 1495 O LYS B 7 -8.490 13.660 -19.550 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.696 12.040 -20.524 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.246 12.174 -21.006 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.390 12.844 -19.932 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.033 14.260 -20.372 1.00 19.19 C ATOM 1500 NZ LYS B 7 -1.844 14.219 -21.269 1.00 25.43 N ATOM 0 H LYS B 7 -5.685 12.212 -18.044 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.438 14.128 -20.025 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.785 11.188 -19.850 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.352 11.845 -21.372 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.841 11.190 -21.241 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.214 12.760 -21.925 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -3.931 12.872 -18.986 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.482 12.265 -19.763 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -3.877 14.714 -20.891 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.823 14.880 -19.501 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -1.602 15.185 -21.568 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -1.039 13.802 -20.759 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -2.060 13.641 -22.106 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.598 14.143 -21.534 1.00 13.56 N ATOM 1515 CA PRO B 8 -8.860 14.570 -22.161 1.00 11.93 C ATOM 1516 C PRO B 8 -9.696 13.345 -22.522 1.00 10.20 C ATOM 1517 O PRO B 8 -10.907 13.400 -22.600 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.405 15.325 -23.414 1.00 12.78 C ATOM 1519 CG PRO B 8 -6.979 14.816 -23.734 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.423 14.219 -22.427 1.00 13.61 C ATOM 0 HA PRO B 8 -9.484 15.187 -21.514 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.081 15.137 -24.248 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.404 16.401 -23.241 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.003 14.065 -24.524 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.347 15.630 -24.088 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -5.985 13.235 -22.593 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.641 14.848 -22.003 1.00 13.61 H new ATOM 1528 N SER B 9 -9.049 12.237 -22.728 1.00 10.65 N ATOM 1529 CA SER B 9 -9.785 10.990 -23.068 1.00 10.83 C ATOM 1530 C SER B 9 -9.989 10.170 -21.792 1.00 10.94 C ATOM 1531 O SER B 9 -10.434 9.040 -21.831 1.00 13.16 O ATOM 1532 CB SER B 9 -8.974 10.176 -24.078 1.00 13.01 C ATOM 1533 OG SER B 9 -9.620 10.222 -25.344 1.00 15.52 O ATOM 0 H SER B 9 -8.035 12.139 -22.675 1.00 10.65 H new ATOM 0 HA SER B 9 -10.752 11.239 -23.504 1.00 10.83 H new ATOM 0 HB2 SER B 9 -7.963 10.576 -24.158 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.882 9.144 -23.741 1.00 13.01 H new ATOM 0 HG SER B 9 -9.102 9.703 -25.994 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.665 10.733 -20.657 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.838 9.992 -19.378 1.00 11.55 C ATOM 1541 C GLN B 10 -10.777 10.773 -18.457 1.00 13.72 C ATOM 1542 O GLN B 10 -10.628 10.759 -17.253 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.482 9.836 -18.694 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.449 9.391 -19.723 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.729 7.944 -20.137 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.858 7.498 -20.096 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.743 7.188 -20.537 1.00 4.80 N ATOM 0 H GLN B 10 -9.288 11.676 -20.563 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.262 9.009 -19.585 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.179 10.780 -18.242 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.549 9.104 -17.889 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.485 10.043 -20.596 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.446 9.473 -19.305 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -5.795 7.562 -20.572 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -6.921 6.223 -20.815 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.733 11.468 -19.011 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.664 12.261 -18.156 1.00 18.95 C ATOM 1558 C ALA B 11 -13.962 11.484 -17.920 1.00 20.75 C ATOM 1559 O ALA B 11 -14.934 12.022 -17.428 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.983 13.587 -18.849 1.00 17.72 C ATOM 0 H ALA B 11 -11.910 11.522 -20.014 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.187 12.451 -17.194 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.663 14.168 -18.227 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.061 14.149 -19.002 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.452 13.390 -19.813 1.00 17.72 H new ATOM 1566 N GLN B 12 -13.990 10.228 -18.264 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.230 9.432 -18.054 1.00 25.43 C ATOM 1568 C GLN B 12 -14.877 8.040 -17.533 1.00 22.80 C ATOM 1569 O GLN B 12 -13.942 7.412 -17.989 1.00 20.93 O ATOM 1570 CB GLN B 12 -15.978 9.301 -19.376 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.918 10.490 -19.533 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.613 10.419 -20.894 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.793 10.690 -21.002 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -16.927 10.064 -21.945 1.00 47.90 N ATOM 0 H GLN B 12 -13.210 9.719 -18.680 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.859 9.939 -17.322 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.272 9.266 -20.206 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.543 8.369 -19.399 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.660 10.488 -18.734 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.359 11.422 -19.447 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -15.937 9.837 -21.855 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -17.381 10.014 -22.857 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.622 7.554 -16.581 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.339 6.206 -16.029 1.00 20.51 C ATOM 1585 C PHE B 13 -16.083 5.150 -16.841 1.00 18.83 C ATOM 1586 O PHE B 13 -16.894 5.460 -17.692 1.00 18.83 O ATOM 1587 CB PHE B 13 -15.832 6.148 -14.589 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.279 6.579 -14.565 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.269 5.733 -15.078 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.630 7.829 -14.039 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.609 6.136 -15.062 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -18.969 8.231 -14.025 1.00 14.07 C ATOM 1593 CZ PHE B 13 -19.958 7.385 -14.536 1.00 18.48 C ATOM 0 H PHE B 13 -16.417 8.036 -16.162 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.267 6.015 -16.073 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.730 5.137 -14.193 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.231 6.800 -13.955 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -17.999 4.770 -15.486 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -16.866 8.482 -13.644 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.374 5.483 -15.456 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.239 9.195 -13.620 1.00 14.07 H new ATOM 0 HZ PHE B 13 -20.992 7.696 -14.525 1.00 18.48 H new ATOM 1603 N THR B 14 -15.830 3.904 -16.566 1.00 14.89 N ATOM 1604 CA THR B 14 -16.538 2.822 -17.297 1.00 13.37 C ATOM 1605 C THR B 14 -17.086 1.827 -16.278 1.00 11.97 C ATOM 1606 O THR B 14 -16.690 1.823 -15.129 1.00 10.76 O ATOM 1607 CB THR B 14 -15.571 2.107 -18.244 1.00 13.68 C ATOM 1608 OG1 THR B 14 -16.272 1.102 -18.963 1.00 13.48 O ATOM 1609 CG2 THR B 14 -14.441 1.465 -17.438 1.00 9.24 C ATOM 0 H THR B 14 -15.161 3.588 -15.864 1.00 14.89 H new ATOM 0 HA THR B 14 -17.352 3.246 -17.885 1.00 13.37 H new ATOM 0 HB THR B 14 -15.149 2.829 -18.943 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.655 0.644 -19.571 1.00 13.48 H new ATOM 0 HG21 THR B 14 -13.754 0.957 -18.115 1.00 9.24 H new ATOM 0 HG22 THR B 14 -13.903 2.237 -16.887 1.00 9.24 H new ATOM 0 HG23 THR B 14 -14.859 0.743 -16.736 1.00 9.24 H new ATOM 1617 N THR B 15 -17.995 0.988 -16.678 1.00 13.20 N ATOM 1618 CA THR B 15 -18.561 0.005 -15.716 1.00 12.54 C ATOM 1619 C THR B 15 -17.728 -1.278 -15.743 1.00 14.34 C ATOM 1620 O THR B 15 -17.708 -1.998 -16.721 1.00 17.35 O ATOM 1621 CB THR B 15 -20.006 -0.316 -16.104 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.519 0.729 -16.918 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.856 -0.446 -14.841 1.00 8.30 C ATOM 0 H THR B 15 -18.370 0.939 -17.625 1.00 13.20 H new ATOM 0 HA THR B 15 -18.540 0.429 -14.712 1.00 12.54 H new ATOM 0 HB THR B 15 -20.035 -1.255 -16.657 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.444 0.524 -17.169 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.885 -0.675 -15.117 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.461 -1.248 -14.217 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.829 0.492 -14.286 1.00 8.30 H new ATOM 1631 N ARG B 16 -17.042 -1.568 -14.673 1.00 15.28 N ATOM 1632 CA ARG B 16 -16.212 -2.805 -14.631 1.00 15.21 C ATOM 1633 C ARG B 16 -16.780 -3.755 -13.576 1.00 16.91 C ATOM 1634 O ARG B 16 -17.158 -3.345 -12.497 1.00 17.29 O ATOM 1635 CB ARG B 16 -14.771 -2.441 -14.267 1.00 15.77 C ATOM 1636 CG ARG B 16 -13.885 -2.552 -15.510 1.00 21.61 C ATOM 1637 CD ARG B 16 -13.979 -3.968 -16.082 1.00 24.15 C ATOM 1638 NE ARG B 16 -12.704 -4.694 -15.822 1.00 30.82 N ATOM 1639 CZ ARG B 16 -12.647 -5.992 -15.958 1.00 29.13 C ATOM 1640 NH1 ARG B 16 -13.705 -6.661 -16.329 1.00 34.38 N ATOM 1641 NH2 ARG B 16 -11.528 -6.622 -15.725 1.00 25.71 N ATOM 0 H ARG B 16 -17.020 -1.002 -13.825 1.00 15.28 H new ATOM 0 HA ARG B 16 -16.226 -3.290 -15.607 1.00 15.21 H new ATOM 0 HB2 ARG B 16 -14.731 -1.427 -13.868 1.00 15.77 H new ATOM 0 HB3 ARG B 16 -14.403 -3.106 -13.485 1.00 15.77 H new ATOM 0 HG2 ARG B 16 -14.199 -1.825 -16.259 1.00 21.61 H new ATOM 0 HG3 ARG B 16 -12.851 -2.320 -15.254 1.00 21.61 H new ATOM 0 HD2 ARG B 16 -14.813 -4.501 -15.626 1.00 24.15 H new ATOM 0 HD3 ARG B 16 -14.175 -3.927 -17.154 1.00 24.15 H new ATOM 0 HE ARG B 16 -11.873 -4.176 -15.537 1.00 30.82 H new ATOM 0 HH11 ARG B 16 -14.580 -6.170 -16.514 1.00 34.38 H new ATOM 0 HH12 ARG B 16 -13.657 -7.674 -16.434 1.00 34.38 H new ATOM 0 HH21 ARG B 16 -10.700 -6.101 -15.437 1.00 25.71 H new ATOM 0 HH22 ARG B 16 -11.482 -7.635 -15.831 1.00 25.71 H new ATOM 1655 N SER B 17 -16.846 -5.022 -13.879 1.00 22.35 N ATOM 1656 CA SER B 17 -17.393 -5.995 -12.891 1.00 28.62 C ATOM 1657 C SER B 17 -16.819 -5.691 -11.506 1.00 31.32 C ATOM 1658 O SER B 17 -15.620 -5.657 -11.313 1.00 33.90 O ATOM 1659 CB SER B 17 -17.002 -7.417 -13.304 1.00 30.78 C ATOM 1660 OG SER B 17 -17.946 -7.908 -14.247 1.00 38.77 O ATOM 0 H SER B 17 -16.545 -5.426 -14.766 1.00 22.35 H new ATOM 0 HA SER B 17 -18.479 -5.911 -12.862 1.00 28.62 H new ATOM 0 HB2 SER B 17 -16.002 -7.420 -13.738 1.00 30.78 H new ATOM 0 HB3 SER B 17 -16.972 -8.067 -12.430 1.00 30.78 H new ATOM 0 HG SER B 17 -17.698 -8.817 -14.515 1.00 38.77 H new ATOM 1666 N GLY B 18 -17.667 -5.469 -10.540 1.00 32.28 N ATOM 1667 CA GLY B 18 -17.173 -5.167 -9.166 1.00 32.82 C ATOM 1668 C GLY B 18 -17.950 -6.003 -8.151 1.00 34.58 C ATOM 1669 O GLY B 18 -19.130 -6.244 -8.308 1.00 34.04 O ATOM 0 H GLY B 18 -18.682 -5.484 -10.642 1.00 32.28 H new ATOM 0 HA2 GLY B 18 -16.108 -5.386 -9.095 1.00 32.82 H new ATOM 0 HA3 GLY B 18 -17.295 -4.106 -8.949 1.00 32.82 H new ATOM 1673 N VAL B 19 -17.302 -6.446 -7.109 1.00 36.31 N ATOM 1674 CA VAL B 19 -18.012 -7.261 -6.084 1.00 38.94 C ATOM 1675 C VAL B 19 -17.554 -6.829 -4.692 1.00 39.44 C ATOM 1676 O VAL B 19 -16.382 -6.871 -4.372 1.00 39.08 O ATOM 1677 CB VAL B 19 -17.694 -8.743 -6.290 1.00 39.83 C ATOM 1678 CG1 VAL B 19 -18.847 -9.593 -5.751 1.00 41.87 C ATOM 1679 CG2 VAL B 19 -17.506 -9.024 -7.783 1.00 39.95 C ATOM 0 H VAL B 19 -16.313 -6.279 -6.923 1.00 36.31 H new ATOM 0 HA VAL B 19 -19.087 -7.109 -6.181 1.00 38.94 H new ATOM 0 HB VAL B 19 -16.778 -8.994 -5.756 1.00 39.83 H new ATOM 0 HG11 VAL B 19 -18.620 -10.649 -5.898 1.00 41.87 H new ATOM 0 HG12 VAL B 19 -18.979 -9.395 -4.687 1.00 41.87 H new ATOM 0 HG13 VAL B 19 -19.764 -9.341 -6.283 1.00 41.87 H new ATOM 0 HG21 VAL B 19 -17.279 -10.080 -7.929 1.00 39.95 H new ATOM 0 HG22 VAL B 19 -18.421 -8.772 -8.319 1.00 39.95 H new ATOM 0 HG23 VAL B 19 -16.683 -8.420 -8.166 1.00 39.95 H new ATOM 1689 N SER B 20 -18.467 -6.403 -3.864 1.00 41.09 N ATOM 1690 CA SER B 20 -18.083 -5.955 -2.497 1.00 44.70 C ATOM 1691 C SER B 20 -17.566 -7.147 -1.689 1.00 47.21 C ATOM 1692 O SER B 20 -17.749 -8.289 -2.061 1.00 47.07 O ATOM 1693 CB SER B 20 -19.301 -5.345 -1.799 1.00 44.37 C ATOM 1694 OG SER B 20 -19.825 -6.275 -0.859 1.00 46.57 O ATOM 0 H SER B 20 -19.463 -6.346 -4.076 1.00 41.09 H new ATOM 0 HA SER B 20 -17.295 -5.205 -2.570 1.00 44.70 H new ATOM 0 HB2 SER B 20 -19.019 -4.421 -1.294 1.00 44.37 H new ATOM 0 HB3 SER B 20 -20.063 -5.087 -2.534 1.00 44.37 H new ATOM 0 HG SER B 20 -19.961 -5.828 0.002 1.00 46.57 H new ATOM 1700 N ARG B 21 -16.921 -6.887 -0.585 1.00 50.78 N ATOM 1701 CA ARG B 21 -16.391 -8.002 0.249 1.00 55.55 C ATOM 1702 C ARG B 21 -17.534 -8.935 0.653 1.00 55.58 C ATOM 1703 O ARG B 21 -17.314 -10.049 1.084 1.00 54.47 O ATOM 1704 CB ARG B 21 -15.733 -7.431 1.507 1.00 59.49 C ATOM 1705 CG ARG B 21 -16.804 -6.815 2.407 1.00 60.53 C ATOM 1706 CD ARG B 21 -17.157 -7.795 3.528 1.00 64.36 C ATOM 1707 NE ARG B 21 -16.222 -7.597 4.672 1.00 68.68 N ATOM 1708 CZ ARG B 21 -16.504 -8.100 5.844 1.00 71.11 C ATOM 1709 NH1 ARG B 21 -17.608 -8.776 6.022 1.00 70.71 N ATOM 1710 NH2 ARG B 21 -15.680 -7.926 6.841 1.00 71.56 N ATOM 0 H ARG B 21 -16.738 -5.950 -0.225 1.00 50.78 H new ATOM 0 HA ARG B 21 -15.654 -8.562 -0.327 1.00 55.55 H new ATOM 0 HB2 ARG B 21 -15.202 -8.218 2.042 1.00 59.49 H new ATOM 0 HB3 ARG B 21 -14.995 -6.677 1.234 1.00 59.49 H new ATOM 0 HG2 ARG B 21 -16.443 -5.877 2.830 1.00 60.53 H new ATOM 0 HG3 ARG B 21 -17.693 -6.579 1.822 1.00 60.53 H new ATOM 0 HD2 ARG B 21 -18.185 -7.637 3.853 1.00 64.36 H new ATOM 0 HD3 ARG B 21 -17.091 -8.820 3.164 1.00 64.36 H new ATOM 0 HE ARG B 21 -15.360 -7.068 4.539 1.00 68.68 H new ATOM 0 HH11 ARG B 21 -18.253 -8.913 5.244 1.00 70.71 H new ATOM 0 HH12 ARG B 21 -17.824 -9.167 6.939 1.00 70.71 H new ATOM 0 HH21 ARG B 21 -14.818 -7.398 6.704 1.00 71.56 H new ATOM 0 HH22 ARG B 21 -15.898 -8.318 7.757 1.00 71.56 H new ATOM 1724 N GLN B 22 -18.755 -8.491 0.521 1.00 57.32 N ATOM 1725 CA GLN B 22 -19.904 -9.360 0.902 1.00 58.73 C ATOM 1726 C GLN B 22 -20.232 -10.314 -0.247 1.00 58.18 C ATOM 1727 O GLN B 22 -21.220 -11.020 -0.219 1.00 59.52 O ATOM 1728 CB GLN B 22 -21.124 -8.490 1.215 1.00 62.32 C ATOM 1729 CG GLN B 22 -21.009 -7.948 2.641 1.00 65.12 C ATOM 1730 CD GLN B 22 -22.406 -7.773 3.239 1.00 66.38 C ATOM 1731 OE1 GLN B 22 -23.265 -7.160 2.636 1.00 66.60 O ATOM 1732 NE2 GLN B 22 -22.672 -8.289 4.408 1.00 65.96 N ATOM 0 H GLN B 22 -19.005 -7.568 0.167 1.00 57.32 H new ATOM 0 HA GLN B 22 -19.639 -9.941 1.786 1.00 58.73 H new ATOM 0 HB2 GLN B 22 -21.188 -7.666 0.505 1.00 62.32 H new ATOM 0 HB3 GLN B 22 -22.038 -9.074 1.109 1.00 62.32 H new ATOM 0 HG2 GLN B 22 -20.423 -8.632 3.255 1.00 65.12 H new ATOM 0 HG3 GLN B 22 -20.482 -6.994 2.636 1.00 65.12 H new ATOM 0 HE21 GLN B 22 -21.951 -8.804 4.914 1.00 65.96 H new ATOM 0 HE22 GLN B 22 -23.601 -8.178 4.815 1.00 65.96 H new ATOM 1741 N GLY B 23 -19.405 -10.347 -1.254 1.00 55.49 N ATOM 1742 CA GLY B 23 -19.659 -11.264 -2.402 1.00 50.89 C ATOM 1743 C GLY B 23 -20.732 -10.671 -3.318 1.00 48.17 C ATOM 1744 O GLY B 23 -21.134 -11.281 -4.289 1.00 50.32 O ATOM 0 H GLY B 23 -18.562 -9.778 -1.333 1.00 55.49 H new ATOM 0 HA2 GLY B 23 -18.738 -11.422 -2.962 1.00 50.89 H new ATOM 0 HA3 GLY B 23 -19.980 -12.239 -2.035 1.00 50.89 H new ATOM 1748 N LYS B 24 -21.199 -9.489 -3.024 1.00 44.99 N ATOM 1749 CA LYS B 24 -22.243 -8.872 -3.890 1.00 42.22 C ATOM 1750 C LYS B 24 -21.565 -8.060 -5.001 1.00 42.41 C ATOM 1751 O LYS B 24 -20.570 -7.408 -4.762 1.00 42.26 O ATOM 1752 CB LYS B 24 -23.128 -7.949 -3.047 1.00 40.33 C ATOM 1753 CG LYS B 24 -22.355 -6.675 -2.696 1.00 40.86 C ATOM 1754 CD LYS B 24 -22.802 -6.167 -1.324 1.00 37.00 C ATOM 1755 CE LYS B 24 -23.714 -4.952 -1.503 1.00 36.58 C ATOM 1756 NZ LYS B 24 -24.866 -5.053 -0.563 1.00 34.22 N ATOM 0 H LYS B 24 -20.905 -8.926 -2.226 1.00 44.99 H new ATOM 0 HA LYS B 24 -22.858 -9.654 -4.334 1.00 42.22 H new ATOM 0 HB2 LYS B 24 -24.035 -7.696 -3.597 1.00 40.33 H new ATOM 0 HB3 LYS B 24 -23.440 -8.460 -2.136 1.00 40.33 H new ATOM 0 HG2 LYS B 24 -21.284 -6.877 -2.689 1.00 40.86 H new ATOM 0 HG3 LYS B 24 -22.530 -5.911 -3.453 1.00 40.86 H new ATOM 0 HD2 LYS B 24 -23.329 -6.955 -0.787 1.00 37.00 H new ATOM 0 HD3 LYS B 24 -21.933 -5.898 -0.723 1.00 37.00 H new ATOM 0 HE2 LYS B 24 -23.157 -4.034 -1.315 1.00 36.58 H new ATOM 0 HE3 LYS B 24 -24.073 -4.902 -2.531 1.00 36.58 H new ATOM 0 HZ1 LYS B 24 -25.486 -4.227 -0.684 1.00 34.22 H new ATOM 0 HZ2 LYS B 24 -25.402 -5.921 -0.763 1.00 34.22 H new ATOM 0 HZ3 LYS B 24 -24.514 -5.081 0.415 1.00 34.22 H new ATOM 1770 N PRO B 25 -22.125 -8.125 -6.184 1.00 42.36 N ATOM 1771 CA PRO B 25 -21.592 -7.405 -7.355 1.00 40.32 C ATOM 1772 C PRO B 25 -21.989 -5.925 -7.293 1.00 36.91 C ATOM 1773 O PRO B 25 -23.134 -5.596 -7.055 1.00 36.63 O ATOM 1774 CB PRO B 25 -22.259 -8.107 -8.540 1.00 42.73 C ATOM 1775 CG PRO B 25 -23.532 -8.775 -7.986 1.00 43.71 C ATOM 1776 CD PRO B 25 -23.337 -8.918 -6.467 1.00 44.10 C ATOM 0 HA PRO B 25 -20.504 -7.424 -7.417 1.00 40.32 H new ATOM 0 HB2 PRO B 25 -22.505 -7.393 -9.326 1.00 42.73 H new ATOM 0 HB3 PRO B 25 -21.591 -8.848 -8.979 1.00 42.73 H new ATOM 0 HG2 PRO B 25 -24.412 -8.171 -8.207 1.00 43.71 H new ATOM 0 HG3 PRO B 25 -23.689 -9.749 -8.449 1.00 43.71 H new ATOM 0 HD2 PRO B 25 -24.199 -8.539 -5.917 1.00 44.10 H new ATOM 0 HD3 PRO B 25 -23.208 -9.961 -6.178 1.00 44.10 H new ATOM 1784 N TYR B 26 -21.060 -5.022 -7.496 1.00 32.09 N ATOM 1785 CA TYR B 26 -21.424 -3.576 -7.431 1.00 27.86 C ATOM 1786 C TYR B 26 -20.957 -2.839 -8.684 1.00 26.29 C ATOM 1787 O TYR B 26 -20.834 -1.631 -8.680 1.00 28.07 O ATOM 1788 CB TYR B 26 -20.803 -2.931 -6.183 1.00 23.99 C ATOM 1789 CG TYR B 26 -19.298 -3.125 -6.165 1.00 24.09 C ATOM 1790 CD1 TYR B 26 -18.494 -2.520 -7.136 1.00 24.19 C ATOM 1791 CD2 TYR B 26 -18.709 -3.897 -5.154 1.00 24.63 C ATOM 1792 CE1 TYR B 26 -17.104 -2.689 -7.101 1.00 24.77 C ATOM 1793 CE2 TYR B 26 -17.319 -4.063 -5.119 1.00 24.84 C ATOM 1794 CZ TYR B 26 -16.517 -3.460 -6.093 1.00 24.25 C ATOM 1795 OH TYR B 26 -15.147 -3.623 -6.058 1.00 29.25 O ATOM 0 H TYR B 26 -20.081 -5.221 -7.701 1.00 32.09 H new ATOM 0 HA TYR B 26 -22.510 -3.501 -7.372 1.00 27.86 H new ATOM 0 HB2 TYR B 26 -21.037 -1.867 -6.164 1.00 23.99 H new ATOM 0 HB3 TYR B 26 -21.241 -3.369 -5.286 1.00 23.99 H new ATOM 0 HD1 TYR B 26 -18.945 -1.922 -7.914 1.00 24.19 H new ATOM 0 HD2 TYR B 26 -19.327 -4.364 -4.402 1.00 24.63 H new ATOM 0 HE1 TYR B 26 -16.485 -2.223 -7.853 1.00 24.77 H new ATOM 0 HE2 TYR B 26 -16.866 -4.657 -4.339 1.00 24.84 H new ATOM 0 HH TYR B 26 -14.904 -4.186 -5.293 1.00 29.25 H new ATOM 1805 N SER B 27 -20.729 -3.570 -9.748 1.00 24.52 N ATOM 1806 CA SER B 27 -20.280 -2.972 -11.058 1.00 22.20 C ATOM 1807 C SER B 27 -19.844 -1.517 -10.872 1.00 20.52 C ATOM 1808 O SER B 27 -20.429 -0.603 -11.419 1.00 23.07 O ATOM 1809 CB SER B 27 -21.434 -3.030 -12.059 1.00 25.30 C ATOM 1810 OG SER B 27 -21.443 -4.303 -12.692 1.00 29.25 O ATOM 0 H SER B 27 -20.837 -4.584 -9.769 1.00 24.52 H new ATOM 0 HA SER B 27 -19.430 -3.544 -11.429 1.00 22.20 H new ATOM 0 HB2 SER B 27 -22.382 -2.858 -11.549 1.00 25.30 H new ATOM 0 HB3 SER B 27 -21.325 -2.242 -12.804 1.00 25.30 H new ATOM 0 HG SER B 27 -22.183 -4.344 -13.333 1.00 29.25 H new ATOM 1816 N LEU B 28 -18.836 -1.303 -10.080 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.366 0.087 -9.820 1.00 16.31 C ATOM 1818 C LEU B 28 -17.879 0.749 -11.111 1.00 14.21 C ATOM 1819 O LEU B 28 -17.712 0.115 -12.134 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.240 0.064 -8.772 1.00 16.48 C ATOM 1821 CG LEU B 28 -15.929 -0.473 -9.370 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -16.196 -1.692 -10.261 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -15.255 0.626 -10.197 1.00 22.01 C ATOM 0 H LEU B 28 -18.312 -2.033 -9.597 1.00 18.57 H new ATOM 0 HA LEU B 28 -19.202 0.673 -9.437 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.080 1.070 -8.385 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.539 -0.558 -7.928 1.00 16.48 H new ATOM 0 HG LEU B 28 -15.274 -0.776 -8.553 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -15.254 -2.055 -10.673 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -16.661 -2.480 -9.669 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -16.863 -1.408 -11.075 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -14.326 0.245 -10.620 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -15.921 0.935 -11.003 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -15.038 1.481 -9.557 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.658 2.033 -11.060 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.183 2.774 -12.265 1.00 9.77 C ATOM 1837 C ASN B 29 -15.698 3.104 -12.082 1.00 7.94 C ATOM 1838 O ASN B 29 -15.298 3.637 -11.068 1.00 10.52 O ATOM 1839 CB ASN B 29 -17.982 4.076 -12.429 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.167 4.106 -11.455 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.888 3.136 -11.328 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.398 5.186 -10.760 1.00 12.89 N ATOM 0 H ASN B 29 -17.787 2.607 -10.227 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.325 2.160 -13.154 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.333 4.933 -12.248 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.344 4.161 -13.454 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.184 5.216 -10.110 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.793 6.000 -10.867 1.00 12.89 H new ATOM 1849 N GLU B 30 -14.874 2.783 -13.043 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.415 3.072 -12.902 1.00 13.16 C ATOM 1851 C GLU B 30 -13.001 4.167 -13.889 1.00 12.26 C ATOM 1852 O GLU B 30 -13.579 4.312 -14.948 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.619 1.799 -13.198 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.212 1.131 -11.883 1.00 27.13 C ATOM 1855 CD GLU B 30 -10.771 0.628 -11.990 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -10.413 0.138 -13.048 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -10.050 0.743 -11.013 1.00 38.01 O ATOM 0 H GLU B 30 -15.146 2.334 -13.918 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.212 3.410 -11.886 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.220 1.113 -13.795 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.733 2.040 -13.785 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.301 1.840 -11.060 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -12.883 0.301 -11.662 1.00 27.13 H new ATOM 1864 N GLN B 31 -11.998 4.935 -13.552 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.541 6.016 -14.474 1.00 9.46 C ATOM 1866 C GLN B 31 -10.015 5.977 -14.590 1.00 10.09 C ATOM 1867 O GLN B 31 -9.351 5.205 -13.928 1.00 9.36 O ATOM 1868 CB GLN B 31 -11.972 7.382 -13.925 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.129 8.376 -15.082 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.296 9.627 -14.792 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.205 9.536 -14.265 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.768 10.800 -15.116 1.00 12.39 N ATOM 0 H GLN B 31 -11.476 4.860 -12.679 1.00 10.34 H new ATOM 0 HA GLN B 31 -11.988 5.862 -15.456 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.913 7.287 -13.384 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.232 7.750 -13.215 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -11.805 7.918 -16.016 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.178 8.645 -15.206 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.684 10.877 -15.558 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.221 11.640 -14.927 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.456 6.809 -15.427 1.00 6.80 N ATOM 1882 CA LEU B 32 -7.975 6.830 -15.590 1.00 10.34 C ATOM 1883 C LEU B 32 -7.469 8.263 -15.403 1.00 9.02 C ATOM 1884 O LEU B 32 -8.197 9.216 -15.600 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.613 6.337 -16.993 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.305 4.999 -17.256 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.660 5.245 -17.926 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.428 4.146 -18.176 1.00 15.89 C ATOM 0 H LEU B 32 -9.964 7.477 -16.007 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.512 6.180 -14.847 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -7.920 7.070 -17.739 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.533 6.224 -17.083 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.458 4.477 -16.311 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -10.152 4.291 -18.113 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.284 5.853 -17.272 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -9.509 5.767 -18.871 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.919 3.192 -18.365 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -7.275 4.669 -19.120 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.464 3.970 -17.699 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.228 8.426 -15.027 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.676 9.795 -14.829 1.00 8.10 C ATOM 1902 C CYS B 33 -4.168 9.739 -15.046 1.00 6.34 C ATOM 1903 O CYS B 33 -3.622 8.709 -15.381 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.957 10.292 -13.404 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.525 9.621 -12.797 1.00 13.84 S ATOM 0 H CYS B 33 -5.572 7.666 -14.848 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.147 10.479 -15.535 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.145 9.992 -12.741 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -5.992 11.381 -13.393 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.409 9.653 -13.750 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.487 10.830 -14.854 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.013 10.818 -15.051 1.00 7.08 C ATOM 1913 C TYR B 34 -1.331 11.456 -13.843 1.00 7.71 C ATOM 1914 O TYR B 34 -1.311 12.663 -13.700 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.663 11.625 -16.292 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.844 10.786 -17.533 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -3.089 10.735 -18.164 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -0.756 10.087 -18.072 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -3.246 9.991 -19.336 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -0.913 9.341 -19.238 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.155 9.296 -19.872 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.310 8.561 -21.029 1.00 21.14 O ATOM 0 H TYR B 34 -3.884 11.726 -14.571 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.675 9.788 -15.167 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.296 12.510 -16.348 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.632 11.974 -16.228 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.929 11.270 -17.746 1.00 12.44 H new ATOM 0 HD2 TYR B 34 0.206 10.127 -17.583 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -4.207 9.952 -19.828 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -0.075 8.799 -19.650 1.00 17.22 H new ATOM 0 HH TYR B 34 -1.457 8.141 -21.267 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.770 10.667 -12.970 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.101 11.257 -11.780 1.00 10.66 C ATOM 1934 C VAL B 35 1.373 11.520 -12.077 1.00 10.57 C ATOM 1935 O VAL B 35 2.106 10.639 -12.482 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.218 10.312 -10.588 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.632 10.856 -9.437 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.683 10.235 -10.150 1.00 9.86 C ATOM 0 H VAL B 35 -0.746 9.649 -13.028 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.592 12.200 -11.541 1.00 10.66 H new ATOM 0 HB VAL B 35 0.132 9.317 -10.864 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.555 10.187 -8.580 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.673 10.922 -9.753 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.274 11.847 -9.157 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.773 9.561 -9.298 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.030 11.228 -9.865 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.290 9.861 -10.974 1.00 9.86 H new ATOM 1948 N ASP B 36 1.815 12.730 -11.868 1.00 8.58 N ATOM 1949 CA ASP B 36 3.239 13.054 -12.120 1.00 11.48 C ATOM 1950 C ASP B 36 4.095 12.329 -11.082 1.00 12.38 C ATOM 1951 O ASP B 36 5.129 11.775 -11.392 1.00 11.89 O ATOM 1952 CB ASP B 36 3.452 14.565 -11.998 1.00 16.17 C ATOM 1953 CG ASP B 36 3.439 15.199 -13.391 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.932 14.567 -14.303 1.00 15.67 O ATOM 1955 OD2 ASP B 36 3.937 16.305 -13.521 1.00 25.89 O ATOM 0 H ASP B 36 1.246 13.507 -11.533 1.00 8.58 H new ATOM 0 HA ASP B 36 3.522 12.736 -13.124 1.00 11.48 H new ATOM 0 HB2 ASP B 36 2.669 15.004 -11.380 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.401 14.770 -11.503 1.00 16.17 H new ATOM 1960 N LEU B 37 3.661 12.321 -9.850 1.00 13.17 N ATOM 1961 CA LEU B 37 4.437 11.626 -8.786 1.00 18.47 C ATOM 1962 C LEU B 37 5.910 12.022 -8.879 1.00 21.14 C ATOM 1963 O LEU B 37 6.788 11.183 -8.863 1.00 24.24 O ATOM 1964 CB LEU B 37 4.313 10.115 -8.974 1.00 15.81 C ATOM 1965 CG LEU B 37 5.037 9.403 -7.835 1.00 20.59 C ATOM 1966 CD1 LEU B 37 4.028 8.584 -7.028 1.00 14.72 C ATOM 1967 CD2 LEU B 37 6.106 8.472 -8.416 1.00 20.01 C ATOM 0 H LEU B 37 2.800 12.768 -9.535 1.00 13.17 H new ATOM 0 HA LEU B 37 4.044 11.912 -7.810 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.263 9.824 -8.990 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.740 9.820 -9.932 1.00 15.81 H new ATOM 0 HG LEU B 37 5.511 10.138 -7.185 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.542 8.074 -6.213 1.00 14.72 H new ATOM 0 HD12 LEU B 37 3.266 9.247 -6.618 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.556 7.847 -7.677 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.625 7.962 -7.604 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.633 7.734 -9.064 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.822 9.056 -8.994 1.00 20.01 H new ATOM 1979 N GLY B 38 6.192 13.291 -8.982 1.00 20.70 N ATOM 1980 CA GLY B 38 7.611 13.725 -9.083 1.00 23.91 C ATOM 1981 C GLY B 38 8.173 13.310 -10.447 1.00 26.50 C ATOM 1982 O GLY B 38 9.341 13.490 -10.731 1.00 31.02 O ATOM 0 H GLY B 38 5.503 14.043 -9.000 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.682 14.806 -8.961 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.199 13.275 -8.283 1.00 23.91 H new ATOM 1986 N ASN B 39 7.343 12.764 -11.297 1.00 27.64 N ATOM 1987 CA ASN B 39 7.801 12.344 -12.640 1.00 30.27 C ATOM 1988 C ASN B 39 7.300 13.361 -13.663 1.00 26.79 C ATOM 1989 O ASN B 39 6.175 13.296 -14.112 1.00 26.87 O ATOM 1990 CB ASN B 39 7.236 10.958 -12.976 1.00 35.62 C ATOM 1991 CG ASN B 39 7.075 10.136 -11.694 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.840 10.287 -10.762 1.00 43.23 O ATOM 1993 ND2 ASN B 39 6.105 9.263 -11.608 1.00 39.63 N ATOM 0 H ASN B 39 6.355 12.592 -11.108 1.00 27.64 H new ATOM 0 HA ASN B 39 8.890 12.294 -12.660 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.273 11.060 -13.476 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.902 10.442 -13.668 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.991 8.709 -10.759 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.463 9.136 -12.390 1.00 39.63 H new ATOM 2000 N GLU B 40 8.129 14.307 -14.002 1.00 25.15 N ATOM 2001 CA GLU B 40 7.742 15.371 -14.983 1.00 23.81 C ATOM 2002 C GLU B 40 6.736 14.833 -16.001 1.00 21.12 C ATOM 2003 O GLU B 40 5.818 15.517 -16.408 1.00 19.86 O ATOM 2004 CB GLU B 40 8.991 15.866 -15.715 1.00 27.22 C ATOM 2005 CG GLU B 40 9.815 16.755 -14.781 1.00 34.87 C ATOM 2006 CD GLU B 40 10.509 17.848 -15.595 1.00 38.97 C ATOM 2007 OE1 GLU B 40 11.321 17.506 -16.438 1.00 39.54 O ATOM 2008 OE2 GLU B 40 10.217 19.009 -15.361 1.00 42.34 O ATOM 0 H GLU B 40 9.077 14.393 -13.636 1.00 25.15 H new ATOM 0 HA GLU B 40 7.278 16.193 -14.438 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.589 15.018 -16.048 1.00 27.22 H new ATOM 0 HB3 GLU B 40 8.705 16.424 -16.606 1.00 27.22 H new ATOM 0 HG2 GLU B 40 9.169 17.204 -14.026 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.556 16.156 -14.251 1.00 34.87 H new ATOM 2015 N HIS B 41 6.899 13.612 -16.401 1.00 5.16 N ATOM 2016 CA HIS B 41 5.950 13.010 -17.383 1.00 4.43 C ATOM 2017 C HIS B 41 4.748 12.450 -16.621 1.00 3.39 C ATOM 2018 O HIS B 41 4.888 11.985 -15.508 1.00 2.71 O ATOM 2019 CB HIS B 41 6.647 11.881 -18.144 1.00 5.23 C ATOM 2020 CG HIS B 41 7.511 12.467 -19.227 1.00 4.25 C ATOM 2021 ND1 HIS B 41 8.064 13.734 -19.128 1.00 4.59 N ATOM 2022 CD2 HIS B 41 7.926 11.971 -20.439 1.00 3.78 C ATOM 2023 CE1 HIS B 41 8.774 13.956 -20.249 1.00 4.05 C ATOM 2024 NE2 HIS B 41 8.723 12.913 -21.082 1.00 3.68 N ATOM 0 H HIS B 41 7.651 12.996 -16.092 1.00 5.16 H new ATOM 0 HA HIS B 41 5.620 13.767 -18.094 1.00 4.43 H new ATOM 0 HB2 HIS B 41 7.254 11.288 -17.460 1.00 5.23 H new ATOM 0 HB3 HIS B 41 5.907 11.209 -18.578 1.00 5.23 H new ATOM 0 HD2 HIS B 41 7.672 10.998 -20.833 1.00 3.78 H new ATOM 0 HE1 HIS B 41 9.319 14.866 -20.451 1.00 4.05 H new ATOM 0 HE2 HIS B 41 9.172 12.826 -21.994 1.00 3.68 H new ATOM 2032 N PRO B 42 3.596 12.515 -17.234 1.00 15.11 N ATOM 2033 CA PRO B 42 2.356 12.026 -16.614 1.00 16.08 C ATOM 2034 C PRO B 42 2.298 10.503 -16.662 1.00 17.92 C ATOM 2035 O PRO B 42 2.610 9.890 -17.664 1.00 17.13 O ATOM 2036 CB PRO B 42 1.256 12.628 -17.484 1.00 16.41 C ATOM 2037 CG PRO B 42 1.900 12.933 -18.850 1.00 13.79 C ATOM 2038 CD PRO B 42 3.418 13.067 -18.593 1.00 16.28 C ATOM 0 HA PRO B 42 2.269 12.305 -15.564 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.423 11.933 -17.594 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.856 13.536 -17.032 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.695 12.135 -19.563 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.495 13.852 -19.275 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.999 12.512 -19.329 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.743 14.106 -18.648 1.00 16.28 H new ATOM 2046 N VAL B 43 1.888 9.888 -15.593 1.00 16.29 N ATOM 2047 CA VAL B 43 1.796 8.408 -15.585 1.00 14.28 C ATOM 2048 C VAL B 43 0.327 8.000 -15.595 1.00 9.00 C ATOM 2049 O VAL B 43 -0.404 8.243 -14.656 1.00 7.99 O ATOM 2050 CB VAL B 43 2.473 7.853 -14.334 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.867 8.467 -14.191 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.633 8.196 -13.101 1.00 20.57 C ATOM 0 H VAL B 43 1.613 10.347 -14.725 1.00 16.29 H new ATOM 0 HA VAL B 43 2.296 8.007 -16.467 1.00 14.28 H new ATOM 0 HB VAL B 43 2.562 6.770 -14.421 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.349 8.070 -13.298 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.466 8.219 -15.067 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.780 9.550 -14.106 1.00 18.07 H new ATOM 0 HG21 VAL B 43 2.117 7.799 -12.209 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.541 9.279 -13.013 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.641 7.755 -13.202 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.110 7.382 -16.651 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.530 6.964 -16.725 1.00 11.55 C ATOM 2064 C LEU B 44 -1.800 5.899 -15.666 1.00 10.61 C ATOM 2065 O LEU B 44 -1.333 4.781 -15.756 1.00 13.49 O ATOM 2066 CB LEU B 44 -1.827 6.406 -18.112 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.265 5.901 -18.150 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.205 7.008 -17.667 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -3.630 5.508 -19.583 1.00 20.21 C ATOM 0 H LEU B 44 0.456 7.148 -17.467 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.175 7.824 -16.542 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.680 7.178 -18.867 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.137 5.595 -18.346 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.364 5.031 -17.500 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.234 6.649 -17.693 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -3.944 7.287 -16.646 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.107 7.878 -18.317 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -4.658 5.147 -19.611 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.533 6.377 -20.234 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -2.959 4.720 -19.926 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.550 6.243 -14.661 1.00 10.81 N ATOM 2082 CA VAL B 45 -2.857 5.264 -13.584 1.00 9.29 C ATOM 2083 C VAL B 45 -4.355 4.969 -13.582 1.00 9.95 C ATOM 2084 O VAL B 45 -5.139 5.678 -14.181 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.439 5.851 -12.238 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.182 5.144 -11.095 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -0.931 5.663 -12.055 1.00 10.20 C ATOM 0 H VAL B 45 -2.967 7.166 -14.538 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.310 4.337 -13.757 1.00 9.29 H new ATOM 0 HB VAL B 45 -2.689 6.912 -12.219 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -2.874 5.572 -10.141 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.256 5.276 -11.223 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -2.943 4.081 -11.109 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -0.626 6.080 -11.095 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -0.691 4.600 -12.081 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -0.400 6.175 -12.858 1.00 10.20 H new ATOM 2097 N LYS B 46 -4.759 3.929 -12.910 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.205 3.600 -12.871 1.00 12.81 C ATOM 2099 C LYS B 46 -6.825 4.176 -11.598 1.00 13.35 C ATOM 2100 O LYS B 46 -6.367 3.920 -10.501 1.00 12.90 O ATOM 2101 CB LYS B 46 -6.394 2.081 -12.895 1.00 17.04 C ATOM 2102 CG LYS B 46 -5.708 1.497 -14.131 1.00 26.60 C ATOM 2103 CD LYS B 46 -5.936 -0.016 -14.175 1.00 33.77 C ATOM 2104 CE LYS B 46 -6.850 -0.361 -15.352 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.631 -1.590 -15.031 1.00 36.74 N ATOM 0 H LYS B 46 -4.152 3.296 -12.389 1.00 10.76 H new ATOM 0 HA LYS B 46 -6.696 4.034 -13.742 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -5.975 1.638 -11.991 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.456 1.837 -12.907 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -6.105 1.962 -15.034 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -4.640 1.714 -14.104 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -4.983 -0.535 -14.277 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -6.385 -0.354 -13.241 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.526 0.469 -15.557 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -6.257 -0.519 -16.253 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -8.253 -1.825 -15.831 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -6.978 -2.380 -14.856 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -8.208 -1.423 -14.182 1.00 36.74 H new ATOM 2119 N ILE B 47 -7.862 4.955 -11.735 1.00 13.96 N ATOM 2120 CA ILE B 47 -8.511 5.552 -10.540 1.00 16.93 C ATOM 2121 C ILE B 47 -9.952 5.043 -10.437 1.00 16.52 C ATOM 2122 O ILE B 47 -10.669 4.983 -11.417 1.00 17.67 O ATOM 2123 CB ILE B 47 -8.495 7.084 -10.669 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.570 7.719 -9.280 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -9.687 7.559 -11.505 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.431 8.723 -9.119 1.00 18.26 C ATOM 0 H ILE B 47 -8.288 5.203 -12.628 1.00 13.96 H new ATOM 0 HA ILE B 47 -7.970 5.264 -9.639 1.00 16.93 H new ATOM 0 HB ILE B 47 -7.570 7.383 -11.162 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.530 8.217 -9.147 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.502 6.949 -8.512 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -9.663 8.646 -11.588 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -9.632 7.118 -12.500 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -10.615 7.252 -11.023 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.483 9.177 -8.129 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.476 8.211 -9.234 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.520 9.499 -9.879 1.00 18.26 H new ATOM 2138 N THR B 48 -10.385 4.681 -9.262 1.00 16.86 N ATOM 2139 CA THR B 48 -11.780 4.184 -9.111 1.00 16.59 C ATOM 2140 C THR B 48 -12.755 5.335 -9.355 1.00 19.04 C ATOM 2141 O THR B 48 -12.386 6.492 -9.341 1.00 22.56 O ATOM 2142 CB THR B 48 -11.981 3.634 -7.698 1.00 16.30 C ATOM 2143 OG1 THR B 48 -10.901 2.772 -7.368 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.297 2.856 -7.633 1.00 16.02 C ATOM 0 H THR B 48 -9.836 4.708 -8.403 1.00 16.86 H new ATOM 0 HA THR B 48 -11.963 3.390 -9.835 1.00 16.59 H new ATOM 0 HB THR B 48 -12.016 4.460 -6.988 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.165 2.184 -6.630 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.439 2.465 -6.626 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.125 3.519 -7.885 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.266 2.029 -8.342 1.00 16.02 H new ATOM 2152 N LEU B 49 -13.996 5.022 -9.585 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.006 6.078 -9.841 1.00 18.82 C ATOM 2154 C LEU B 49 -16.377 5.569 -9.390 1.00 20.06 C ATOM 2155 O LEU B 49 -17.074 4.908 -10.131 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.036 6.376 -11.341 1.00 18.79 C ATOM 2157 CG LEU B 49 -15.575 7.781 -11.590 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.068 7.831 -11.256 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.823 8.795 -10.721 1.00 14.50 C ATOM 0 H LEU B 49 -14.357 4.068 -9.607 1.00 18.35 H new ATOM 0 HA LEU B 49 -14.755 6.986 -9.292 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -14.033 6.285 -11.757 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -15.661 5.643 -11.852 1.00 18.79 H new ATOM 0 HG LEU B 49 -15.430 8.032 -12.641 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.448 8.837 -11.436 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -17.606 7.122 -11.886 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.215 7.569 -10.208 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -15.215 9.795 -10.906 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.956 8.542 -9.669 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.762 8.770 -10.969 1.00 14.50 H new ATOM 2171 N ASP B 50 -16.765 5.859 -8.177 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.088 5.375 -7.688 1.00 27.04 C ATOM 2173 C ASP B 50 -18.706 6.413 -6.750 1.00 27.73 C ATOM 2174 O ASP B 50 -18.370 7.580 -6.791 1.00 26.65 O ATOM 2175 CB ASP B 50 -17.897 4.057 -6.933 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.724 2.959 -7.603 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -18.764 2.935 -8.822 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -19.305 2.161 -6.886 1.00 30.76 O ATOM 0 H ASP B 50 -16.226 6.407 -7.507 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.752 5.220 -8.538 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -16.843 3.780 -6.926 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -18.203 4.174 -5.893 1.00 29.11 H new ATOM 2183 N GLU B 51 -19.612 5.998 -5.905 1.00 31.16 N ATOM 2184 CA GLU B 51 -20.253 6.963 -4.968 1.00 34.22 C ATOM 2185 C GLU B 51 -20.724 8.187 -5.753 1.00 34.98 C ATOM 2186 O GLU B 51 -20.986 8.113 -6.937 1.00 34.19 O ATOM 2187 CB GLU B 51 -19.240 7.396 -3.906 1.00 38.24 C ATOM 2188 CG GLU B 51 -18.649 6.160 -3.229 1.00 46.84 C ATOM 2189 CD GLU B 51 -17.359 6.544 -2.501 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -16.498 7.133 -3.134 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -17.254 6.242 -1.324 1.00 54.92 O ATOM 0 H GLU B 51 -19.935 5.034 -5.824 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.105 6.489 -4.481 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -18.447 7.986 -4.365 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -19.724 8.033 -3.165 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -19.366 5.741 -2.523 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -18.444 5.389 -3.971 1.00 46.84 H new ATOM 2198 N GLY B 52 -20.829 9.314 -5.107 1.00 34.53 N ATOM 2199 CA GLY B 52 -21.278 10.540 -5.824 1.00 34.93 C ATOM 2200 C GLY B 52 -20.105 11.132 -6.608 1.00 36.10 C ATOM 2201 O GLY B 52 -20.245 12.121 -7.300 1.00 35.97 O ATOM 0 H GLY B 52 -20.624 9.440 -4.116 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -22.097 10.298 -6.502 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -21.659 11.272 -5.112 1.00 34.93 H new ATOM 2205 N GLN B 53 -18.946 10.538 -6.501 1.00 36.52 N ATOM 2206 CA GLN B 53 -17.763 11.068 -7.232 1.00 35.40 C ATOM 2207 C GLN B 53 -17.886 10.752 -8.730 1.00 31.02 C ATOM 2208 O GLN B 53 -17.849 9.601 -9.118 1.00 29.05 O ATOM 2209 CB GLN B 53 -16.501 10.407 -6.682 1.00 41.20 C ATOM 2210 CG GLN B 53 -15.659 11.461 -5.968 1.00 47.61 C ATOM 2211 CD GLN B 53 -14.660 10.776 -5.034 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -14.685 10.988 -3.838 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -13.774 9.957 -5.533 1.00 54.76 N ATOM 0 H GLN B 53 -18.769 9.707 -5.937 1.00 36.52 H new ATOM 0 HA GLN B 53 -17.710 12.148 -7.097 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -16.766 9.606 -5.992 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -15.930 9.954 -7.492 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -15.129 12.073 -6.698 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -16.303 12.131 -5.399 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -13.753 9.779 -6.537 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -13.103 9.495 -4.919 1.00 54.76 H new ATOM 2222 N PRO B 54 -18.019 11.783 -9.531 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.139 11.640 -10.993 1.00 23.44 C ATOM 2224 C PRO B 54 -16.756 11.433 -11.621 1.00 20.14 C ATOM 2225 O PRO B 54 -15.756 11.858 -11.078 1.00 21.64 O ATOM 2226 CB PRO B 54 -18.738 12.974 -11.436 1.00 24.39 C ATOM 2227 CG PRO B 54 -18.400 13.992 -10.326 1.00 27.18 C ATOM 2228 CD PRO B 54 -18.069 13.181 -9.060 1.00 28.37 C ATOM 0 HA PRO B 54 -18.745 10.785 -11.292 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.321 13.289 -12.392 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.816 12.890 -11.571 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -17.554 14.615 -10.618 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.241 14.661 -10.147 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -17.118 13.490 -8.626 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -18.829 13.315 -8.290 1.00 28.37 H new ATOM 2236 N ALA B 55 -16.691 10.781 -12.754 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.375 10.546 -13.411 1.00 15.58 C ATOM 2238 C ALA B 55 -14.490 11.788 -13.284 1.00 16.41 C ATOM 2239 O ALA B 55 -14.889 12.887 -13.613 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.600 10.232 -14.891 1.00 13.98 C ATOM 0 H ALA B 55 -17.496 10.401 -13.252 1.00 17.21 H new ATOM 0 HA ALA B 55 -14.878 9.707 -12.924 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.639 10.059 -15.376 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.219 9.340 -14.984 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.102 11.073 -15.369 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.286 11.613 -12.812 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.365 12.773 -12.665 1.00 14.61 C ATOM 2248 C TYR B 56 -12.381 13.584 -13.960 1.00 15.51 C ATOM 2249 O TYR B 56 -11.728 13.245 -14.925 1.00 17.19 O ATOM 2250 CB TYR B 56 -10.942 12.273 -12.382 1.00 12.92 C ATOM 2251 CG TYR B 56 -10.929 11.498 -11.081 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.312 10.150 -11.070 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.548 12.126 -9.891 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -11.313 9.433 -9.871 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -10.547 11.405 -8.690 1.00 11.47 C ATOM 2256 CZ TYR B 56 -10.929 10.060 -8.680 1.00 10.29 C ATOM 2257 OH TYR B 56 -10.930 9.351 -7.496 1.00 12.03 O ATOM 0 H TYR B 56 -12.901 10.714 -12.522 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.690 13.399 -11.834 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.599 11.639 -13.199 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.254 13.116 -12.322 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -11.607 9.665 -11.989 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -10.255 13.165 -9.898 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -11.610 8.395 -9.863 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -10.251 11.889 -7.771 1.00 11.47 H new ATOM 0 HH TYR B 56 -10.636 9.934 -6.765 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.125 14.655 -13.987 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.186 15.490 -15.219 1.00 14.95 C ATOM 2269 C ALA B 57 -11.763 15.808 -15.689 1.00 15.46 C ATOM 2270 O ALA B 57 -10.803 15.457 -15.033 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.927 16.794 -14.914 1.00 14.98 C ATOM 0 H ALA B 57 -13.694 14.988 -13.209 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.715 14.947 -16.002 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.972 17.406 -15.815 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.939 16.567 -14.578 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.398 17.339 -14.132 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.673 16.466 -16.817 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.381 16.852 -17.410 1.00 16.55 C ATOM 2279 C PRO B 58 -9.799 18.067 -16.683 1.00 16.75 C ATOM 2280 O PRO B 58 -10.463 19.066 -16.490 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.740 17.198 -18.858 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.250 17.534 -18.865 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.851 16.886 -17.604 1.00 13.96 C ATOM 0 HA PRO B 58 -9.626 16.069 -17.340 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.152 18.045 -19.212 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.525 16.361 -19.522 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.407 18.613 -18.859 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.729 17.148 -19.765 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.470 17.592 -17.050 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.485 16.036 -17.856 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.561 17.987 -16.276 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.934 19.134 -15.560 1.00 15.08 C ATOM 2293 C GLY B 59 -6.750 18.631 -14.732 1.00 14.96 C ATOM 2294 O GLY B 59 -6.479 17.450 -14.680 1.00 13.79 O ATOM 0 H GLY B 59 -7.957 17.176 -16.409 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.598 19.884 -16.276 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.666 19.616 -14.912 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.045 19.517 -14.080 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.888 19.085 -13.249 1.00 14.53 C ATOM 2300 C LEU B 60 -5.415 18.418 -11.981 1.00 14.15 C ATOM 2301 O LEU B 60 -6.453 18.786 -11.472 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.051 20.307 -12.866 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.888 20.453 -13.843 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.387 21.089 -15.142 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.808 21.341 -13.220 1.00 15.01 C ATOM 0 H LEU B 60 -6.222 20.521 -14.088 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.270 18.385 -13.811 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.669 21.205 -12.883 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.674 20.199 -11.849 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.470 19.470 -14.060 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.556 21.193 -15.839 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -4.155 20.456 -15.585 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -3.806 22.072 -14.928 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.977 21.446 -13.917 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.226 22.324 -13.003 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.451 20.886 -12.296 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.722 17.441 -11.462 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.220 16.778 -10.232 1.00 9.57 C ATOM 2319 C TYR B 61 -4.123 16.641 -9.198 1.00 11.76 C ATOM 2320 O TYR B 61 -2.948 16.744 -9.481 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.761 15.393 -10.563 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.180 15.544 -11.024 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.447 16.097 -12.277 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.228 15.156 -10.183 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -8.768 16.264 -12.694 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.548 15.320 -10.600 1.00 13.03 C ATOM 2327 CZ TYR B 61 -9.816 15.875 -11.854 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.121 16.034 -12.268 1.00 14.61 O ATOM 0 H TYR B 61 -3.844 17.079 -11.834 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.015 17.401 -9.822 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.157 14.924 -11.339 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.712 14.746 -9.687 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.634 16.395 -12.922 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.015 14.731 -9.213 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -8.980 16.692 -13.662 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.361 15.019 -9.956 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.161 15.991 -13.246 1.00 14.61 H new ATOM 2338 N THR B 62 -4.525 16.383 -7.996 1.00 12.22 N ATOM 2339 CA THR B 62 -3.564 16.194 -6.896 1.00 14.26 C ATOM 2340 C THR B 62 -4.173 15.168 -5.968 1.00 15.40 C ATOM 2341 O THR B 62 -5.264 15.343 -5.461 1.00 16.24 O ATOM 2342 CB THR B 62 -3.341 17.502 -6.148 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.495 17.813 -5.380 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.072 18.617 -7.154 1.00 11.61 C ATOM 0 H THR B 62 -5.504 16.293 -7.726 1.00 12.22 H new ATOM 0 HA THR B 62 -2.597 15.866 -7.277 1.00 14.26 H new ATOM 0 HB THR B 62 -2.485 17.402 -5.481 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.866 16.990 -4.999 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.912 19.555 -6.623 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.184 18.374 -7.738 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.928 18.719 -7.821 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.505 14.089 -5.761 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.084 13.050 -4.885 1.00 15.17 C ATOM 2354 C VAL B 63 -4.556 13.704 -3.592 1.00 14.24 C ATOM 2355 O VAL B 63 -4.266 14.853 -3.321 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.048 11.975 -4.592 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -3.747 10.759 -3.990 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.357 11.570 -5.901 1.00 18.64 C ATOM 0 H VAL B 63 -2.588 13.877 -6.155 1.00 14.65 H new ATOM 0 HA VAL B 63 -4.931 12.577 -5.382 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.306 12.356 -3.890 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.010 9.984 -3.777 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.247 11.048 -3.066 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.483 10.376 -4.697 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.613 10.800 -5.697 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.099 11.182 -6.599 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -1.867 12.440 -6.338 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.293 12.990 -2.802 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.803 13.572 -1.532 1.00 10.78 C ATOM 2370 C HIS B 64 -5.611 12.557 -0.404 1.00 14.19 C ATOM 2371 O HIS B 64 -6.071 11.432 -0.486 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.292 13.894 -1.684 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.689 14.965 -0.702 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.035 15.142 0.507 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.687 15.909 -0.729 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.643 16.150 1.155 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.656 16.656 0.446 1.00 20.65 N ATOM 0 H HIS B 64 -5.568 12.024 -2.978 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.257 14.486 -1.298 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.499 14.227 -2.701 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -7.886 12.996 -1.515 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.388 16.050 -1.538 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.349 16.508 2.131 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.274 17.424 0.709 1.00 20.65 H new ATOM 2385 N LEU B 65 -4.938 12.939 0.649 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.721 11.995 1.776 1.00 14.44 C ATOM 2387 C LEU B 65 -6.055 11.722 2.480 1.00 12.66 C ATOM 2388 O LEU B 65 -6.141 10.897 3.368 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.687 12.592 2.749 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.362 13.388 3.859 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.197 12.642 5.186 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.716 14.768 3.964 1.00 19.03 C ATOM 0 H LEU B 65 -4.530 13.865 0.774 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.334 11.047 1.403 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.091 11.791 3.185 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.001 13.238 2.202 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.422 13.504 3.634 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.678 13.208 5.984 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.659 11.657 5.110 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.136 12.529 5.410 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.200 15.337 4.758 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.656 14.657 4.191 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.831 15.297 3.018 1.00 19.03 H new ATOM 2404 N SER B 66 -7.100 12.403 2.085 1.00 13.51 N ATOM 2405 CA SER B 66 -8.418 12.170 2.728 1.00 10.39 C ATOM 2406 C SER B 66 -8.753 10.687 2.610 1.00 8.56 C ATOM 2407 O SER B 66 -9.594 10.168 3.317 1.00 11.70 O ATOM 2408 CB SER B 66 -9.490 12.996 2.017 1.00 12.88 C ATOM 2409 OG SER B 66 -10.732 12.832 2.689 1.00 14.72 O ATOM 0 H SER B 66 -7.093 13.107 1.347 1.00 13.51 H new ATOM 0 HA SER B 66 -8.382 12.466 3.776 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.206 14.048 2.005 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.581 12.678 0.978 1.00 12.88 H new ATOM 0 HG SER B 66 -11.421 13.362 2.236 1.00 14.72 H new ATOM 2415 N SER B 67 -8.099 10.002 1.711 1.00 7.98 N ATOM 2416 CA SER B 67 -8.376 8.553 1.534 1.00 8.20 C ATOM 2417 C SER B 67 -7.289 7.719 2.221 1.00 11.02 C ATOM 2418 O SER B 67 -7.374 6.508 2.281 1.00 11.45 O ATOM 2419 CB SER B 67 -8.401 8.218 0.048 1.00 8.01 C ATOM 2420 OG SER B 67 -9.542 7.417 -0.233 1.00 11.22 O ATOM 0 H SER B 67 -7.385 10.386 1.092 1.00 7.98 H new ATOM 0 HA SER B 67 -9.342 8.321 1.982 1.00 8.20 H new ATOM 0 HB2 SER B 67 -8.431 9.134 -0.543 1.00 8.01 H new ATOM 0 HB3 SER B 67 -7.491 7.687 -0.232 1.00 8.01 H new ATOM 0 HG SER B 67 -9.295 6.703 -0.857 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.262 8.346 2.731 1.00 10.09 N ATOM 2427 CA PHE B 68 -5.177 7.572 3.395 1.00 11.79 C ATOM 2428 C PHE B 68 -5.670 7.103 4.764 1.00 12.69 C ATOM 2429 O PHE B 68 -6.587 7.666 5.328 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.938 8.461 3.564 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.519 9.041 2.227 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.225 8.733 1.050 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.437 9.924 2.174 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.844 9.310 -0.165 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.061 10.504 0.959 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.766 10.198 -0.208 1.00 11.87 C ATOM 0 H PHE B 68 -6.129 9.357 2.716 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.912 6.708 2.785 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -4.153 9.267 4.266 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -3.120 7.879 3.988 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -5.061 8.051 1.085 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.890 10.159 3.075 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.382 9.070 -1.070 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.226 11.188 0.922 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.477 10.649 -1.146 1.00 11.87 H new ATOM 2446 N LYS B 69 -5.078 6.075 5.302 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.531 5.576 6.631 1.00 15.38 C ATOM 2448 C LYS B 69 -4.337 5.030 7.414 1.00 15.02 C ATOM 2449 O LYS B 69 -3.282 4.782 6.865 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.565 4.461 6.438 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.319 4.680 5.123 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.345 3.563 4.926 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.319 3.956 3.812 1.00 30.24 C ATOM 2454 NZ LYS B 69 -10.545 3.114 3.903 1.00 32.70 N ATOM 0 H LYS B 69 -4.304 5.560 4.883 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.982 6.399 7.186 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.070 3.490 6.427 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.265 4.452 7.273 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.819 5.648 5.136 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -6.618 4.695 4.288 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -7.840 2.632 4.670 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -8.889 3.386 5.854 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.582 5.010 3.900 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -8.847 3.825 2.838 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -11.207 3.381 3.146 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -10.286 2.112 3.799 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -10.999 3.260 4.827 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.499 4.838 8.694 1.00 13.65 N ATOM 2469 CA VAL B 70 -3.378 4.305 9.517 1.00 13.49 C ATOM 2470 C VAL B 70 -3.730 2.894 9.991 1.00 11.85 C ATOM 2471 O VAL B 70 -4.623 2.702 10.791 1.00 12.13 O ATOM 2472 CB VAL B 70 -3.145 5.201 10.733 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.649 5.261 11.041 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.666 6.615 10.455 1.00 15.63 C ATOM 0 H VAL B 70 -5.361 5.028 9.206 1.00 13.65 H new ATOM 0 HA VAL B 70 -2.471 4.281 8.913 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.681 4.787 11.587 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.481 5.900 11.908 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -1.281 4.257 11.253 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -1.117 5.669 10.182 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.495 7.244 11.328 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -3.141 7.034 9.597 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.734 6.574 10.242 1.00 15.63 H new ATOM 2484 N GLY B 71 -3.034 1.905 9.504 1.00 11.15 N ATOM 2485 CA GLY B 71 -3.330 0.507 9.926 1.00 11.07 C ATOM 2486 C GLY B 71 -2.463 0.144 11.132 1.00 12.15 C ATOM 2487 O GLY B 71 -1.717 0.959 11.639 1.00 12.70 O ATOM 0 H GLY B 71 -2.273 2.004 8.832 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -4.385 0.408 10.180 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -3.135 -0.181 9.104 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.551 -1.073 11.598 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.729 -1.479 12.769 1.00 19.42 C ATOM 2493 C GLN B 72 -0.396 -2.046 12.280 1.00 16.97 C ATOM 2494 O GLN B 72 0.270 -2.793 12.969 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.484 -2.535 13.581 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.589 -3.057 14.706 1.00 25.29 C ATOM 2497 CD GLN B 72 -1.136 -4.482 14.382 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -0.891 -5.270 15.273 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -1.014 -4.851 13.134 1.00 25.15 N ATOM 0 H GLN B 72 -3.156 -1.801 11.218 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.538 -0.613 13.403 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -3.395 -2.105 13.998 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -2.787 -3.357 12.933 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -0.722 -2.407 14.826 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -2.131 -3.043 15.652 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -1.219 -4.190 12.384 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -0.713 -5.800 12.910 1.00 25.15 H new ATOM 2508 N PHE B 73 -0.004 -1.687 11.095 1.00 14.56 N ATOM 2509 CA PHE B 73 1.286 -2.190 10.544 1.00 14.60 C ATOM 2510 C PHE B 73 2.414 -1.236 10.942 1.00 15.63 C ATOM 2511 O PHE B 73 3.579 -1.572 10.870 1.00 17.80 O ATOM 2512 CB PHE B 73 1.195 -2.259 9.017 1.00 12.63 C ATOM 2513 CG PHE B 73 1.164 -3.703 8.575 1.00 14.99 C ATOM 2514 CD1 PHE B 73 2.356 -4.432 8.479 1.00 16.27 C ATOM 2515 CD2 PHE B 73 -0.056 -4.313 8.259 1.00 19.79 C ATOM 2516 CE1 PHE B 73 2.328 -5.769 8.067 1.00 20.44 C ATOM 2517 CE2 PHE B 73 -0.084 -5.651 7.848 1.00 18.68 C ATOM 2518 CZ PHE B 73 1.108 -6.379 7.751 1.00 17.88 C ATOM 0 H PHE B 73 -0.523 -1.063 10.477 1.00 14.56 H new ATOM 0 HA PHE B 73 1.490 -3.184 10.943 1.00 14.60 H new ATOM 0 HB2 PHE B 73 0.298 -1.744 8.673 1.00 12.63 H new ATOM 0 HB3 PHE B 73 2.048 -1.749 8.569 1.00 12.63 H new ATOM 0 HD1 PHE B 73 3.297 -3.962 8.723 1.00 16.27 H new ATOM 0 HD2 PHE B 73 -0.976 -3.751 8.332 1.00 19.79 H new ATOM 0 HE1 PHE B 73 3.248 -6.330 7.993 1.00 20.44 H new ATOM 0 HE2 PHE B 73 -1.025 -6.122 7.606 1.00 18.68 H new ATOM 0 HZ PHE B 73 1.086 -7.411 7.433 1.00 17.88 H new ATOM 2528 N GLY B 74 2.075 -0.047 11.363 1.00 13.82 N ATOM 2529 CA GLY B 74 3.126 0.930 11.766 1.00 13.44 C ATOM 2530 C GLY B 74 3.540 1.769 10.556 1.00 10.42 C ATOM 2531 O GLY B 74 4.652 2.252 10.475 1.00 13.62 O ATOM 0 H GLY B 74 1.116 0.289 11.445 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.750 1.577 12.558 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.991 0.403 12.169 1.00 13.44 H new ATOM 2535 N SER B 75 2.657 1.948 9.613 1.00 12.64 N ATOM 2536 CA SER B 75 3.005 2.756 8.411 1.00 12.47 C ATOM 2537 C SER B 75 1.723 3.216 7.714 1.00 12.47 C ATOM 2538 O SER B 75 0.878 2.418 7.360 1.00 11.32 O ATOM 2539 CB SER B 75 3.831 1.903 7.447 1.00 11.21 C ATOM 2540 OG SER B 75 5.107 1.648 8.019 1.00 18.27 O ATOM 0 H SER B 75 1.710 1.570 9.623 1.00 12.64 H new ATOM 0 HA SER B 75 3.584 3.628 8.715 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.317 0.964 7.243 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.944 2.418 6.493 1.00 11.21 H new ATOM 0 HG SER B 75 5.179 2.113 8.879 1.00 18.27 H new ATOM 2546 N LEU B 76 1.570 4.497 7.514 1.00 12.43 N ATOM 2547 CA LEU B 76 0.342 5.003 6.840 1.00 12.18 C ATOM 2548 C LEU B 76 0.066 4.163 5.592 1.00 12.07 C ATOM 2549 O LEU B 76 0.878 3.356 5.185 1.00 9.82 O ATOM 2550 CB LEU B 76 0.546 6.465 6.437 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.654 7.292 6.899 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.592 7.477 8.417 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.621 8.661 6.214 1.00 7.80 C ATOM 0 H LEU B 76 2.242 5.214 7.788 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.505 4.931 7.523 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.462 6.852 6.883 1.00 11.99 H new ATOM 0 HB3 LEU B 76 0.661 6.543 5.356 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.577 6.775 6.635 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.447 8.067 8.747 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.614 6.502 8.904 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.330 7.994 8.683 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.476 9.253 6.542 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.301 9.178 6.479 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.665 8.528 5.133 1.00 7.80 H new ATOM 2565 N MET B 77 -1.073 4.344 4.979 1.00 14.08 N ATOM 2566 CA MET B 77 -1.394 3.552 3.759 1.00 14.12 C ATOM 2567 C MET B 77 -2.535 4.227 2.996 1.00 11.37 C ATOM 2568 O MET B 77 -3.654 4.302 3.465 1.00 11.44 O ATOM 2569 CB MET B 77 -1.814 2.138 4.163 1.00 16.48 C ATOM 2570 CG MET B 77 -0.566 1.288 4.407 1.00 24.75 C ATOM 2571 SD MET B 77 -0.802 -0.355 3.686 1.00 35.11 S ATOM 2572 CE MET B 77 -0.502 -1.310 5.194 1.00 33.86 C ATOM 0 H MET B 77 -1.793 5.005 5.270 1.00 14.08 H new ATOM 0 HA MET B 77 -0.513 3.499 3.119 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.426 2.172 5.064 1.00 16.48 H new ATOM 0 HB3 MET B 77 -2.425 1.690 3.379 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.306 1.769 3.964 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.375 1.203 5.477 1.00 24.75 H new ATOM 0 HE1 MET B 77 -0.598 -2.374 4.976 1.00 33.86 H new ATOM 0 HE2 MET B 77 0.504 -1.104 5.561 1.00 33.86 H new ATOM 0 HE3 MET B 77 -1.230 -1.028 5.954 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.254 4.722 1.825 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.310 5.403 1.020 1.00 11.62 C ATOM 2584 C ILE B 78 -4.614 4.607 1.078 1.00 11.45 C ATOM 2585 O ILE B 78 -5.690 5.167 1.158 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.835 5.530 -0.436 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -1.942 6.766 -0.565 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.032 5.675 -1.384 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.762 6.451 -1.486 1.00 13.67 C ATOM 0 H ILE B 78 -1.334 4.685 1.386 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.492 6.396 1.431 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.280 4.631 -0.705 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.516 7.602 -0.965 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.579 7.069 0.417 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.675 5.764 -2.410 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.673 4.798 -1.297 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.600 6.567 -1.119 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.127 7.332 -1.577 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.183 5.628 -1.067 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.134 6.169 -2.471 1.00 13.67 H new ATOM 2601 N ASP B 79 -4.531 3.314 1.021 1.00 10.05 N ATOM 2602 CA ASP B 79 -5.773 2.491 1.053 1.00 14.79 C ATOM 2603 C ASP B 79 -6.785 3.109 0.088 1.00 15.20 C ATOM 2604 O ASP B 79 -7.891 3.446 0.460 1.00 18.10 O ATOM 2605 CB ASP B 79 -6.347 2.494 2.464 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.036 1.157 2.742 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -8.150 0.980 2.278 1.00 21.87 O ATOM 2608 OD2 ASP B 79 -6.437 0.333 3.413 1.00 24.06 O ATOM 0 H ASP B 79 -3.660 2.787 0.954 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.553 1.464 0.760 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -5.552 2.662 3.190 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -7.059 3.312 2.576 1.00 12.21 H new ATOM 2613 N ARG B 80 -6.391 3.277 -1.142 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.288 3.896 -2.163 1.00 17.14 C ATOM 2615 C ARG B 80 -7.253 5.412 -1.990 1.00 14.98 C ATOM 2616 O ARG B 80 -8.035 5.982 -1.260 1.00 16.47 O ATOM 2617 CB ARG B 80 -8.722 3.389 -1.997 1.00 17.78 C ATOM 2618 CG ARG B 80 -9.542 3.802 -3.219 1.00 22.76 C ATOM 2619 CD ARG B 80 -9.736 2.600 -4.142 1.00 28.43 C ATOM 2620 NE ARG B 80 -8.911 2.780 -5.378 1.00 33.10 N ATOM 2621 CZ ARG B 80 -8.940 3.900 -6.056 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -9.828 4.822 -5.790 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -8.109 4.073 -7.048 1.00 35.04 N ATOM 0 H ARG B 80 -5.471 3.008 -1.491 1.00 17.08 H new ATOM 0 HA ARG B 80 -6.943 3.624 -3.160 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -8.727 2.304 -1.889 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.164 3.802 -1.090 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -10.511 4.190 -2.904 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.035 4.605 -3.754 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -9.446 1.683 -3.629 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -10.788 2.497 -4.406 1.00 28.43 H new ATOM 0 HE ARG B 80 -8.315 2.016 -5.698 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -10.510 4.674 -5.046 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -9.839 5.690 -6.326 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -7.444 3.339 -7.290 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -8.125 4.942 -7.581 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.330 6.058 -2.645 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.198 7.532 -2.518 1.00 11.27 C ATOM 2639 C LEU B 81 -7.425 8.251 -3.088 1.00 15.61 C ATOM 2640 O LEU B 81 -8.144 7.730 -3.918 1.00 18.56 O ATOM 2641 CB LEU B 81 -4.946 7.988 -3.266 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.221 8.039 -4.769 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -3.917 8.344 -5.509 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -5.765 6.683 -5.238 1.00 18.72 C ATOM 0 H LEU B 81 -5.654 5.620 -3.270 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.119 7.783 -1.460 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.639 8.972 -2.911 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.122 7.304 -3.062 1.00 13.62 H new ATOM 0 HG LEU B 81 -5.955 8.817 -4.979 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.108 8.381 -6.582 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.526 9.305 -5.176 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.187 7.563 -5.297 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -5.961 6.720 -6.310 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.031 5.905 -5.030 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -6.691 6.459 -4.708 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.647 9.461 -2.657 1.00 13.37 N ATOM 2657 CA ARG B 82 -8.800 10.250 -3.176 1.00 12.72 C ATOM 2658 C ARG B 82 -8.252 11.337 -4.104 1.00 13.33 C ATOM 2659 O ARG B 82 -7.720 12.332 -3.660 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.546 10.897 -2.006 1.00 13.85 C ATOM 2661 CG ARG B 82 -10.504 11.966 -2.535 1.00 16.22 C ATOM 2662 CD ARG B 82 -11.678 12.120 -1.568 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.031 13.562 -1.440 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.174 13.913 -0.914 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.016 13.004 -0.501 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -13.477 15.178 -0.802 1.00 16.89 N ATOM 0 H ARG B 82 -7.075 9.941 -1.962 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.490 9.604 -3.718 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -10.101 10.140 -1.452 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -8.835 11.344 -1.311 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -9.981 12.916 -2.644 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -10.867 11.687 -3.524 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.537 11.555 -1.930 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.415 11.711 -0.592 1.00 16.62 H new ATOM 0 HE ARG B 82 -11.379 14.276 -1.764 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.782 12.015 -0.588 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.907 13.283 -0.091 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -12.822 15.890 -1.125 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.369 15.454 -0.392 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.347 11.142 -5.390 1.00 13.53 N ATOM 2681 CA LEU B 83 -7.794 12.156 -6.335 1.00 13.86 C ATOM 2682 C LEU B 83 -8.693 13.389 -6.409 1.00 13.02 C ATOM 2683 O LEU B 83 -9.899 13.313 -6.290 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.677 11.553 -7.733 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.250 11.717 -8.253 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.224 11.399 -9.750 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -5.793 13.162 -8.034 1.00 10.58 C ATOM 0 H LEU B 83 -8.781 10.329 -5.827 1.00 13.53 H new ATOM 0 HA LEU B 83 -6.812 12.453 -5.967 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -7.944 10.497 -7.706 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.378 12.042 -8.409 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.583 11.039 -7.720 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.208 11.514 -10.129 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.557 10.374 -9.910 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -6.888 12.083 -10.279 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -4.775 13.282 -8.404 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.457 13.839 -8.572 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -5.822 13.395 -6.970 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.095 14.528 -6.616 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.865 15.787 -6.721 1.00 12.86 C ATOM 2701 C VAL B 84 -8.129 16.716 -7.693 1.00 14.98 C ATOM 2702 O VAL B 84 -6.933 16.598 -7.861 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.930 16.433 -5.340 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.633 15.487 -4.366 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.509 16.716 -4.843 1.00 17.34 C ATOM 0 H VAL B 84 -7.086 14.636 -6.718 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.876 15.599 -7.082 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.487 17.368 -5.402 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.679 15.949 -3.380 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.644 15.286 -4.720 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.078 14.551 -4.303 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.554 17.178 -3.857 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -6.952 15.781 -4.781 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.009 17.391 -5.537 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.852 17.623 -8.294 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.269 18.591 -9.237 1.00 22.41 C ATOM 2717 C PRO B 85 -7.277 19.510 -8.510 1.00 25.70 C ATOM 2718 O PRO B 85 -7.468 19.859 -7.362 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.480 19.343 -9.791 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.612 19.120 -8.777 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.298 17.784 -8.081 1.00 20.63 C ATOM 0 HA PRO B 85 -7.692 18.130 -10.038 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.262 20.405 -9.906 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.757 18.966 -10.776 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.656 19.936 -8.055 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.581 19.083 -9.275 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.547 17.815 -7.020 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.863 16.960 -8.518 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.208 19.885 -9.164 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.191 20.757 -8.508 1.00 39.94 C ATOM 2731 C ALA B 86 -5.742 22.177 -8.376 1.00 46.96 C ATOM 2732 O ALA B 86 -6.206 22.765 -9.333 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.914 20.774 -9.356 1.00 39.70 C ATOM 0 H ALA B 86 -5.996 19.624 -10.127 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.962 20.368 -7.516 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.169 21.411 -8.879 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.522 19.761 -9.444 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.141 21.163 -10.349 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.696 22.731 -7.196 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.218 24.114 -6.996 1.00 55.12 C ATOM 2741 C LYS B 87 -5.764 25.004 -8.154 1.00 55.82 C ATOM 2742 O LYS B 87 -6.574 25.781 -8.632 1.00 58.05 O ATOM 2743 CB LYS B 87 -5.680 24.679 -5.679 1.00 52.96 C ATOM 2744 CG LYS B 87 -6.427 24.045 -4.502 1.00 55.49 C ATOM 2745 CD LYS B 87 -7.685 24.857 -4.195 1.00 56.64 C ATOM 2746 CE LYS B 87 -8.355 24.302 -2.937 1.00 58.91 C ATOM 2747 NZ LYS B 87 -8.867 22.929 -3.210 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.613 24.893 -8.545 1.00 57.66 O ATOM 0 H LYS B 87 -5.319 22.285 -6.360 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.307 24.088 -6.962 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -4.612 24.478 -5.595 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -5.803 25.762 -5.659 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -6.696 23.016 -4.741 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -5.781 24.011 -3.625 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -7.427 25.906 -4.050 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -8.375 24.812 -5.038 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -7.642 24.278 -2.113 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -9.174 24.953 -2.631 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -9.533 22.652 -2.461 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -9.354 22.917 -4.129 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -8.071 22.260 -3.231 1.00 58.16 H new TER 2762 LYS B 87