USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1197 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 6 LYS NZ :NH3+ -179:sc= 1.27 (180deg=0.0627) USER MOD Set 1.2: B 12 THR OG1 : rot 160:sc= 1.05 USER MOD Set 2.1: A 55 THR OG1 : rot -64:sc= 1.76 USER MOD Set 2.2: A 57 SER OG : rot 61:sc= 0.626 USER MOD Set 3.1: A 25 ASN : amide:sc= 1.14 K(o=2.4,f=-0.17!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -118:sc= 1.22 (180deg=-0.059) USER MOD Set 4.1: A 7 THR OG1 : rot 47:sc= 1.23 USER MOD Set 4.2: A 9 THR OG1 : rot -150:sc= 0.07 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.049 (180deg=-0.104) USER MOD Single : A 1 MET N :NH3+ 168:sc= 2.57 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= 1.13 K(o=1.1,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.26 (180deg=0.721) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.964 USER MOD Single : A 14 THR OG1 : rot -95:sc= 0.0477 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0669 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.05 (180deg=0.766) USER MOD Single : A 31 GLN : amide:sc= -0.29 K(o=-0.29,f=-1.4!) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0619 (180deg=-0.333) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.722 K(o=-0.72,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.41 K(o=1.4,f=-4.1!) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.389 USER MOD Single : A 60 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0923 (180deg=-0.422) USER MOD Single : A 65 SER OG : rot -130:sc= 0.0739 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.33) USER MOD Single : B 1 MET CE :methyl -168:sc= 0 (180deg=-0.161) USER MOD Single : B 1 MET N :NH3+ 166:sc= 1.66 (180deg=1.43) USER MOD Single : B 2 GLN : amide:sc= 1.2 K(o=1.2,f=-0.33) USER MOD Single : B 7 THR OG1 : rot -66:sc= 0.79 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.0831 USER MOD Single : B 11 LYS NZ :NH3+ -169:sc= 1.18 (180deg=1.08) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0.0904 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.00783 USER MOD Single : B 25 ASN : amide:sc= 0.8 K(o=0.8,f=-0.71) USER MOD Single : B 27 LYS NZ :NH3+ 134:sc= 1.16 (180deg=0.185!) USER MOD Single : B 29 LYS NZ :NH3+ 158:sc= 2.44 (180deg=1.61) USER MOD Single : B 31 GLN : amide:sc= -0.436 K(o=-0.44,f=-1.3) USER MOD Single : B 33 LYS NZ :NH3+ -162:sc= -0.0524 (180deg=-0.363) USER MOD Single : B 40 GLN : amide:sc= 0.615 K(o=0.61,f=-0.39) USER MOD Single : B 41 GLN : amide:sc= 0.945 K(o=0.94,f=-3.8) USER MOD Single : B 48 LYS NZ :NH3+ -179:sc= -0.18 (180deg=-0.187) USER MOD Single : B 49 GLN : amide:sc= -1.53 K(o=-1.5,f=-6.2!) USER MOD Single : B 55 THR OG1 : rot -57:sc= 0.984 USER MOD Single : B 57 SER OG : rot 71:sc= 1.22 USER MOD Single : B 59 TYR OH : rot 70:sc= 1 USER MOD Single : B 60 ASN :FLIP amide:sc= -0.144 F(o=-0.84,f=-0.14) USER MOD Single : B 62 GLN : amide:sc=-0.00719 K(o=-0.0072,f=-1) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 122:sc= 0.872 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.031 23.021 7.007 1.00 0.86 N ATOM 2 CA MET A 1 -4.373 22.404 7.040 1.00 0.85 C ATOM 3 C MET A 1 -4.321 21.065 7.762 1.00 0.82 C ATOM 4 O MET A 1 -3.327 20.343 7.683 1.00 0.77 O ATOM 5 CB MET A 1 -4.928 22.229 5.622 1.00 0.81 C ATOM 6 CG MET A 1 -4.144 21.257 4.755 1.00 0.73 C ATOM 7 SD MET A 1 -4.807 21.135 3.080 1.00 0.79 S ATOM 8 CE MET A 1 -3.751 19.860 2.391 1.00 0.71 C ATOM 0 H1 MET A 1 -3.034 23.823 6.345 1.00 0.86 H new ATOM 0 H2 MET A 1 -2.780 23.358 7.959 1.00 0.86 H new ATOM 0 H3 MET A 1 -2.333 22.317 6.694 1.00 0.86 H new ATOM 0 HA MET A 1 -5.043 23.069 7.586 1.00 0.85 H new ATOM 0 HB2 MET A 1 -5.960 21.885 5.689 1.00 0.81 H new ATOM 0 HB3 MET A 1 -4.947 23.201 5.130 1.00 0.81 H new ATOM 0 HG2 MET A 1 -3.103 21.576 4.708 1.00 0.73 H new ATOM 0 HG3 MET A 1 -4.155 20.271 5.219 1.00 0.73 H new ATOM 0 HE1 MET A 1 -3.940 19.770 1.321 1.00 0.71 H new ATOM 0 HE2 MET A 1 -2.706 20.125 2.554 1.00 0.71 H new ATOM 0 HE3 MET A 1 -3.964 18.909 2.878 1.00 0.71 H new ATOM 20 N GLN A 2 -5.398 20.748 8.462 1.00 0.85 N ATOM 21 CA GLN A 2 -5.494 19.514 9.225 1.00 0.84 C ATOM 22 C GLN A 2 -5.812 18.322 8.325 1.00 0.75 C ATOM 23 O GLN A 2 -6.675 18.402 7.449 1.00 0.76 O ATOM 24 CB GLN A 2 -6.568 19.671 10.304 1.00 0.95 C ATOM 25 CG GLN A 2 -6.906 18.387 11.040 1.00 1.04 C ATOM 26 CD GLN A 2 -7.819 18.626 12.226 1.00 1.15 C ATOM 27 OE1 GLN A 2 -7.359 18.804 13.356 1.00 1.32 O ATOM 28 NE2 GLN A 2 -9.118 18.641 11.983 1.00 1.48 N ATOM 0 H GLN A 2 -6.229 21.337 8.517 1.00 0.85 H new ATOM 0 HA GLN A 2 -4.529 19.319 9.693 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -6.233 20.414 11.028 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -7.475 20.062 9.843 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -7.384 17.691 10.351 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -5.986 17.914 11.383 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -9.461 18.490 11.034 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -9.777 18.804 12.744 1.00 1.48 H new ATOM 37 N ILE A 3 -5.113 17.216 8.560 1.00 0.67 N ATOM 38 CA ILE A 3 -5.305 15.986 7.800 1.00 0.59 C ATOM 39 C ILE A 3 -5.192 14.798 8.745 1.00 0.56 C ATOM 40 O ILE A 3 -4.578 14.906 9.810 1.00 0.59 O ATOM 41 CB ILE A 3 -4.276 15.807 6.657 1.00 0.52 C ATOM 42 CG1 ILE A 3 -2.848 15.839 7.206 1.00 0.51 C ATOM 43 CG2 ILE A 3 -4.465 16.868 5.581 1.00 0.54 C ATOM 44 CD1 ILE A 3 -1.846 15.129 6.323 1.00 0.44 C ATOM 0 H ILE A 3 -4.397 17.147 9.283 1.00 0.67 H new ATOM 0 HA ILE A 3 -6.292 16.046 7.342 1.00 0.59 H new ATOM 0 HB ILE A 3 -4.445 14.832 6.200 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -2.539 16.877 7.331 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -2.837 15.381 8.195 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -3.730 16.719 4.790 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -5.469 16.788 5.163 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -4.332 17.858 6.018 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -0.855 15.191 6.774 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -2.131 14.082 6.218 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -1.828 15.601 5.341 1.00 0.44 H new ATOM 56 N PHE A 4 -5.773 13.674 8.357 1.00 0.54 N ATOM 57 CA PHE A 4 -5.743 12.476 9.186 1.00 0.55 C ATOM 58 C PHE A 4 -5.139 11.307 8.423 1.00 0.53 C ATOM 59 O PHE A 4 -5.638 10.914 7.371 1.00 0.56 O ATOM 60 CB PHE A 4 -7.156 12.108 9.652 1.00 0.59 C ATOM 61 CG PHE A 4 -7.728 13.058 10.664 1.00 0.73 C ATOM 62 CD1 PHE A 4 -8.389 14.208 10.263 1.00 0.96 C ATOM 63 CD2 PHE A 4 -7.604 12.798 12.019 1.00 0.79 C ATOM 64 CE1 PHE A 4 -8.915 15.082 11.194 1.00 1.11 C ATOM 65 CE2 PHE A 4 -8.128 13.668 12.954 1.00 0.98 C ATOM 66 CZ PHE A 4 -8.785 14.812 12.542 1.00 1.08 C ATOM 0 H PHE A 4 -6.271 13.564 7.474 1.00 0.54 H new ATOM 0 HA PHE A 4 -5.123 12.688 10.057 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -7.817 12.074 8.786 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -7.138 11.105 10.079 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -8.494 14.423 9.210 1.00 0.96 H new ATOM 0 HD2 PHE A 4 -7.092 11.905 12.347 1.00 0.79 H new ATOM 0 HE1 PHE A 4 -9.427 15.975 10.868 1.00 1.11 H new ATOM 0 HE2 PHE A 4 -8.025 13.455 14.008 1.00 0.98 H new ATOM 0 HZ PHE A 4 -9.196 15.493 13.273 1.00 1.08 H new ATOM 76 N VAL A 5 -4.060 10.753 8.945 1.00 0.53 N ATOM 77 CA VAL A 5 -3.409 9.620 8.312 1.00 0.54 C ATOM 78 C VAL A 5 -3.611 8.374 9.165 1.00 0.57 C ATOM 79 O VAL A 5 -3.017 8.240 10.236 1.00 0.62 O ATOM 80 CB VAL A 5 -1.898 9.863 8.108 1.00 0.54 C ATOM 81 CG1 VAL A 5 -1.267 8.721 7.328 1.00 0.60 C ATOM 82 CG2 VAL A 5 -1.658 11.190 7.404 1.00 0.49 C ATOM 0 H VAL A 5 -3.615 11.069 9.807 1.00 0.53 H new ATOM 0 HA VAL A 5 -3.861 9.484 7.330 1.00 0.54 H new ATOM 0 HB VAL A 5 -1.426 9.905 9.090 1.00 0.54 H new ATOM 0 HG11 VAL A 5 -0.202 8.915 7.197 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -1.401 7.788 7.876 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -1.744 8.640 6.351 1.00 0.60 H new ATOM 0 HG21 VAL A 5 -0.587 11.342 7.270 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -2.148 11.179 6.430 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -2.067 12.001 8.007 1.00 0.49 H new ATOM 92 N LYS A 6 -4.478 7.484 8.709 1.00 0.58 N ATOM 93 CA LYS A 6 -4.766 6.258 9.435 1.00 0.61 C ATOM 94 C LYS A 6 -4.033 5.073 8.826 1.00 0.57 C ATOM 95 O LYS A 6 -4.211 4.756 7.647 1.00 0.56 O ATOM 96 CB LYS A 6 -6.268 5.971 9.426 1.00 0.68 C ATOM 97 CG LYS A 6 -7.095 6.970 10.212 1.00 0.70 C ATOM 98 CD LYS A 6 -8.580 6.669 10.107 1.00 0.83 C ATOM 99 CE LYS A 6 -8.936 5.340 10.758 1.00 1.43 C ATOM 100 NZ LYS A 6 -10.345 4.955 10.492 1.00 1.82 N ATOM 0 H LYS A 6 -4.996 7.589 7.837 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.424 6.398 10.460 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -6.618 5.958 8.394 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -6.439 4.974 9.833 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -6.792 6.951 11.259 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -6.900 7.977 9.842 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -9.147 7.470 10.582 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -8.873 6.649 9.057 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -8.270 4.562 10.384 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -8.775 5.408 11.834 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -10.549 4.045 10.952 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -10.982 5.685 10.871 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -10.493 4.866 9.466 1.00 1.82 H new ATOM 114 N THR A 7 -3.206 4.422 9.626 1.00 0.59 N ATOM 115 CA THR A 7 -2.482 3.258 9.163 1.00 0.58 C ATOM 116 C THR A 7 -3.423 2.057 9.172 1.00 0.61 C ATOM 117 O THR A 7 -4.414 2.047 9.905 1.00 0.67 O ATOM 118 CB THR A 7 -1.223 2.976 10.023 1.00 0.60 C ATOM 119 OG1 THR A 7 -0.398 1.994 9.389 1.00 1.25 O ATOM 120 CG2 THR A 7 -1.594 2.493 11.412 1.00 0.94 C ATOM 0 H THR A 7 -3.022 4.681 10.595 1.00 0.59 H new ATOM 0 HA THR A 7 -2.131 3.448 8.149 1.00 0.58 H new ATOM 0 HB THR A 7 -0.676 3.914 10.116 1.00 0.60 H new ATOM 0 HG1 THR A 7 -0.288 2.221 8.442 1.00 1.25 H new ATOM 0 HG21 THR A 7 -0.687 2.305 11.986 1.00 0.94 H new ATOM 0 HG22 THR A 7 -2.191 3.254 11.915 1.00 0.94 H new ATOM 0 HG23 THR A 7 -2.171 1.572 11.335 1.00 0.94 H new ATOM 128 N LEU A 8 -3.135 1.061 8.347 1.00 0.63 N ATOM 129 CA LEU A 8 -3.976 -0.131 8.271 1.00 0.69 C ATOM 130 C LEU A 8 -3.923 -0.913 9.581 1.00 0.72 C ATOM 131 O LEU A 8 -4.775 -1.762 9.847 1.00 0.82 O ATOM 132 CB LEU A 8 -3.541 -1.023 7.101 1.00 0.78 C ATOM 133 CG LEU A 8 -4.263 -0.780 5.767 1.00 0.95 C ATOM 134 CD1 LEU A 8 -5.735 -1.142 5.882 1.00 1.58 C ATOM 135 CD2 LEU A 8 -4.102 0.664 5.318 1.00 1.89 C ATOM 0 H LEU A 8 -2.329 1.051 7.722 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.004 0.188 8.101 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -2.471 -0.886 6.943 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -3.690 -2.064 7.388 1.00 0.78 H new ATOM 0 HG LEU A 8 -3.807 -1.422 5.014 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -6.229 -0.963 4.927 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -5.831 -2.194 6.149 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -6.201 -0.528 6.653 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -4.622 0.811 4.371 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -4.525 1.329 6.071 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -3.043 0.889 5.189 1.00 1.89 H new ATOM 147 N THR A 9 -2.915 -0.619 10.393 1.00 0.67 N ATOM 148 CA THR A 9 -2.746 -1.276 11.676 1.00 0.72 C ATOM 149 C THR A 9 -3.695 -0.695 12.730 1.00 0.79 C ATOM 150 O THR A 9 -3.973 -1.334 13.747 1.00 0.93 O ATOM 151 CB THR A 9 -1.293 -1.139 12.157 1.00 0.67 C ATOM 152 OG1 THR A 9 -0.465 -0.751 11.054 1.00 1.02 O ATOM 153 CG2 THR A 9 -0.784 -2.449 12.741 1.00 0.80 C ATOM 0 H THR A 9 -2.199 0.076 10.180 1.00 0.67 H new ATOM 0 HA THR A 9 -2.986 -2.331 11.542 1.00 0.72 H new ATOM 0 HB THR A 9 -1.256 -0.380 12.938 1.00 0.67 H new ATOM 0 HG1 THR A 9 0.439 -1.106 11.183 1.00 1.02 H new ATOM 0 HG21 THR A 9 0.246 -2.323 13.073 1.00 0.80 H new ATOM 0 HG22 THR A 9 -1.406 -2.736 13.589 1.00 0.80 H new ATOM 0 HG23 THR A 9 -0.827 -3.228 11.980 1.00 0.80 H new ATOM 161 N GLY A 10 -4.196 0.517 12.485 1.00 0.77 N ATOM 162 CA GLY A 10 -5.116 1.139 13.423 1.00 0.89 C ATOM 163 C GLY A 10 -4.707 2.541 13.850 1.00 0.91 C ATOM 164 O GLY A 10 -5.556 3.432 13.953 1.00 1.31 O ATOM 0 H GLY A 10 -3.982 1.075 11.658 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -6.107 1.182 12.971 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -5.197 0.509 14.309 1.00 0.89 H new ATOM 168 N LYS A 11 -3.411 2.732 14.099 1.00 0.91 N ATOM 169 CA LYS A 11 -2.872 4.023 14.538 1.00 0.92 C ATOM 170 C LYS A 11 -3.297 5.173 13.618 1.00 0.82 C ATOM 171 O LYS A 11 -3.223 5.073 12.392 1.00 0.78 O ATOM 172 CB LYS A 11 -1.339 3.953 14.615 1.00 0.92 C ATOM 173 CG LYS A 11 -0.681 5.211 15.177 1.00 1.03 C ATOM 174 CD LYS A 11 -0.896 5.348 16.677 1.00 1.32 C ATOM 175 CE LYS A 11 -0.088 4.326 17.462 1.00 1.41 C ATOM 176 NZ LYS A 11 1.344 4.711 17.587 1.00 1.51 N ATOM 0 H LYS A 11 -2.707 2.001 14.003 1.00 0.91 H new ATOM 0 HA LYS A 11 -3.283 4.228 15.527 1.00 0.92 H new ATOM 0 HB2 LYS A 11 -1.056 3.102 15.234 1.00 0.92 H new ATOM 0 HB3 LYS A 11 -0.945 3.766 13.616 1.00 0.92 H new ATOM 0 HG2 LYS A 11 0.388 5.186 14.965 1.00 1.03 H new ATOM 0 HG3 LYS A 11 -1.086 6.088 14.672 1.00 1.03 H new ATOM 0 HD2 LYS A 11 -0.616 6.353 16.994 1.00 1.32 H new ATOM 0 HD3 LYS A 11 -1.955 5.226 16.905 1.00 1.32 H new ATOM 0 HE2 LYS A 11 -0.519 4.212 18.457 1.00 1.41 H new ATOM 0 HE3 LYS A 11 -0.159 3.356 16.971 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 1.925 3.856 17.696 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 1.641 5.225 16.733 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 1.468 5.322 18.419 1.00 1.51 H new ATOM 190 N THR A 12 -3.746 6.257 14.236 1.00 0.80 N ATOM 191 CA THR A 12 -4.185 7.443 13.519 1.00 0.74 C ATOM 192 C THR A 12 -3.392 8.665 13.985 1.00 0.75 C ATOM 193 O THR A 12 -3.088 8.793 15.172 1.00 0.79 O ATOM 194 CB THR A 12 -5.689 7.690 13.755 1.00 0.70 C ATOM 195 OG1 THR A 12 -6.439 6.507 13.427 1.00 0.74 O ATOM 196 CG2 THR A 12 -6.191 8.866 12.928 1.00 0.70 C ATOM 0 H THR A 12 -3.816 6.337 15.250 1.00 0.80 H new ATOM 0 HA THR A 12 -4.012 7.283 12.455 1.00 0.74 H new ATOM 0 HB THR A 12 -5.831 7.930 14.809 1.00 0.70 H new ATOM 0 HG1 THR A 12 -7.393 6.671 13.581 1.00 0.74 H new ATOM 0 HG21 THR A 12 -7.254 9.015 13.116 1.00 0.70 H new ATOM 0 HG22 THR A 12 -5.643 9.766 13.206 1.00 0.70 H new ATOM 0 HG23 THR A 12 -6.035 8.659 11.869 1.00 0.70 H new ATOM 204 N ILE A 13 -3.058 9.556 13.059 1.00 0.77 N ATOM 205 CA ILE A 13 -2.307 10.757 13.398 1.00 0.85 C ATOM 206 C ILE A 13 -2.920 11.983 12.728 1.00 0.75 C ATOM 207 O ILE A 13 -3.501 11.884 11.645 1.00 0.68 O ATOM 208 CB ILE A 13 -0.814 10.653 12.995 1.00 1.03 C ATOM 209 CG1 ILE A 13 -0.678 10.269 11.517 1.00 1.10 C ATOM 210 CG2 ILE A 13 -0.086 9.651 13.883 1.00 1.31 C ATOM 211 CD1 ILE A 13 0.750 10.273 11.014 1.00 1.24 C ATOM 0 H ILE A 13 -3.295 9.469 12.071 1.00 0.77 H new ATOM 0 HA ILE A 13 -2.360 10.859 14.482 1.00 0.85 H new ATOM 0 HB ILE A 13 -0.353 11.630 13.136 1.00 1.03 H new ATOM 0 HG12 ILE A 13 -1.103 9.276 11.368 1.00 1.10 H new ATOM 0 HG13 ILE A 13 -1.267 10.961 10.916 1.00 1.10 H new ATOM 0 HG21 ILE A 13 0.961 9.593 13.584 1.00 1.31 H new ATOM 0 HG22 ILE A 13 -0.149 9.973 14.922 1.00 1.31 H new ATOM 0 HG23 ILE A 13 -0.548 8.669 13.779 1.00 1.31 H new ATOM 0 HD11 ILE A 13 0.766 9.991 9.961 1.00 1.24 H new ATOM 0 HD12 ILE A 13 1.174 11.271 11.129 1.00 1.24 H new ATOM 0 HD13 ILE A 13 1.340 9.560 11.589 1.00 1.24 H new ATOM 223 N THR A 14 -2.787 13.127 13.378 1.00 0.80 N ATOM 224 CA THR A 14 -3.314 14.378 12.859 1.00 0.79 C ATOM 225 C THR A 14 -2.157 15.314 12.523 1.00 0.78 C ATOM 226 O THR A 14 -1.428 15.755 13.411 1.00 0.84 O ATOM 227 CB THR A 14 -4.240 15.063 13.880 1.00 0.91 C ATOM 228 OG1 THR A 14 -4.955 14.079 14.638 1.00 1.31 O ATOM 229 CG2 THR A 14 -5.229 15.983 13.181 1.00 1.07 C ATOM 0 H THR A 14 -2.313 13.215 14.277 1.00 0.80 H new ATOM 0 HA THR A 14 -3.895 14.157 11.964 1.00 0.79 H new ATOM 0 HB THR A 14 -3.621 15.658 14.551 1.00 0.91 H new ATOM 0 HG1 THR A 14 -5.832 13.924 14.228 1.00 1.31 H new ATOM 0 HG21 THR A 14 -5.873 16.456 13.923 1.00 1.07 H new ATOM 0 HG22 THR A 14 -4.685 16.751 12.630 1.00 1.07 H new ATOM 0 HG23 THR A 14 -5.839 15.403 12.488 1.00 1.07 H new ATOM 237 N LEU A 15 -1.987 15.618 11.247 1.00 0.73 N ATOM 238 CA LEU A 15 -0.895 16.482 10.822 1.00 0.75 C ATOM 239 C LEU A 15 -1.408 17.795 10.251 1.00 0.77 C ATOM 240 O LEU A 15 -2.545 17.882 9.785 1.00 0.77 O ATOM 241 CB LEU A 15 -0.030 15.768 9.779 1.00 0.73 C ATOM 242 CG LEU A 15 0.627 14.467 10.248 1.00 0.73 C ATOM 243 CD1 LEU A 15 1.318 13.773 9.084 1.00 0.78 C ATOM 244 CD2 LEU A 15 1.618 14.741 11.368 1.00 0.91 C ATOM 0 H LEU A 15 -2.585 15.283 10.492 1.00 0.73 H new ATOM 0 HA LEU A 15 -0.293 16.708 11.702 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -0.648 15.549 8.908 1.00 0.73 H new ATOM 0 HB3 LEU A 15 0.752 16.452 9.451 1.00 0.73 H new ATOM 0 HG LEU A 15 -0.151 13.808 10.633 1.00 0.73 H new ATOM 0 HD11 LEU A 15 1.780 12.850 9.433 1.00 0.78 H new ATOM 0 HD12 LEU A 15 0.585 13.542 8.311 1.00 0.78 H new ATOM 0 HD13 LEU A 15 2.085 14.429 8.672 1.00 0.78 H new ATOM 0 HD21 LEU A 15 2.074 13.804 11.687 1.00 0.91 H new ATOM 0 HD22 LEU A 15 2.393 15.419 11.010 1.00 0.91 H new ATOM 0 HD23 LEU A 15 1.098 15.197 12.210 1.00 0.91 H new ATOM 256 N GLU A 16 -0.557 18.806 10.297 1.00 0.80 N ATOM 257 CA GLU A 16 -0.878 20.121 9.775 1.00 0.83 C ATOM 258 C GLU A 16 0.029 20.416 8.587 1.00 0.78 C ATOM 259 O GLU A 16 1.020 21.132 8.706 1.00 0.84 O ATOM 260 CB GLU A 16 -0.702 21.182 10.865 1.00 0.95 C ATOM 261 CG GLU A 16 -2.014 21.707 11.424 1.00 1.01 C ATOM 262 CD GLU A 16 -2.669 22.732 10.517 1.00 1.06 C ATOM 263 OE1 GLU A 16 -2.074 23.087 9.478 1.00 1.08 O ATOM 264 OE2 GLU A 16 -3.780 23.197 10.843 1.00 1.17 O ATOM 0 H GLU A 16 0.378 18.736 10.699 1.00 0.80 H new ATOM 0 HA GLU A 16 -1.918 20.143 9.449 1.00 0.83 H new ATOM 0 HB2 GLU A 16 -0.114 20.759 11.679 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -0.131 22.016 10.459 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.699 20.873 11.577 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -1.834 22.155 12.401 1.00 1.01 H new ATOM 271 N VAL A 17 -0.314 19.839 7.446 1.00 0.70 N ATOM 272 CA VAL A 17 0.476 20.004 6.233 1.00 0.68 C ATOM 273 C VAL A 17 0.074 21.256 5.464 1.00 0.72 C ATOM 274 O VAL A 17 -0.893 21.936 5.814 1.00 0.76 O ATOM 275 CB VAL A 17 0.341 18.780 5.304 1.00 0.60 C ATOM 276 CG1 VAL A 17 0.915 17.540 5.966 1.00 0.57 C ATOM 277 CG2 VAL A 17 -1.112 18.559 4.915 1.00 0.58 C ATOM 0 H VAL A 17 -1.138 19.249 7.333 1.00 0.70 H new ATOM 0 HA VAL A 17 1.514 20.103 6.552 1.00 0.68 H new ATOM 0 HB VAL A 17 0.910 18.976 4.395 1.00 0.60 H new ATOM 0 HG11 VAL A 17 0.810 16.688 5.295 1.00 0.57 H new ATOM 0 HG12 VAL A 17 1.970 17.701 6.186 1.00 0.57 H new ATOM 0 HG13 VAL A 17 0.377 17.340 6.893 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -1.185 17.691 4.260 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -1.707 18.388 5.812 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -1.487 19.440 4.394 1.00 0.58 H new ATOM 287 N GLU A 18 0.827 21.551 4.416 1.00 0.73 N ATOM 288 CA GLU A 18 0.561 22.704 3.573 1.00 0.78 C ATOM 289 C GLU A 18 -0.390 22.289 2.454 1.00 0.76 C ATOM 290 O GLU A 18 -0.451 21.107 2.109 1.00 0.72 O ATOM 291 CB GLU A 18 1.868 23.255 2.991 1.00 0.86 C ATOM 292 CG GLU A 18 2.947 23.497 4.035 1.00 0.94 C ATOM 293 CD GLU A 18 4.283 23.865 3.422 1.00 1.06 C ATOM 294 OE1 GLU A 18 4.394 24.963 2.840 1.00 1.18 O ATOM 295 OE2 GLU A 18 5.230 23.058 3.519 1.00 1.25 O ATOM 0 H GLU A 18 1.636 21.000 4.127 1.00 0.73 H new ATOM 0 HA GLU A 18 0.100 23.493 4.168 1.00 0.78 H new ATOM 0 HB2 GLU A 18 2.247 22.556 2.245 1.00 0.86 H new ATOM 0 HB3 GLU A 18 1.659 24.191 2.473 1.00 0.86 H new ATOM 0 HG2 GLU A 18 2.627 24.296 4.704 1.00 0.94 H new ATOM 0 HG3 GLU A 18 3.066 22.600 4.643 1.00 0.94 H new ATOM 302 N PRO A 19 -1.155 23.236 1.886 1.00 0.80 N ATOM 303 CA PRO A 19 -2.102 22.939 0.806 1.00 0.82 C ATOM 304 C PRO A 19 -1.448 22.167 -0.336 1.00 0.86 C ATOM 305 O PRO A 19 -1.961 21.142 -0.787 1.00 0.87 O ATOM 306 CB PRO A 19 -2.554 24.324 0.335 1.00 0.87 C ATOM 307 CG PRO A 19 -2.366 25.203 1.521 1.00 0.91 C ATOM 308 CD PRO A 19 -1.166 24.666 2.250 1.00 0.88 C ATOM 0 HA PRO A 19 -2.923 22.306 1.143 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -1.960 24.668 -0.512 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -3.595 24.313 0.011 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -2.207 26.238 1.218 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -3.249 25.190 2.160 1.00 0.91 H new ATOM 0 HD2 PRO A 19 -0.249 25.167 1.938 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -1.255 24.806 3.327 1.00 0.88 H new ATOM 316 N SER A 20 -0.298 22.655 -0.780 1.00 0.92 N ATOM 317 CA SER A 20 0.435 22.018 -1.859 1.00 1.00 C ATOM 318 C SER A 20 1.719 21.376 -1.335 1.00 0.92 C ATOM 319 O SER A 20 2.779 21.490 -1.955 1.00 0.94 O ATOM 320 CB SER A 20 0.755 23.050 -2.941 1.00 1.18 C ATOM 321 OG SER A 20 -0.307 23.983 -3.078 1.00 1.24 O ATOM 0 H SER A 20 0.147 23.493 -0.406 1.00 0.92 H new ATOM 0 HA SER A 20 -0.183 21.230 -2.289 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.676 23.575 -2.688 1.00 1.18 H new ATOM 0 HB3 SER A 20 0.927 22.545 -3.892 1.00 1.18 H new ATOM 0 HG SER A 20 -0.082 24.635 -3.774 1.00 1.24 H new ATOM 327 N ASP A 21 1.627 20.718 -0.183 1.00 0.85 N ATOM 328 CA ASP A 21 2.782 20.052 0.405 1.00 0.80 C ATOM 329 C ASP A 21 3.089 18.771 -0.358 1.00 0.75 C ATOM 330 O ASP A 21 2.177 18.087 -0.829 1.00 0.73 O ATOM 331 CB ASP A 21 2.532 19.740 1.885 1.00 0.75 C ATOM 332 CG ASP A 21 3.806 19.404 2.639 1.00 0.65 C ATOM 333 OD1 ASP A 21 4.905 19.671 2.108 1.00 0.82 O ATOM 334 OD2 ASP A 21 3.710 18.889 3.773 1.00 0.69 O ATOM 0 H ASP A 21 0.767 20.632 0.359 1.00 0.85 H new ATOM 0 HA ASP A 21 3.640 20.721 0.336 1.00 0.80 H new ATOM 0 HB2 ASP A 21 2.052 20.598 2.356 1.00 0.75 H new ATOM 0 HB3 ASP A 21 1.838 18.903 1.963 1.00 0.75 H new ATOM 339 N THR A 22 4.365 18.460 -0.497 1.00 0.76 N ATOM 340 CA THR A 22 4.786 17.270 -1.210 1.00 0.74 C ATOM 341 C THR A 22 4.560 16.023 -0.364 1.00 0.67 C ATOM 342 O THR A 22 4.738 16.057 0.853 1.00 0.65 O ATOM 343 CB THR A 22 6.276 17.353 -1.588 1.00 0.80 C ATOM 344 OG1 THR A 22 6.773 18.673 -1.322 1.00 0.85 O ATOM 345 CG2 THR A 22 6.485 17.009 -3.054 1.00 1.02 C ATOM 0 H THR A 22 5.131 19.020 -0.123 1.00 0.76 H new ATOM 0 HA THR A 22 4.186 17.206 -2.118 1.00 0.74 H new ATOM 0 HB THR A 22 6.824 16.629 -0.984 1.00 0.80 H new ATOM 0 HG1 THR A 22 7.722 18.720 -1.563 1.00 0.85 H new ATOM 0 HG21 THR A 22 7.546 17.075 -3.296 1.00 1.02 H new ATOM 0 HG22 THR A 22 6.132 15.995 -3.244 1.00 1.02 H new ATOM 0 HG23 THR A 22 5.927 17.710 -3.675 1.00 1.02 H new ATOM 353 N ILE A 23 4.167 14.929 -1.013 1.00 0.65 N ATOM 354 CA ILE A 23 3.935 13.662 -0.322 1.00 0.59 C ATOM 355 C ILE A 23 5.176 13.267 0.475 1.00 0.58 C ATOM 356 O ILE A 23 5.080 12.770 1.596 1.00 0.54 O ATOM 357 CB ILE A 23 3.572 12.536 -1.321 1.00 0.62 C ATOM 358 CG1 ILE A 23 2.246 12.843 -2.022 1.00 0.67 C ATOM 359 CG2 ILE A 23 3.497 11.187 -0.620 1.00 0.55 C ATOM 360 CD1 ILE A 23 1.055 12.907 -1.088 1.00 0.63 C ATOM 0 H ILE A 23 4.002 14.894 -2.019 1.00 0.65 H new ATOM 0 HA ILE A 23 3.094 13.798 0.358 1.00 0.59 H new ATOM 0 HB ILE A 23 4.361 12.488 -2.072 1.00 0.62 H new ATOM 0 HG12 ILE A 23 2.336 13.795 -2.546 1.00 0.67 H new ATOM 0 HG13 ILE A 23 2.061 12.080 -2.778 1.00 0.67 H new ATOM 0 HG21 ILE A 23 3.240 10.414 -1.345 1.00 0.55 H new ATOM 0 HG22 ILE A 23 4.463 10.956 -0.170 1.00 0.55 H new ATOM 0 HG23 ILE A 23 2.734 11.223 0.158 1.00 0.55 H new ATOM 0 HD11 ILE A 23 0.155 13.129 -1.661 1.00 0.63 H new ATOM 0 HD12 ILE A 23 0.937 11.948 -0.583 1.00 0.63 H new ATOM 0 HD13 ILE A 23 1.215 13.690 -0.347 1.00 0.63 H new ATOM 372 N GLU A 24 6.338 13.524 -0.110 1.00 0.64 N ATOM 373 CA GLU A 24 7.610 13.224 0.529 1.00 0.67 C ATOM 374 C GLU A 24 7.739 13.981 1.848 1.00 0.65 C ATOM 375 O GLU A 24 8.131 13.416 2.869 1.00 0.65 O ATOM 376 CB GLU A 24 8.750 13.608 -0.411 1.00 0.78 C ATOM 377 CG GLU A 24 10.127 13.535 0.220 1.00 0.94 C ATOM 378 CD GLU A 24 11.151 14.325 -0.560 1.00 1.68 C ATOM 379 OE1 GLU A 24 11.626 13.822 -1.600 1.00 2.16 O ATOM 380 OE2 GLU A 24 11.474 15.458 -0.146 1.00 2.11 O ATOM 0 H GLU A 24 6.425 13.944 -1.036 1.00 0.64 H new ATOM 0 HA GLU A 24 7.658 12.156 0.743 1.00 0.67 H new ATOM 0 HB2 GLU A 24 8.726 12.951 -1.281 1.00 0.78 H new ATOM 0 HB3 GLU A 24 8.582 14.622 -0.773 1.00 0.78 H new ATOM 0 HG2 GLU A 24 10.078 13.914 1.241 1.00 0.94 H new ATOM 0 HG3 GLU A 24 10.443 12.494 0.281 1.00 0.94 H new ATOM 387 N ASN A 25 7.375 15.257 1.816 1.00 0.66 N ATOM 388 CA ASN A 25 7.446 16.113 2.993 1.00 0.68 C ATOM 389 C ASN A 25 6.430 15.668 4.041 1.00 0.62 C ATOM 390 O ASN A 25 6.618 15.885 5.239 1.00 0.65 O ATOM 391 CB ASN A 25 7.208 17.569 2.599 1.00 0.72 C ATOM 392 CG ASN A 25 7.751 18.545 3.624 1.00 0.79 C ATOM 393 OD1 ASN A 25 8.751 18.276 4.291 1.00 0.86 O ATOM 394 ND2 ASN A 25 7.091 19.683 3.759 1.00 0.83 N ATOM 0 H ASN A 25 7.025 15.725 0.980 1.00 0.66 H new ATOM 0 HA ASN A 25 8.442 16.028 3.427 1.00 0.68 H new ATOM 0 HB2 ASN A 25 7.677 17.762 1.634 1.00 0.72 H new ATOM 0 HB3 ASN A 25 6.139 17.738 2.473 1.00 0.72 H new ATOM 0 HD21 ASN A 25 7.406 20.378 4.436 1.00 0.83 H new ATOM 0 HD22 ASN A 25 6.267 19.866 3.186 1.00 0.83 H new ATOM 401 N VAL A 26 5.344 15.054 3.581 1.00 0.55 N ATOM 402 CA VAL A 26 4.321 14.542 4.481 1.00 0.51 C ATOM 403 C VAL A 26 4.869 13.317 5.202 1.00 0.50 C ATOM 404 O VAL A 26 4.703 13.163 6.414 1.00 0.51 O ATOM 405 CB VAL A 26 3.019 14.168 3.733 1.00 0.49 C ATOM 406 CG1 VAL A 26 1.978 13.608 4.692 1.00 0.48 C ATOM 407 CG2 VAL A 26 2.461 15.372 2.990 1.00 0.50 C ATOM 0 H VAL A 26 5.152 14.900 2.591 1.00 0.55 H new ATOM 0 HA VAL A 26 4.070 15.328 5.193 1.00 0.51 H new ATOM 0 HB VAL A 26 3.263 13.394 3.006 1.00 0.49 H new ATOM 0 HG11 VAL A 26 1.074 13.354 4.139 1.00 0.48 H new ATOM 0 HG12 VAL A 26 2.372 12.714 5.175 1.00 0.48 H new ATOM 0 HG13 VAL A 26 1.742 14.355 5.450 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.546 15.087 2.471 1.00 0.50 H new ATOM 0 HG22 VAL A 26 2.242 16.169 3.701 1.00 0.50 H new ATOM 0 HG23 VAL A 26 3.195 15.724 2.265 1.00 0.50 H new ATOM 417 N LYS A 27 5.542 12.456 4.441 1.00 0.50 N ATOM 418 CA LYS A 27 6.154 11.254 4.992 1.00 0.50 C ATOM 419 C LYS A 27 7.229 11.650 6.001 1.00 0.55 C ATOM 420 O LYS A 27 7.379 11.028 7.056 1.00 0.55 O ATOM 421 CB LYS A 27 6.771 10.410 3.871 1.00 0.52 C ATOM 422 CG LYS A 27 5.764 9.932 2.832 1.00 0.52 C ATOM 423 CD LYS A 27 6.433 9.642 1.496 1.00 0.69 C ATOM 424 CE LYS A 27 6.987 8.229 1.433 1.00 1.00 C ATOM 425 NZ LYS A 27 8.145 8.127 0.504 1.00 1.16 N ATOM 0 H LYS A 27 5.676 12.572 3.437 1.00 0.50 H new ATOM 0 HA LYS A 27 5.389 10.659 5.492 1.00 0.50 H new ATOM 0 HB2 LYS A 27 7.543 10.995 3.372 1.00 0.52 H new ATOM 0 HB3 LYS A 27 7.263 9.543 4.311 1.00 0.52 H new ATOM 0 HG2 LYS A 27 5.267 9.032 3.194 1.00 0.52 H new ATOM 0 HG3 LYS A 27 4.992 10.690 2.696 1.00 0.52 H new ATOM 0 HD2 LYS A 27 5.712 9.785 0.691 1.00 0.69 H new ATOM 0 HD3 LYS A 27 7.240 10.356 1.332 1.00 0.69 H new ATOM 0 HE2 LYS A 27 7.293 7.915 2.431 1.00 1.00 H new ATOM 0 HE3 LYS A 27 6.202 7.545 1.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 8.659 7.241 0.686 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 7.804 8.134 -0.478 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 8.783 8.934 0.655 1.00 1.16 H new ATOM 439 N ALA A 28 7.963 12.704 5.652 1.00 0.62 N ATOM 440 CA ALA A 28 9.021 13.239 6.501 1.00 0.69 C ATOM 441 C ALA A 28 8.465 13.644 7.862 1.00 0.71 C ATOM 442 O ALA A 28 9.133 13.494 8.888 1.00 0.76 O ATOM 443 CB ALA A 28 9.686 14.426 5.821 1.00 0.76 C ATOM 0 H ALA A 28 7.840 13.209 4.774 1.00 0.62 H new ATOM 0 HA ALA A 28 9.769 12.461 6.658 1.00 0.69 H new ATOM 0 HB1 ALA A 28 10.475 14.818 6.463 1.00 0.76 H new ATOM 0 HB2 ALA A 28 10.116 14.107 4.871 1.00 0.76 H new ATOM 0 HB3 ALA A 28 8.944 15.204 5.640 1.00 0.76 H new ATOM 449 N LYS A 29 7.237 14.157 7.861 1.00 0.69 N ATOM 450 CA LYS A 29 6.579 14.571 9.092 1.00 0.73 C ATOM 451 C LYS A 29 6.357 13.369 9.997 1.00 0.72 C ATOM 452 O LYS A 29 6.718 13.398 11.174 1.00 0.81 O ATOM 453 CB LYS A 29 5.255 15.272 8.789 1.00 0.71 C ATOM 454 CG LYS A 29 5.442 16.639 8.157 1.00 0.75 C ATOM 455 CD LYS A 29 4.123 17.267 7.744 1.00 0.69 C ATOM 456 CE LYS A 29 4.333 18.665 7.184 1.00 0.68 C ATOM 457 NZ LYS A 29 5.154 18.656 5.944 1.00 0.89 N ATOM 0 H LYS A 29 6.679 14.295 7.019 1.00 0.69 H new ATOM 0 HA LYS A 29 7.225 15.281 9.609 1.00 0.73 H new ATOM 0 HB2 LYS A 29 4.663 14.646 8.121 1.00 0.71 H new ATOM 0 HB3 LYS A 29 4.687 15.379 9.713 1.00 0.71 H new ATOM 0 HG2 LYS A 29 5.950 17.297 8.862 1.00 0.75 H new ATOM 0 HG3 LYS A 29 6.088 16.548 7.284 1.00 0.75 H new ATOM 0 HD2 LYS A 29 3.638 16.641 6.995 1.00 0.69 H new ATOM 0 HD3 LYS A 29 3.454 17.313 8.603 1.00 0.69 H new ATOM 0 HE2 LYS A 29 3.365 19.119 6.973 1.00 0.68 H new ATOM 0 HE3 LYS A 29 4.820 19.286 7.936 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 6.029 19.194 6.103 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 5.392 17.675 5.692 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 4.616 19.092 5.168 1.00 0.89 H new ATOM 471 N ILE A 30 5.746 12.320 9.451 1.00 0.64 N ATOM 472 CA ILE A 30 5.518 11.097 10.209 1.00 0.64 C ATOM 473 C ILE A 30 6.845 10.568 10.746 1.00 0.72 C ATOM 474 O ILE A 30 6.930 10.127 11.892 1.00 0.80 O ATOM 475 CB ILE A 30 4.841 10.011 9.342 1.00 0.54 C ATOM 476 CG1 ILE A 30 3.606 10.588 8.641 1.00 0.52 C ATOM 477 CG2 ILE A 30 4.460 8.804 10.192 1.00 0.58 C ATOM 478 CD1 ILE A 30 2.883 9.598 7.749 1.00 0.46 C ATOM 0 H ILE A 30 5.402 12.294 8.491 1.00 0.64 H new ATOM 0 HA ILE A 30 4.850 11.335 11.037 1.00 0.64 H new ATOM 0 HB ILE A 30 5.550 9.681 8.583 1.00 0.54 H new ATOM 0 HG12 ILE A 30 2.911 10.955 9.396 1.00 0.52 H new ATOM 0 HG13 ILE A 30 3.909 11.447 8.042 1.00 0.52 H new ATOM 0 HG21 ILE A 30 3.985 8.051 9.563 1.00 0.58 H new ATOM 0 HG22 ILE A 30 5.356 8.383 10.648 1.00 0.58 H new ATOM 0 HG23 ILE A 30 3.766 9.114 10.974 1.00 0.58 H new ATOM 0 HD11 ILE A 30 2.022 10.083 7.290 1.00 0.46 H new ATOM 0 HD12 ILE A 30 3.560 9.248 6.970 1.00 0.46 H new ATOM 0 HD13 ILE A 30 2.547 8.750 8.345 1.00 0.46 H new ATOM 490 N GLN A 31 7.864 10.596 9.891 1.00 0.71 N ATOM 491 CA GLN A 31 9.209 10.162 10.267 1.00 0.82 C ATOM 492 C GLN A 31 9.691 10.892 11.515 1.00 0.93 C ATOM 493 O GLN A 31 10.295 10.295 12.402 1.00 1.01 O ATOM 494 CB GLN A 31 10.198 10.407 9.128 1.00 0.84 C ATOM 495 CG GLN A 31 11.636 10.097 9.513 1.00 0.97 C ATOM 496 CD GLN A 31 12.648 10.675 8.547 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.406 11.696 7.905 1.00 1.01 O ATOM 498 NE2 GLN A 31 13.795 10.022 8.443 1.00 1.18 N ATOM 0 H GLN A 31 7.784 10.917 8.926 1.00 0.71 H new ATOM 0 HA GLN A 31 9.159 9.093 10.477 1.00 0.82 H new ATOM 0 HB2 GLN A 31 9.917 9.794 8.272 1.00 0.84 H new ATOM 0 HB3 GLN A 31 10.129 11.448 8.811 1.00 0.84 H new ATOM 0 HG2 GLN A 31 11.831 10.489 10.511 1.00 0.97 H new ATOM 0 HG3 GLN A 31 11.767 9.016 9.564 1.00 0.97 H new ATOM 0 HE21 GLN A 31 13.954 9.179 8.995 1.00 1.18 H new ATOM 0 HE22 GLN A 31 14.520 10.362 7.811 1.00 1.18 H new ATOM 507 N ASP A 32 9.428 12.185 11.576 1.00 0.95 N ATOM 508 CA ASP A 32 9.837 12.988 12.717 1.00 1.08 C ATOM 509 C ASP A 32 8.982 12.674 13.935 1.00 1.10 C ATOM 510 O ASP A 32 9.490 12.574 15.048 1.00 1.19 O ATOM 511 CB ASP A 32 9.731 14.477 12.390 1.00 1.15 C ATOM 512 CG ASP A 32 10.984 15.240 12.763 1.00 1.10 C ATOM 513 OD1 ASP A 32 11.246 15.423 13.969 1.00 1.24 O ATOM 514 OD2 ASP A 32 11.720 15.666 11.843 1.00 1.51 O ATOM 0 H ASP A 32 8.933 12.702 10.850 1.00 0.95 H new ATOM 0 HA ASP A 32 10.875 12.743 12.942 1.00 1.08 H new ATOM 0 HB2 ASP A 32 9.538 14.599 11.324 1.00 1.15 H new ATOM 0 HB3 ASP A 32 8.878 14.903 12.919 1.00 1.15 H new ATOM 519 N LYS A 33 7.687 12.491 13.710 1.00 1.04 N ATOM 520 CA LYS A 33 6.751 12.212 14.792 1.00 1.08 C ATOM 521 C LYS A 33 6.838 10.763 15.286 1.00 1.05 C ATOM 522 O LYS A 33 7.524 10.484 16.268 1.00 1.11 O ATOM 523 CB LYS A 33 5.324 12.536 14.343 1.00 1.05 C ATOM 524 CG LYS A 33 4.385 12.866 15.489 1.00 1.11 C ATOM 525 CD LYS A 33 3.025 13.317 14.981 1.00 1.21 C ATOM 526 CE LYS A 33 2.146 13.815 16.116 1.00 1.50 C ATOM 527 NZ LYS A 33 2.700 15.038 16.756 1.00 1.79 N ATOM 0 H LYS A 33 7.260 12.531 12.785 1.00 1.04 H new ATOM 0 HA LYS A 33 7.026 12.850 15.632 1.00 1.08 H new ATOM 0 HB2 LYS A 33 5.352 13.380 13.653 1.00 1.05 H new ATOM 0 HB3 LYS A 33 4.924 11.686 13.790 1.00 1.05 H new ATOM 0 HG2 LYS A 33 4.265 11.990 16.126 1.00 1.11 H new ATOM 0 HG3 LYS A 33 4.823 13.651 16.106 1.00 1.11 H new ATOM 0 HD2 LYS A 33 3.155 14.110 14.245 1.00 1.21 H new ATOM 0 HD3 LYS A 33 2.531 12.488 14.473 1.00 1.21 H new ATOM 0 HE2 LYS A 33 1.147 14.027 15.735 1.00 1.50 H new ATOM 0 HE3 LYS A 33 2.042 13.030 16.865 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 1.956 15.506 17.313 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 3.488 14.776 17.382 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 3.044 15.689 16.021 1.00 1.79 H new ATOM 541 N GLU A 34 6.152 9.844 14.599 1.00 0.98 N ATOM 542 CA GLU A 34 6.128 8.428 14.988 1.00 0.97 C ATOM 543 C GLU A 34 7.463 7.720 14.742 1.00 0.95 C ATOM 544 O GLU A 34 7.636 6.565 15.132 1.00 0.97 O ATOM 545 CB GLU A 34 5.015 7.696 14.231 1.00 0.89 C ATOM 546 CG GLU A 34 3.608 8.076 14.676 1.00 0.94 C ATOM 547 CD GLU A 34 3.152 7.316 15.910 1.00 1.18 C ATOM 548 OE1 GLU A 34 2.663 6.174 15.767 1.00 1.18 O ATOM 549 OE2 GLU A 34 3.270 7.858 17.028 1.00 1.56 O ATOM 0 H GLU A 34 5.603 10.056 13.766 1.00 0.98 H new ATOM 0 HA GLU A 34 5.939 8.400 16.061 1.00 0.97 H new ATOM 0 HB2 GLU A 34 5.117 7.904 13.166 1.00 0.89 H new ATOM 0 HB3 GLU A 34 5.148 6.622 14.360 1.00 0.89 H new ATOM 0 HG2 GLU A 34 3.574 9.146 14.881 1.00 0.94 H new ATOM 0 HG3 GLU A 34 2.911 7.886 13.860 1.00 0.94 H new ATOM 556 N GLY A 35 8.392 8.400 14.086 1.00 0.94 N ATOM 557 CA GLY A 35 9.694 7.810 13.822 1.00 0.94 C ATOM 558 C GLY A 35 9.677 6.759 12.726 1.00 0.88 C ATOM 559 O GLY A 35 10.543 5.882 12.689 1.00 0.92 O ATOM 0 H GLY A 35 8.271 9.349 13.731 1.00 0.94 H new ATOM 0 HA2 GLY A 35 10.392 8.600 13.545 1.00 0.94 H new ATOM 0 HA3 GLY A 35 10.072 7.359 14.740 1.00 0.94 H new ATOM 563 N ILE A 36 8.709 6.843 11.828 1.00 0.79 N ATOM 564 CA ILE A 36 8.603 5.879 10.736 1.00 0.73 C ATOM 565 C ILE A 36 9.352 6.379 9.502 1.00 0.69 C ATOM 566 O ILE A 36 9.026 7.435 8.964 1.00 0.63 O ATOM 567 CB ILE A 36 7.132 5.607 10.362 1.00 0.66 C ATOM 568 CG1 ILE A 36 6.339 5.165 11.597 1.00 0.77 C ATOM 569 CG2 ILE A 36 7.052 4.549 9.268 1.00 0.63 C ATOM 570 CD1 ILE A 36 4.857 5.000 11.340 1.00 0.76 C ATOM 0 H ILE A 36 7.987 7.564 11.830 1.00 0.79 H new ATOM 0 HA ILE A 36 9.052 4.948 11.083 1.00 0.73 H new ATOM 0 HB ILE A 36 6.692 6.530 9.984 1.00 0.66 H new ATOM 0 HG12 ILE A 36 6.744 4.220 11.959 1.00 0.77 H new ATOM 0 HG13 ILE A 36 6.482 5.898 12.391 1.00 0.77 H new ATOM 0 HG21 ILE A 36 6.008 4.367 9.014 1.00 0.63 H new ATOM 0 HG22 ILE A 36 7.585 4.899 8.384 1.00 0.63 H new ATOM 0 HG23 ILE A 36 7.506 3.624 9.623 1.00 0.63 H new ATOM 0 HD11 ILE A 36 4.361 4.686 12.258 1.00 0.76 H new ATOM 0 HD12 ILE A 36 4.437 5.950 11.008 1.00 0.76 H new ATOM 0 HD13 ILE A 36 4.703 4.246 10.568 1.00 0.76 H new ATOM 582 N PRO A 37 10.371 5.631 9.046 1.00 0.76 N ATOM 583 CA PRO A 37 11.165 6.003 7.867 1.00 0.77 C ATOM 584 C PRO A 37 10.294 6.190 6.622 1.00 0.66 C ATOM 585 O PRO A 37 9.488 5.321 6.291 1.00 0.58 O ATOM 586 CB PRO A 37 12.110 4.813 7.675 1.00 0.88 C ATOM 587 CG PRO A 37 12.181 4.160 9.010 1.00 0.97 C ATOM 588 CD PRO A 37 10.834 4.365 9.641 1.00 0.88 C ATOM 0 HA PRO A 37 11.680 6.953 8.009 1.00 0.77 H new ATOM 0 HB2 PRO A 37 11.731 4.126 6.919 1.00 0.88 H new ATOM 0 HB3 PRO A 37 13.095 5.141 7.343 1.00 0.88 H new ATOM 0 HG2 PRO A 37 12.410 3.099 8.914 1.00 0.97 H new ATOM 0 HG3 PRO A 37 12.969 4.602 9.620 1.00 0.97 H new ATOM 0 HD2 PRO A 37 10.155 3.543 9.416 1.00 0.88 H new ATOM 0 HD3 PRO A 37 10.904 4.433 10.727 1.00 0.88 H new ATOM 596 N PRO A 38 10.450 7.327 5.917 1.00 0.70 N ATOM 597 CA PRO A 38 9.673 7.633 4.707 1.00 0.66 C ATOM 598 C PRO A 38 9.818 6.564 3.625 1.00 0.65 C ATOM 599 O PRO A 38 8.878 6.292 2.877 1.00 0.62 O ATOM 600 CB PRO A 38 10.264 8.961 4.221 1.00 0.81 C ATOM 601 CG PRO A 38 10.894 9.565 5.425 1.00 0.91 C ATOM 602 CD PRO A 38 11.389 8.412 6.251 1.00 0.86 C ATOM 0 HA PRO A 38 8.605 7.677 4.921 1.00 0.66 H new ATOM 0 HB2 PRO A 38 10.997 8.801 3.430 1.00 0.81 H new ATOM 0 HB3 PRO A 38 9.491 9.611 3.812 1.00 0.81 H new ATOM 0 HG2 PRO A 38 11.714 10.227 5.147 1.00 0.91 H new ATOM 0 HG3 PRO A 38 10.175 10.165 5.983 1.00 0.91 H new ATOM 0 HD2 PRO A 38 12.416 8.147 5.998 1.00 0.86 H new ATOM 0 HD3 PRO A 38 11.373 8.644 7.316 1.00 0.86 H new ATOM 610 N ASP A 39 10.996 5.958 3.554 1.00 0.73 N ATOM 611 CA ASP A 39 11.262 4.916 2.566 1.00 0.79 C ATOM 612 C ASP A 39 10.388 3.688 2.827 1.00 0.74 C ATOM 613 O ASP A 39 10.096 2.919 1.911 1.00 0.81 O ATOM 614 CB ASP A 39 12.745 4.521 2.566 1.00 0.89 C ATOM 615 CG ASP A 39 13.090 3.501 3.635 1.00 1.84 C ATOM 616 OD1 ASP A 39 13.195 3.887 4.817 1.00 2.66 O ATOM 617 OD2 ASP A 39 13.273 2.316 3.295 1.00 2.29 O ATOM 0 H ASP A 39 11.783 6.169 4.167 1.00 0.73 H new ATOM 0 HA ASP A 39 11.015 5.318 1.583 1.00 0.79 H new ATOM 0 HB2 ASP A 39 13.007 4.116 1.588 1.00 0.89 H new ATOM 0 HB3 ASP A 39 13.352 5.414 2.715 1.00 0.89 H new ATOM 622 N GLN A 40 9.937 3.535 4.067 1.00 0.67 N ATOM 623 CA GLN A 40 9.099 2.406 4.441 1.00 0.70 C ATOM 624 C GLN A 40 7.647 2.839 4.627 1.00 0.60 C ATOM 625 O GLN A 40 6.845 2.126 5.235 1.00 0.67 O ATOM 626 CB GLN A 40 9.625 1.754 5.720 1.00 0.79 C ATOM 627 CG GLN A 40 10.737 0.751 5.469 1.00 0.95 C ATOM 628 CD GLN A 40 11.475 0.374 6.735 1.00 1.48 C ATOM 629 OE1 GLN A 40 11.102 -0.571 7.429 1.00 2.10 O ATOM 630 NE2 GLN A 40 12.527 1.110 7.039 1.00 2.01 N ATOM 0 H GLN A 40 10.139 4.181 4.830 1.00 0.67 H new ATOM 0 HA GLN A 40 9.135 1.676 3.632 1.00 0.70 H new ATOM 0 HB2 GLN A 40 9.990 2.531 6.392 1.00 0.79 H new ATOM 0 HB3 GLN A 40 8.802 1.253 6.230 1.00 0.79 H new ATOM 0 HG2 GLN A 40 10.316 -0.147 5.017 1.00 0.95 H new ATOM 0 HG3 GLN A 40 11.443 1.169 4.751 1.00 0.95 H new ATOM 0 HE21 GLN A 40 12.800 1.884 6.434 1.00 2.01 H new ATOM 0 HE22 GLN A 40 13.068 0.905 7.879 1.00 2.01 H new ATOM 639 N GLN A 41 7.317 4.006 4.097 1.00 0.51 N ATOM 640 CA GLN A 41 5.963 4.531 4.195 1.00 0.44 C ATOM 641 C GLN A 41 5.232 4.369 2.873 1.00 0.45 C ATOM 642 O GLN A 41 5.791 4.639 1.805 1.00 0.51 O ATOM 643 CB GLN A 41 5.977 6.008 4.582 1.00 0.40 C ATOM 644 CG GLN A 41 6.368 6.270 6.022 1.00 0.41 C ATOM 645 CD GLN A 41 6.208 7.728 6.388 1.00 0.40 C ATOM 646 OE1 GLN A 41 5.311 8.404 5.894 1.00 0.37 O ATOM 647 NE2 GLN A 41 7.084 8.229 7.239 1.00 0.46 N ATOM 0 H GLN A 41 7.968 4.609 3.594 1.00 0.51 H new ATOM 0 HA GLN A 41 5.444 3.965 4.969 1.00 0.44 H new ATOM 0 HB2 GLN A 41 6.670 6.537 3.927 1.00 0.40 H new ATOM 0 HB3 GLN A 41 4.987 6.428 4.404 1.00 0.40 H new ATOM 0 HG2 GLN A 41 5.753 5.659 6.683 1.00 0.41 H new ATOM 0 HG3 GLN A 41 7.403 5.967 6.179 1.00 0.41 H new ATOM 0 HE21 GLN A 41 7.815 7.634 7.628 1.00 0.46 H new ATOM 0 HE22 GLN A 41 7.030 9.211 7.508 1.00 0.46 H new ATOM 656 N ARG A 42 3.993 3.912 2.941 1.00 0.46 N ATOM 657 CA ARG A 42 3.175 3.733 1.751 1.00 0.52 C ATOM 658 C ARG A 42 1.827 4.415 1.945 1.00 0.50 C ATOM 659 O ARG A 42 0.932 3.870 2.589 1.00 0.53 O ATOM 660 CB ARG A 42 2.973 2.248 1.440 1.00 0.63 C ATOM 661 CG ARG A 42 4.264 1.481 1.198 1.00 0.69 C ATOM 662 CD ARG A 42 4.998 1.986 -0.034 1.00 0.75 C ATOM 663 NE ARG A 42 6.224 1.234 -0.287 1.00 0.87 N ATOM 664 CZ ARG A 42 7.441 1.635 0.086 1.00 0.92 C ATOM 665 NH1 ARG A 42 7.608 2.783 0.738 1.00 0.94 N ATOM 666 NH2 ARG A 42 8.495 0.881 -0.196 1.00 1.11 N ATOM 0 H ARG A 42 3.529 3.657 3.812 1.00 0.46 H new ATOM 0 HA ARG A 42 3.693 4.188 0.906 1.00 0.52 H new ATOM 0 HB2 ARG A 42 2.438 1.784 2.269 1.00 0.63 H new ATOM 0 HB3 ARG A 42 2.338 2.156 0.559 1.00 0.63 H new ATOM 0 HG2 ARG A 42 4.911 1.574 2.070 1.00 0.69 H new ATOM 0 HG3 ARG A 42 4.040 0.421 1.079 1.00 0.69 H new ATOM 0 HD2 ARG A 42 4.342 1.913 -0.902 1.00 0.75 H new ATOM 0 HD3 ARG A 42 5.240 3.041 0.095 1.00 0.75 H new ATOM 0 HE ARG A 42 6.145 0.345 -0.781 1.00 0.87 H new ATOM 0 HH11 ARG A 42 6.801 3.367 0.958 1.00 0.94 H new ATOM 0 HH12 ARG A 42 8.543 3.079 1.018 1.00 0.94 H new ATOM 0 HH21 ARG A 42 8.373 0.000 -0.695 1.00 1.11 H new ATOM 0 HH22 ARG A 42 9.428 1.182 0.086 1.00 1.11 H new ATOM 680 N LEU A 43 1.710 5.620 1.415 1.00 0.47 N ATOM 681 CA LEU A 43 0.478 6.387 1.527 1.00 0.46 C ATOM 682 C LEU A 43 -0.496 6.031 0.405 1.00 0.49 C ATOM 683 O LEU A 43 -0.123 5.980 -0.768 1.00 0.65 O ATOM 684 CB LEU A 43 0.781 7.887 1.515 1.00 0.47 C ATOM 685 CG LEU A 43 1.514 8.416 2.752 1.00 0.64 C ATOM 686 CD1 LEU A 43 1.875 9.884 2.573 1.00 0.98 C ATOM 687 CD2 LEU A 43 0.664 8.230 4.000 1.00 1.14 C ATOM 0 H LEU A 43 2.455 6.091 0.901 1.00 0.47 H new ATOM 0 HA LEU A 43 0.007 6.132 2.476 1.00 0.46 H new ATOM 0 HB2 LEU A 43 1.381 8.113 0.633 1.00 0.47 H new ATOM 0 HB3 LEU A 43 -0.158 8.430 1.409 1.00 0.47 H new ATOM 0 HG LEU A 43 2.434 7.844 2.872 1.00 0.64 H new ATOM 0 HD11 LEU A 43 2.395 10.242 3.462 1.00 0.98 H new ATOM 0 HD12 LEU A 43 2.523 9.996 1.704 1.00 0.98 H new ATOM 0 HD13 LEU A 43 0.966 10.467 2.425 1.00 0.98 H new ATOM 0 HD21 LEU A 43 1.203 8.612 4.867 1.00 1.14 H new ATOM 0 HD22 LEU A 43 -0.273 8.774 3.886 1.00 1.14 H new ATOM 0 HD23 LEU A 43 0.453 7.170 4.142 1.00 1.14 H new ATOM 699 N ILE A 44 -1.735 5.763 0.783 1.00 0.55 N ATOM 700 CA ILE A 44 -2.785 5.407 -0.165 1.00 0.63 C ATOM 701 C ILE A 44 -4.059 6.192 0.149 1.00 0.63 C ATOM 702 O ILE A 44 -4.544 6.169 1.272 1.00 0.92 O ATOM 703 CB ILE A 44 -3.083 3.889 -0.109 1.00 0.95 C ATOM 704 CG1 ILE A 44 -1.880 3.091 -0.622 1.00 1.33 C ATOM 705 CG2 ILE A 44 -4.329 3.552 -0.915 1.00 1.57 C ATOM 706 CD1 ILE A 44 -1.923 1.622 -0.261 1.00 1.75 C ATOM 0 H ILE A 44 -2.044 5.785 1.755 1.00 0.55 H new ATOM 0 HA ILE A 44 -2.441 5.658 -1.168 1.00 0.63 H new ATOM 0 HB ILE A 44 -3.266 3.614 0.930 1.00 0.95 H new ATOM 0 HG12 ILE A 44 -1.827 3.188 -1.706 1.00 1.33 H new ATOM 0 HG13 ILE A 44 -0.967 3.528 -0.218 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -4.518 2.480 -0.861 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -5.183 4.092 -0.507 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -4.179 3.842 -1.955 1.00 1.57 H new ATOM 0 HD11 ILE A 44 -1.039 1.124 -0.658 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -1.944 1.514 0.823 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -2.818 1.168 -0.688 1.00 1.75 H new ATOM 718 N PHE A 45 -4.595 6.889 -0.840 1.00 0.58 N ATOM 719 CA PHE A 45 -5.802 7.681 -0.643 1.00 0.72 C ATOM 720 C PHE A 45 -7.010 7.019 -1.304 1.00 0.86 C ATOM 721 O PHE A 45 -7.223 7.157 -2.509 1.00 0.83 O ATOM 722 CB PHE A 45 -5.596 9.092 -1.200 1.00 0.77 C ATOM 723 CG PHE A 45 -6.728 10.040 -0.926 1.00 1.02 C ATOM 724 CD1 PHE A 45 -7.416 10.003 0.278 1.00 0.98 C ATOM 725 CD2 PHE A 45 -7.098 10.979 -1.875 1.00 1.68 C ATOM 726 CE1 PHE A 45 -8.447 10.886 0.530 1.00 1.21 C ATOM 727 CE2 PHE A 45 -8.130 11.862 -1.629 1.00 1.95 C ATOM 728 CZ PHE A 45 -8.804 11.815 -0.425 1.00 1.59 C ATOM 0 H PHE A 45 -4.215 6.924 -1.786 1.00 0.58 H new ATOM 0 HA PHE A 45 -6.000 7.744 0.427 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -4.681 9.506 -0.777 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -5.447 9.026 -2.278 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -7.142 9.275 1.027 1.00 0.98 H new ATOM 0 HD2 PHE A 45 -6.573 11.021 -2.818 1.00 1.68 H new ATOM 0 HE1 PHE A 45 -8.973 10.849 1.473 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -8.410 12.589 -2.377 1.00 1.95 H new ATOM 0 HZ PHE A 45 -9.611 12.506 -0.231 1.00 1.59 H new ATOM 738 N ALA A 46 -7.778 6.278 -0.498 1.00 1.21 N ATOM 739 CA ALA A 46 -8.987 5.579 -0.959 1.00 1.45 C ATOM 740 C ALA A 46 -8.692 4.617 -2.114 1.00 1.26 C ATOM 741 O ALA A 46 -9.587 4.243 -2.872 1.00 1.24 O ATOM 742 CB ALA A 46 -10.060 6.583 -1.359 1.00 1.65 C ATOM 0 H ALA A 46 -7.580 6.145 0.494 1.00 1.21 H new ATOM 0 HA ALA A 46 -9.354 4.979 -0.126 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -10.949 6.050 -1.698 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -10.315 7.204 -0.501 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -9.686 7.214 -2.165 1.00 1.65 H new ATOM 748 N GLY A 47 -7.440 4.214 -2.231 1.00 1.29 N ATOM 749 CA GLY A 47 -7.045 3.304 -3.286 1.00 1.38 C ATOM 750 C GLY A 47 -5.987 3.913 -4.176 1.00 1.26 C ATOM 751 O GLY A 47 -5.189 3.203 -4.787 1.00 1.51 O ATOM 0 H GLY A 47 -6.683 4.502 -1.611 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -6.666 2.381 -2.848 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -7.917 3.039 -3.884 1.00 1.38 H new ATOM 755 N LYS A 48 -5.974 5.235 -4.240 1.00 1.08 N ATOM 756 CA LYS A 48 -5.009 5.952 -5.053 1.00 1.25 C ATOM 757 C LYS A 48 -3.661 6.004 -4.345 1.00 1.05 C ATOM 758 O LYS A 48 -3.534 6.601 -3.279 1.00 1.03 O ATOM 759 CB LYS A 48 -5.511 7.368 -5.342 1.00 1.51 C ATOM 760 CG LYS A 48 -4.685 8.108 -6.380 1.00 1.98 C ATOM 761 CD LYS A 48 -5.310 9.447 -6.740 1.00 2.33 C ATOM 762 CE LYS A 48 -6.680 9.272 -7.378 1.00 2.71 C ATOM 763 NZ LYS A 48 -7.096 10.478 -8.139 1.00 3.64 N ATOM 0 H LYS A 48 -6.626 5.835 -3.735 1.00 1.08 H new ATOM 0 HA LYS A 48 -4.886 5.425 -5.999 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -6.545 7.315 -5.683 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -5.511 7.941 -4.415 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -3.677 8.267 -5.998 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -4.593 7.496 -7.277 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -5.401 10.059 -5.843 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -4.654 9.983 -7.426 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -6.662 8.410 -8.045 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -7.417 9.060 -6.603 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -8.034 10.318 -8.558 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -7.138 11.296 -7.498 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -6.407 10.666 -8.895 1.00 3.64 H new ATOM 777 N GLN A 49 -2.671 5.354 -4.932 1.00 0.98 N ATOM 778 CA GLN A 49 -1.330 5.323 -4.367 1.00 0.86 C ATOM 779 C GLN A 49 -0.680 6.704 -4.416 1.00 0.85 C ATOM 780 O GLN A 49 -0.599 7.326 -5.474 1.00 0.98 O ATOM 781 CB GLN A 49 -0.463 4.313 -5.126 1.00 1.01 C ATOM 782 CG GLN A 49 0.993 4.292 -4.680 1.00 1.26 C ATOM 783 CD GLN A 49 1.244 3.347 -3.522 1.00 1.41 C ATOM 784 OE1 GLN A 49 1.558 2.173 -3.719 1.00 1.50 O ATOM 785 NE2 GLN A 49 1.121 3.850 -2.305 1.00 2.20 N ATOM 0 H GLN A 49 -2.770 4.837 -5.806 1.00 0.98 H new ATOM 0 HA GLN A 49 -1.410 5.019 -3.323 1.00 0.86 H new ATOM 0 HB2 GLN A 49 -0.886 3.317 -4.998 1.00 1.01 H new ATOM 0 HB3 GLN A 49 -0.503 4.542 -6.191 1.00 1.01 H new ATOM 0 HG2 GLN A 49 1.621 4.001 -5.522 1.00 1.26 H new ATOM 0 HG3 GLN A 49 1.293 5.299 -4.391 1.00 1.26 H new ATOM 0 HE21 GLN A 49 0.859 4.828 -2.181 1.00 2.20 H new ATOM 0 HE22 GLN A 49 1.288 3.260 -1.490 1.00 2.20 H new ATOM 794 N LEU A 50 -0.237 7.181 -3.262 1.00 0.77 N ATOM 795 CA LEU A 50 0.423 8.472 -3.161 1.00 0.82 C ATOM 796 C LEU A 50 1.926 8.250 -3.094 1.00 0.89 C ATOM 797 O LEU A 50 2.412 7.548 -2.203 1.00 0.93 O ATOM 798 CB LEU A 50 -0.050 9.221 -1.912 1.00 0.75 C ATOM 799 CG LEU A 50 -1.527 9.030 -1.558 1.00 0.73 C ATOM 800 CD1 LEU A 50 -1.844 9.661 -0.212 1.00 1.01 C ATOM 801 CD2 LEU A 50 -2.414 9.618 -2.641 1.00 0.87 C ATOM 0 H LEU A 50 -0.325 6.686 -2.374 1.00 0.77 H new ATOM 0 HA LEU A 50 0.174 9.075 -4.035 1.00 0.82 H new ATOM 0 HB2 LEU A 50 0.555 8.899 -1.064 1.00 0.75 H new ATOM 0 HB3 LEU A 50 0.139 10.285 -2.053 1.00 0.75 H new ATOM 0 HG LEU A 50 -1.726 7.960 -1.490 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -2.899 9.513 0.020 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -1.234 9.194 0.561 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -1.627 10.728 -0.250 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -3.460 9.473 -2.373 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -2.209 10.684 -2.740 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -2.210 9.120 -3.589 1.00 0.87 H new ATOM 813 N GLU A 51 2.662 8.827 -4.029 1.00 0.95 N ATOM 814 CA GLU A 51 4.103 8.639 -4.059 1.00 1.07 C ATOM 815 C GLU A 51 4.862 9.961 -4.036 1.00 0.91 C ATOM 816 O GLU A 51 4.277 11.043 -4.085 1.00 0.89 O ATOM 817 CB GLU A 51 4.504 7.829 -5.292 1.00 1.37 C ATOM 818 CG GLU A 51 4.085 6.369 -5.225 1.00 1.59 C ATOM 819 CD GLU A 51 4.416 5.612 -6.492 1.00 1.84 C ATOM 820 OE1 GLU A 51 5.602 5.584 -6.881 1.00 2.64 O ATOM 821 OE2 GLU A 51 3.497 5.053 -7.118 1.00 1.95 O ATOM 0 H GLU A 51 2.291 9.423 -4.769 1.00 0.95 H new ATOM 0 HA GLU A 51 4.374 8.092 -3.156 1.00 1.07 H new ATOM 0 HB2 GLU A 51 4.059 8.285 -6.176 1.00 1.37 H new ATOM 0 HB3 GLU A 51 5.586 7.882 -5.415 1.00 1.37 H new ATOM 0 HG2 GLU A 51 4.580 5.891 -4.380 1.00 1.59 H new ATOM 0 HG3 GLU A 51 3.012 6.310 -5.040 1.00 1.59 H new ATOM 828 N ASP A 52 6.180 9.839 -3.961 1.00 0.89 N ATOM 829 CA ASP A 52 7.076 10.984 -3.924 1.00 0.90 C ATOM 830 C ASP A 52 7.080 11.695 -5.271 1.00 1.06 C ATOM 831 O ASP A 52 6.963 11.054 -6.319 1.00 1.66 O ATOM 832 CB ASP A 52 8.500 10.536 -3.577 1.00 0.94 C ATOM 833 CG ASP A 52 8.586 9.787 -2.261 1.00 1.07 C ATOM 834 OD1 ASP A 52 8.168 8.605 -2.210 1.00 1.51 O ATOM 835 OD2 ASP A 52 9.084 10.364 -1.272 1.00 1.32 O ATOM 0 H ASP A 52 6.659 8.939 -3.924 1.00 0.89 H new ATOM 0 HA ASP A 52 6.721 11.672 -3.157 1.00 0.90 H new ATOM 0 HB2 ASP A 52 8.878 9.898 -4.376 1.00 0.94 H new ATOM 0 HB3 ASP A 52 9.149 11.411 -3.533 1.00 0.94 H new ATOM 840 N GLY A 53 7.211 13.014 -5.244 1.00 1.02 N ATOM 841 CA GLY A 53 7.230 13.781 -6.475 1.00 1.10 C ATOM 842 C GLY A 53 5.934 14.526 -6.725 1.00 1.05 C ATOM 843 O GLY A 53 5.866 15.399 -7.592 1.00 1.14 O ATOM 0 H GLY A 53 7.304 13.567 -4.392 1.00 1.02 H new ATOM 0 HA2 GLY A 53 8.053 14.495 -6.440 1.00 1.10 H new ATOM 0 HA3 GLY A 53 7.425 13.111 -7.312 1.00 1.10 H new ATOM 847 N ARG A 54 4.899 14.178 -5.977 1.00 0.93 N ATOM 848 CA ARG A 54 3.605 14.826 -6.121 1.00 0.91 C ATOM 849 C ARG A 54 3.191 15.490 -4.813 1.00 0.83 C ATOM 850 O ARG A 54 3.769 15.215 -3.760 1.00 0.82 O ATOM 851 CB ARG A 54 2.548 13.813 -6.566 1.00 0.93 C ATOM 852 CG ARG A 54 2.686 13.386 -8.021 1.00 1.03 C ATOM 853 CD ARG A 54 2.359 14.528 -8.971 1.00 1.30 C ATOM 854 NE ARG A 54 2.524 14.152 -10.373 1.00 1.89 N ATOM 855 CZ ARG A 54 1.877 14.738 -11.380 1.00 2.64 C ATOM 856 NH1 ARG A 54 0.994 15.701 -11.149 1.00 2.91 N ATOM 857 NH2 ARG A 54 2.120 14.358 -12.627 1.00 3.46 N ATOM 0 H ARG A 54 4.930 13.450 -5.263 1.00 0.93 H new ATOM 0 HA ARG A 54 3.688 15.598 -6.886 1.00 0.91 H new ATOM 0 HB2 ARG A 54 2.612 12.930 -5.930 1.00 0.93 H new ATOM 0 HB3 ARG A 54 1.558 14.244 -6.415 1.00 0.93 H new ATOM 0 HG2 ARG A 54 3.703 13.039 -8.204 1.00 1.03 H new ATOM 0 HG3 ARG A 54 2.021 12.545 -8.219 1.00 1.03 H new ATOM 0 HD2 ARG A 54 1.332 14.853 -8.804 1.00 1.30 H new ATOM 0 HD3 ARG A 54 3.003 15.378 -8.748 1.00 1.30 H new ATOM 0 HE ARG A 54 3.173 13.396 -10.594 1.00 1.89 H new ATOM 0 HH11 ARG A 54 0.804 16.000 -10.193 1.00 2.91 H new ATOM 0 HH12 ARG A 54 0.505 16.142 -11.928 1.00 2.91 H new ATOM 0 HH21 ARG A 54 2.800 13.620 -12.812 1.00 3.46 H new ATOM 0 HH22 ARG A 54 1.627 14.803 -13.401 1.00 3.46 H new ATOM 871 N THR A 55 2.199 16.363 -4.886 1.00 0.80 N ATOM 872 CA THR A 55 1.716 17.077 -3.714 1.00 0.76 C ATOM 873 C THR A 55 0.295 16.651 -3.363 1.00 0.71 C ATOM 874 O THR A 55 -0.336 15.904 -4.114 1.00 0.73 O ATOM 875 CB THR A 55 1.735 18.602 -3.951 1.00 0.81 C ATOM 876 OG1 THR A 55 0.911 18.944 -5.077 1.00 1.06 O ATOM 877 CG2 THR A 55 3.154 19.096 -4.190 1.00 0.96 C ATOM 0 H THR A 55 1.710 16.595 -5.750 1.00 0.80 H new ATOM 0 HA THR A 55 2.382 16.830 -2.888 1.00 0.76 H new ATOM 0 HB THR A 55 1.341 19.085 -3.057 1.00 0.81 H new ATOM 0 HG1 THR A 55 1.286 18.545 -5.890 1.00 1.06 H new ATOM 0 HG21 THR A 55 3.141 20.173 -4.354 1.00 0.96 H new ATOM 0 HG22 THR A 55 3.770 18.869 -3.320 1.00 0.96 H new ATOM 0 HG23 THR A 55 3.569 18.600 -5.067 1.00 0.96 H new ATOM 885 N LEU A 56 -0.202 17.116 -2.218 1.00 0.68 N ATOM 886 CA LEU A 56 -1.563 16.799 -1.787 1.00 0.67 C ATOM 887 C LEU A 56 -2.563 17.213 -2.862 1.00 0.70 C ATOM 888 O LEU A 56 -3.469 16.454 -3.211 1.00 0.71 O ATOM 889 CB LEU A 56 -1.909 17.511 -0.471 1.00 0.68 C ATOM 890 CG LEU A 56 -1.334 16.893 0.814 1.00 0.76 C ATOM 891 CD1 LEU A 56 -0.849 15.471 0.586 1.00 1.34 C ATOM 892 CD2 LEU A 56 -0.213 17.756 1.361 1.00 1.26 C ATOM 0 H LEU A 56 0.316 17.713 -1.573 1.00 0.68 H new ATOM 0 HA LEU A 56 -1.619 15.722 -1.626 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -1.562 18.542 -0.539 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -2.994 17.546 -0.377 1.00 0.68 H new ATOM 0 HG LEU A 56 -2.138 16.852 1.549 1.00 0.76 H new ATOM 0 HD11 LEU A 56 -0.450 15.069 1.517 1.00 1.34 H new ATOM 0 HD12 LEU A 56 -1.681 14.852 0.251 1.00 1.34 H new ATOM 0 HD13 LEU A 56 -0.067 15.471 -0.174 1.00 1.34 H new ATOM 0 HD21 LEU A 56 0.183 17.304 2.271 1.00 1.26 H new ATOM 0 HD22 LEU A 56 0.582 17.834 0.619 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -0.597 18.751 1.587 1.00 1.26 H new ATOM 904 N SER A 57 -2.378 18.421 -3.382 1.00 0.74 N ATOM 905 CA SER A 57 -3.230 18.981 -4.422 1.00 0.79 C ATOM 906 C SER A 57 -3.280 18.111 -5.683 1.00 0.82 C ATOM 907 O SER A 57 -4.233 18.191 -6.458 1.00 0.84 O ATOM 908 CB SER A 57 -2.706 20.374 -4.769 1.00 0.86 C ATOM 909 OG SER A 57 -1.374 20.534 -4.297 1.00 0.95 O ATOM 0 H SER A 57 -1.625 19.044 -3.090 1.00 0.74 H new ATOM 0 HA SER A 57 -4.250 19.027 -4.040 1.00 0.79 H new ATOM 0 HB2 SER A 57 -2.736 20.523 -5.848 1.00 0.86 H new ATOM 0 HB3 SER A 57 -3.350 21.133 -4.324 1.00 0.86 H new ATOM 0 HG SER A 57 -0.792 19.876 -4.731 1.00 0.95 H new ATOM 915 N ASP A 58 -2.277 17.261 -5.866 1.00 0.83 N ATOM 916 CA ASP A 58 -2.217 16.404 -7.045 1.00 0.88 C ATOM 917 C ASP A 58 -3.197 15.254 -6.911 1.00 0.88 C ATOM 918 O ASP A 58 -3.807 14.815 -7.888 1.00 0.94 O ATOM 919 CB ASP A 58 -0.810 15.840 -7.247 1.00 0.89 C ATOM 920 CG ASP A 58 0.154 16.845 -7.835 1.00 0.87 C ATOM 921 OD1 ASP A 58 0.017 17.185 -9.028 1.00 1.03 O ATOM 922 OD2 ASP A 58 1.064 17.289 -7.109 1.00 1.03 O ATOM 0 H ASP A 58 -1.498 17.146 -5.218 1.00 0.83 H new ATOM 0 HA ASP A 58 -2.480 17.014 -7.909 1.00 0.88 H new ATOM 0 HB2 ASP A 58 -0.423 15.493 -6.289 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -0.864 14.971 -7.903 1.00 0.89 H new ATOM 927 N TYR A 59 -3.353 14.774 -5.689 1.00 0.84 N ATOM 928 CA TYR A 59 -4.244 13.661 -5.416 1.00 0.87 C ATOM 929 C TYR A 59 -5.573 14.130 -4.832 1.00 0.86 C ATOM 930 O TYR A 59 -6.314 13.327 -4.265 1.00 0.89 O ATOM 931 CB TYR A 59 -3.585 12.681 -4.451 1.00 0.81 C ATOM 932 CG TYR A 59 -2.260 12.133 -4.930 1.00 0.82 C ATOM 933 CD1 TYR A 59 -2.206 11.140 -5.898 1.00 0.90 C ATOM 934 CD2 TYR A 59 -1.066 12.595 -4.397 1.00 0.84 C ATOM 935 CE1 TYR A 59 -0.997 10.622 -6.321 1.00 0.98 C ATOM 936 CE2 TYR A 59 0.146 12.086 -4.818 1.00 0.91 C ATOM 937 CZ TYR A 59 0.176 11.099 -5.777 1.00 0.98 C ATOM 938 OH TYR A 59 1.385 10.585 -6.190 1.00 1.11 O ATOM 0 H TYR A 59 -2.872 15.140 -4.868 1.00 0.84 H new ATOM 0 HA TYR A 59 -4.445 13.166 -6.366 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -3.434 13.178 -3.493 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -4.267 11.849 -4.274 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -3.124 10.766 -6.328 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -1.085 13.365 -3.640 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -0.971 9.848 -7.074 1.00 0.98 H new ATOM 0 HE2 TYR A 59 1.067 12.461 -4.397 1.00 0.91 H new ATOM 0 HH TYR A 59 1.492 10.734 -7.153 1.00 1.11 H new ATOM 948 N ASN A 60 -5.868 15.426 -4.969 1.00 0.86 N ATOM 949 CA ASN A 60 -7.117 16.008 -4.459 1.00 0.87 C ATOM 950 C ASN A 60 -7.220 15.895 -2.936 1.00 0.80 C ATOM 951 O ASN A 60 -8.315 15.941 -2.366 1.00 0.81 O ATOM 952 CB ASN A 60 -8.334 15.351 -5.126 1.00 0.95 C ATOM 953 CG ASN A 60 -9.576 16.222 -5.054 1.00 1.00 C ATOM 954 OD1 ASN A 60 -9.497 17.448 -5.128 1.00 0.99 O ATOM 955 ND2 ASN A 60 -10.730 15.598 -4.909 1.00 1.07 N ATOM 0 H ASN A 60 -5.255 16.098 -5.432 1.00 0.86 H new ATOM 0 HA ASN A 60 -7.105 17.068 -4.711 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -8.102 15.139 -6.170 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -8.536 14.394 -4.644 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -11.596 16.134 -4.855 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -10.756 14.580 -4.851 1.00 1.07 H new ATOM 962 N ILE A 61 -6.079 15.766 -2.274 1.00 0.75 N ATOM 963 CA ILE A 61 -6.046 15.652 -0.824 1.00 0.70 C ATOM 964 C ILE A 61 -6.232 17.022 -0.189 1.00 0.72 C ATOM 965 O ILE A 61 -5.477 17.955 -0.468 1.00 0.76 O ATOM 966 CB ILE A 61 -4.728 15.021 -0.331 1.00 0.66 C ATOM 967 CG1 ILE A 61 -4.551 13.629 -0.943 1.00 0.66 C ATOM 968 CG2 ILE A 61 -4.708 14.941 1.191 1.00 0.63 C ATOM 969 CD1 ILE A 61 -3.153 13.072 -0.795 1.00 0.63 C ATOM 0 H ILE A 61 -5.162 15.738 -2.720 1.00 0.75 H new ATOM 0 HA ILE A 61 -6.863 14.996 -0.525 1.00 0.70 H new ATOM 0 HB ILE A 61 -3.899 15.652 -0.650 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -5.257 12.943 -0.474 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -4.805 13.673 -2.002 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -3.770 14.493 1.520 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -4.797 15.944 1.609 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -5.542 14.329 1.534 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -3.105 12.084 -1.252 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.443 13.735 -1.289 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -2.902 12.995 0.263 1.00 0.63 H new ATOM 981 N GLN A 62 -7.240 17.134 0.660 1.00 0.72 N ATOM 982 CA GLN A 62 -7.549 18.392 1.320 1.00 0.75 C ATOM 983 C GLN A 62 -7.657 18.198 2.826 1.00 0.73 C ATOM 984 O GLN A 62 -7.216 17.183 3.368 1.00 0.70 O ATOM 985 CB GLN A 62 -8.869 18.945 0.778 1.00 0.82 C ATOM 986 CG GLN A 62 -8.801 19.413 -0.663 1.00 0.86 C ATOM 987 CD GLN A 62 -10.129 19.260 -1.372 1.00 0.98 C ATOM 988 OE1 GLN A 62 -10.997 20.125 -1.283 1.00 1.04 O ATOM 989 NE2 GLN A 62 -10.297 18.157 -2.079 1.00 1.14 N ATOM 0 H GLN A 62 -7.861 16.365 0.909 1.00 0.72 H new ATOM 0 HA GLN A 62 -6.743 19.098 1.118 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -9.635 18.174 0.862 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -9.186 19.779 1.405 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -8.494 20.458 -0.691 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -8.039 18.843 -1.194 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -9.551 17.463 -2.127 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -11.173 17.999 -2.577 1.00 1.14 H new ATOM 998 N LYS A 63 -8.224 19.184 3.500 1.00 0.78 N ATOM 999 CA LYS A 63 -8.415 19.116 4.937 1.00 0.81 C ATOM 1000 C LYS A 63 -9.432 18.031 5.284 1.00 0.84 C ATOM 1001 O LYS A 63 -10.276 17.671 4.455 1.00 0.88 O ATOM 1002 CB LYS A 63 -8.883 20.470 5.475 1.00 0.89 C ATOM 1003 CG LYS A 63 -10.233 20.914 4.930 1.00 0.98 C ATOM 1004 CD LYS A 63 -10.509 22.381 5.224 1.00 1.05 C ATOM 1005 CE LYS A 63 -9.741 23.295 4.284 1.00 1.20 C ATOM 1006 NZ LYS A 63 -10.194 23.160 2.872 1.00 1.50 N ATOM 0 H LYS A 63 -8.562 20.046 3.071 1.00 0.78 H new ATOM 0 HA LYS A 63 -7.462 18.865 5.403 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -8.940 20.419 6.562 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -8.136 21.226 5.230 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -10.262 20.748 3.853 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -11.021 20.301 5.368 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -11.577 22.577 5.130 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -10.233 22.604 6.255 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -9.863 24.329 4.606 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -8.677 23.066 4.346 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -9.924 24.011 2.338 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -9.747 22.325 2.442 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -11.228 23.050 2.848 1.00 1.50 H new ATOM 1020 N GLU A 64 -9.334 17.515 6.506 1.00 0.86 N ATOM 1021 CA GLU A 64 -10.227 16.464 7.010 1.00 0.91 C ATOM 1022 C GLU A 64 -10.158 15.180 6.179 1.00 0.83 C ATOM 1023 O GLU A 64 -10.973 14.274 6.358 1.00 0.87 O ATOM 1024 CB GLU A 64 -11.673 16.961 7.070 1.00 1.04 C ATOM 1025 CG GLU A 64 -11.872 18.152 7.989 1.00 1.15 C ATOM 1026 CD GLU A 64 -11.173 17.981 9.320 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -11.698 17.247 10.185 1.00 1.73 O ATOM 1028 OE2 GLU A 64 -10.095 18.584 9.506 1.00 1.64 O ATOM 0 H GLU A 64 -8.630 17.813 7.182 1.00 0.86 H new ATOM 0 HA GLU A 64 -9.881 16.224 8.015 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -11.997 17.231 6.065 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -12.315 16.145 7.403 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -11.498 19.051 7.499 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -12.938 18.301 8.159 1.00 1.15 H new ATOM 1035 N SER A 65 -9.200 15.102 5.269 1.00 0.74 N ATOM 1036 CA SER A 65 -9.052 13.921 4.441 1.00 0.68 C ATOM 1037 C SER A 65 -8.281 12.847 5.195 1.00 0.61 C ATOM 1038 O SER A 65 -7.448 13.153 6.051 1.00 0.59 O ATOM 1039 CB SER A 65 -8.360 14.268 3.123 1.00 0.65 C ATOM 1040 OG SER A 65 -9.103 15.244 2.410 1.00 0.72 O ATOM 0 H SER A 65 -8.518 15.839 5.087 1.00 0.74 H new ATOM 0 HA SER A 65 -10.043 13.533 4.205 1.00 0.68 H new ATOM 0 HB2 SER A 65 -7.355 14.641 3.321 1.00 0.65 H new ATOM 0 HB3 SER A 65 -8.252 13.370 2.515 1.00 0.65 H new ATOM 0 HG SER A 65 -9.231 14.947 1.485 1.00 0.72 H new ATOM 1046 N THR A 66 -8.563 11.596 4.880 1.00 0.59 N ATOM 1047 CA THR A 66 -7.914 10.478 5.531 1.00 0.57 C ATOM 1048 C THR A 66 -7.062 9.698 4.537 1.00 0.55 C ATOM 1049 O THR A 66 -7.542 9.279 3.482 1.00 0.61 O ATOM 1050 CB THR A 66 -8.955 9.538 6.168 1.00 0.66 C ATOM 1051 OG1 THR A 66 -9.794 10.283 7.061 1.00 0.76 O ATOM 1052 CG2 THR A 66 -8.283 8.403 6.926 1.00 0.68 C ATOM 0 H THR A 66 -9.245 11.330 4.170 1.00 0.59 H new ATOM 0 HA THR A 66 -7.270 10.876 6.315 1.00 0.57 H new ATOM 0 HB THR A 66 -9.556 9.105 5.369 1.00 0.66 H new ATOM 0 HG1 THR A 66 -10.457 9.684 7.464 1.00 0.76 H new ATOM 0 HG21 THR A 66 -9.044 7.757 7.364 1.00 0.68 H new ATOM 0 HG22 THR A 66 -7.666 7.823 6.240 1.00 0.68 H new ATOM 0 HG23 THR A 66 -7.657 8.815 7.718 1.00 0.68 H new ATOM 1060 N LEU A 67 -5.796 9.515 4.874 1.00 0.51 N ATOM 1061 CA LEU A 67 -4.877 8.787 4.019 1.00 0.53 C ATOM 1062 C LEU A 67 -4.507 7.465 4.676 1.00 0.56 C ATOM 1063 O LEU A 67 -4.241 7.418 5.875 1.00 0.77 O ATOM 1064 CB LEU A 67 -3.606 9.608 3.765 1.00 0.53 C ATOM 1065 CG LEU A 67 -3.831 11.082 3.417 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -2.501 11.804 3.269 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -4.652 11.215 2.143 1.00 0.84 C ATOM 0 H LEU A 67 -5.381 9.863 5.738 1.00 0.51 H new ATOM 0 HA LEU A 67 -5.367 8.599 3.063 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -2.977 9.555 4.653 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -3.050 9.142 2.952 1.00 0.53 H new ATOM 0 HG LEU A 67 -4.387 11.544 4.233 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -2.681 12.850 3.022 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -1.947 11.742 4.206 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -1.920 11.338 2.473 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -4.800 12.270 1.914 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -4.125 10.735 1.318 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -5.620 10.735 2.282 1.00 0.84 H new ATOM 1079 N HIS A 68 -4.518 6.395 3.899 1.00 0.50 N ATOM 1080 CA HIS A 68 -4.167 5.078 4.411 1.00 0.54 C ATOM 1081 C HIS A 68 -2.653 4.936 4.482 1.00 0.49 C ATOM 1082 O HIS A 68 -1.959 5.112 3.481 1.00 0.50 O ATOM 1083 CB HIS A 68 -4.740 3.969 3.522 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.132 3.540 3.879 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -6.563 3.350 5.176 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -7.186 3.225 3.087 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -7.818 2.939 5.160 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -8.220 2.854 3.906 1.00 1.45 N ATOM 0 H HIS A 68 -4.766 6.411 2.910 1.00 0.50 H new ATOM 0 HA HIS A 68 -4.595 4.979 5.409 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -4.733 4.311 2.487 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -4.082 3.102 3.575 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -7.207 3.260 2.008 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -8.416 2.710 6.030 1.00 1.33 H new ATOM 0 HE2 HIS A 68 -9.147 2.561 3.597 1.00 1.45 H new ATOM 1097 N LEU A 69 -2.154 4.637 5.665 1.00 0.48 N ATOM 1098 CA LEU A 69 -0.724 4.464 5.868 1.00 0.47 C ATOM 1099 C LEU A 69 -0.390 2.988 6.015 1.00 0.53 C ATOM 1100 O LEU A 69 -0.965 2.291 6.849 1.00 0.64 O ATOM 1101 CB LEU A 69 -0.251 5.242 7.101 1.00 0.49 C ATOM 1102 CG LEU A 69 1.220 5.039 7.488 1.00 0.67 C ATOM 1103 CD1 LEU A 69 2.140 5.601 6.415 1.00 0.90 C ATOM 1104 CD2 LEU A 69 1.509 5.688 8.834 1.00 1.00 C ATOM 0 H LEU A 69 -2.718 4.508 6.505 1.00 0.48 H new ATOM 0 HA LEU A 69 -0.203 4.858 4.996 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -0.418 6.304 6.924 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -0.874 4.958 7.949 1.00 0.49 H new ATOM 0 HG LEU A 69 1.409 3.969 7.572 1.00 0.67 H new ATOM 0 HD11 LEU A 69 3.178 5.447 6.709 1.00 0.90 H new ATOM 0 HD12 LEU A 69 1.951 5.092 5.470 1.00 0.90 H new ATOM 0 HD13 LEU A 69 1.951 6.668 6.296 1.00 0.90 H new ATOM 0 HD21 LEU A 69 2.556 5.535 9.094 1.00 1.00 H new ATOM 0 HD22 LEU A 69 1.302 6.757 8.775 1.00 1.00 H new ATOM 0 HD23 LEU A 69 0.876 5.238 9.598 1.00 1.00 H new ATOM 1116 N VAL A 70 0.507 2.504 5.180 1.00 0.53 N ATOM 1117 CA VAL A 70 0.923 1.112 5.237 1.00 0.59 C ATOM 1118 C VAL A 70 2.403 1.033 5.575 1.00 0.57 C ATOM 1119 O VAL A 70 3.212 1.785 5.029 1.00 0.57 O ATOM 1120 CB VAL A 70 0.661 0.378 3.907 1.00 0.65 C ATOM 1121 CG1 VAL A 70 0.746 -1.126 4.099 1.00 1.08 C ATOM 1122 CG2 VAL A 70 -0.687 0.775 3.328 1.00 1.05 C ATOM 0 H VAL A 70 0.964 3.053 4.452 1.00 0.53 H new ATOM 0 HA VAL A 70 0.333 0.623 6.012 1.00 0.59 H new ATOM 0 HB VAL A 70 1.433 0.674 3.197 1.00 0.65 H new ATOM 0 HG11 VAL A 70 0.558 -1.625 3.149 1.00 1.08 H new ATOM 0 HG12 VAL A 70 1.740 -1.391 4.458 1.00 1.08 H new ATOM 0 HG13 VAL A 70 0.001 -1.442 4.829 1.00 1.08 H new ATOM 0 HG21 VAL A 70 -0.850 0.245 2.390 1.00 1.05 H new ATOM 0 HG22 VAL A 70 -1.477 0.516 4.033 1.00 1.05 H new ATOM 0 HG23 VAL A 70 -0.702 1.849 3.145 1.00 1.05 H new ATOM 1132 N LEU A 71 2.753 0.132 6.481 1.00 0.61 N ATOM 1133 CA LEU A 71 4.138 -0.026 6.903 1.00 0.63 C ATOM 1134 C LEU A 71 4.879 -1.012 6.004 1.00 0.64 C ATOM 1135 O LEU A 71 4.423 -2.133 5.780 1.00 0.70 O ATOM 1136 CB LEU A 71 4.196 -0.509 8.354 1.00 0.73 C ATOM 1137 CG LEU A 71 3.184 0.139 9.305 1.00 0.86 C ATOM 1138 CD1 LEU A 71 3.152 -0.597 10.635 1.00 0.97 C ATOM 1139 CD2 LEU A 71 3.512 1.610 9.518 1.00 0.98 C ATOM 0 H LEU A 71 2.097 -0.501 6.939 1.00 0.61 H new ATOM 0 HA LEU A 71 4.625 0.946 6.824 1.00 0.63 H new ATOM 0 HB2 LEU A 71 4.041 -1.588 8.366 1.00 0.73 H new ATOM 0 HB3 LEU A 71 5.199 -0.327 8.740 1.00 0.73 H new ATOM 0 HG LEU A 71 2.196 0.070 8.850 1.00 0.86 H new ATOM 0 HD11 LEU A 71 2.428 -0.122 11.296 1.00 0.97 H new ATOM 0 HD12 LEU A 71 2.866 -1.636 10.469 1.00 0.97 H new ATOM 0 HD13 LEU A 71 4.140 -0.562 11.094 1.00 0.97 H new ATOM 0 HD21 LEU A 71 2.782 2.051 10.196 1.00 0.98 H new ATOM 0 HD22 LEU A 71 4.509 1.702 9.949 1.00 0.98 H new ATOM 0 HD23 LEU A 71 3.481 2.132 8.562 1.00 0.98 H new ATOM 1151 N ARG A 72 6.024 -0.594 5.488 1.00 0.88 N ATOM 1152 CA ARG A 72 6.835 -1.446 4.625 1.00 0.97 C ATOM 1153 C ARG A 72 7.834 -2.243 5.473 1.00 1.16 C ATOM 1154 O ARG A 72 9.050 -2.165 5.286 1.00 1.48 O ATOM 1155 CB ARG A 72 7.553 -0.584 3.578 1.00 1.07 C ATOM 1156 CG ARG A 72 8.343 -1.360 2.530 1.00 1.39 C ATOM 1157 CD ARG A 72 7.446 -2.195 1.626 1.00 1.15 C ATOM 1158 NE ARG A 72 7.054 -3.459 2.251 1.00 1.50 N ATOM 1159 CZ ARG A 72 7.883 -4.479 2.457 1.00 1.88 C ATOM 1160 NH1 ARG A 72 9.147 -4.414 2.048 1.00 2.11 N ATOM 1161 NH2 ARG A 72 7.446 -5.571 3.066 1.00 2.62 N ATOM 0 H ARG A 72 6.416 0.333 5.651 1.00 0.88 H new ATOM 0 HA ARG A 72 6.196 -2.156 4.101 1.00 0.97 H new ATOM 0 HB2 ARG A 72 6.812 0.033 3.069 1.00 1.07 H new ATOM 0 HB3 ARG A 72 8.233 0.095 4.093 1.00 1.07 H new ATOM 0 HG2 ARG A 72 8.918 -0.662 1.922 1.00 1.39 H new ATOM 0 HG3 ARG A 72 9.060 -2.013 3.029 1.00 1.39 H new ATOM 0 HD2 ARG A 72 6.553 -1.623 1.375 1.00 1.15 H new ATOM 0 HD3 ARG A 72 7.966 -2.400 0.690 1.00 1.15 H new ATOM 0 HE ARG A 72 6.084 -3.565 2.547 1.00 1.50 H new ATOM 0 HH11 ARG A 72 9.487 -3.578 1.573 1.00 2.11 H new ATOM 0 HH12 ARG A 72 9.776 -5.200 2.210 1.00 2.11 H new ATOM 0 HH21 ARG A 72 6.476 -5.629 3.376 1.00 2.62 H new ATOM 0 HH22 ARG A 72 8.080 -6.354 3.225 1.00 2.62 H new ATOM 1233 N MET B 1 -4.481 -24.208 0.898 1.00 0.61 N ATOM 1234 CA MET B 1 -5.549 -23.398 1.521 1.00 0.57 C ATOM 1235 C MET B 1 -5.900 -22.230 0.611 1.00 0.53 C ATOM 1236 O MET B 1 -5.108 -21.854 -0.248 1.00 0.56 O ATOM 1237 CB MET B 1 -5.097 -22.886 2.892 1.00 0.59 C ATOM 1238 CG MET B 1 -3.955 -21.883 2.823 1.00 0.58 C ATOM 1239 SD MET B 1 -3.204 -21.564 4.429 1.00 0.63 S ATOM 1240 CE MET B 1 -2.037 -20.277 3.995 1.00 0.64 C ATOM 0 H1 MET B 1 -4.078 -24.854 1.606 1.00 0.61 H new ATOM 0 H2 MET B 1 -4.878 -24.760 0.111 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.734 -23.580 0.538 1.00 0.61 H new ATOM 0 HA MET B 1 -6.433 -24.020 1.661 1.00 0.57 H new ATOM 0 HB2 MET B 1 -5.946 -22.423 3.395 1.00 0.59 H new ATOM 0 HB3 MET B 1 -4.788 -23.734 3.503 1.00 0.59 H new ATOM 0 HG2 MET B 1 -3.193 -22.255 2.138 1.00 0.58 H new ATOM 0 HG3 MET B 1 -4.326 -20.946 2.408 1.00 0.58 H new ATOM 0 HE1 MET B 1 -1.347 -20.117 4.823 1.00 0.64 H new ATOM 0 HE2 MET B 1 -1.477 -20.577 3.109 1.00 0.64 H new ATOM 0 HE3 MET B 1 -2.576 -19.352 3.788 1.00 0.64 H new ATOM 1252 N GLN B 2 -7.079 -21.658 0.781 1.00 0.59 N ATOM 1253 CA GLN B 2 -7.490 -20.540 -0.050 1.00 0.58 C ATOM 1254 C GLN B 2 -7.677 -19.284 0.789 1.00 0.55 C ATOM 1255 O GLN B 2 -8.196 -19.335 1.907 1.00 0.63 O ATOM 1256 CB GLN B 2 -8.770 -20.885 -0.810 1.00 0.69 C ATOM 1257 CG GLN B 2 -8.541 -21.889 -1.928 1.00 1.50 C ATOM 1258 CD GLN B 2 -9.689 -22.862 -2.088 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -10.854 -22.507 -1.898 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -9.373 -24.099 -2.422 1.00 2.50 N ATOM 0 H GLN B 2 -7.763 -21.946 1.480 1.00 0.59 H new ATOM 0 HA GLN B 2 -6.703 -20.342 -0.777 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -9.504 -21.287 -0.112 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -9.195 -19.973 -1.229 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -8.391 -21.354 -2.866 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -7.625 -22.445 -1.729 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -8.397 -24.354 -2.571 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -10.105 -24.801 -2.532 1.00 2.50 H new ATOM 1269 N ILE B 3 -7.229 -18.161 0.255 1.00 0.50 N ATOM 1270 CA ILE B 3 -7.336 -16.890 0.954 1.00 0.50 C ATOM 1271 C ILE B 3 -8.261 -15.942 0.210 1.00 0.50 C ATOM 1272 O ILE B 3 -8.488 -16.096 -0.992 1.00 0.50 O ATOM 1273 CB ILE B 3 -5.958 -16.217 1.125 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -5.228 -16.137 -0.221 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -5.122 -16.975 2.148 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -3.987 -15.272 -0.191 1.00 0.55 C ATOM 0 H ILE B 3 -6.787 -18.102 -0.662 1.00 0.50 H new ATOM 0 HA ILE B 3 -7.747 -17.104 1.941 1.00 0.50 H new ATOM 0 HB ILE B 3 -6.110 -15.201 1.490 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -4.951 -17.144 -0.534 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -5.914 -15.747 -0.973 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -4.153 -16.489 2.258 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -5.637 -16.978 3.108 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -4.977 -18.001 1.811 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.525 -15.264 -1.178 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -4.259 -14.255 0.090 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -3.281 -15.673 0.536 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.799 -14.974 0.932 1.00 0.54 N ATOM 1289 CA PHE B 4 -9.688 -13.988 0.348 1.00 0.58 C ATOM 1290 C PHE B 4 -8.939 -12.678 0.179 1.00 0.56 C ATOM 1291 O PHE B 4 -8.507 -12.072 1.157 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.925 -13.783 1.229 1.00 0.65 C ATOM 1293 CG PHE B 4 -11.847 -14.971 1.265 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -11.625 -16.016 2.149 1.00 1.07 C ATOM 1295 CD2 PHE B 4 -12.937 -15.042 0.412 1.00 1.13 C ATOM 1296 CE1 PHE B 4 -12.471 -17.108 2.181 1.00 1.13 C ATOM 1297 CE2 PHE B 4 -13.788 -16.131 0.441 1.00 1.24 C ATOM 1298 CZ PHE B 4 -13.554 -17.165 1.326 1.00 0.96 C ATOM 0 H PHE B 4 -8.633 -14.851 1.931 1.00 0.54 H new ATOM 0 HA PHE B 4 -10.024 -14.344 -0.626 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -10.602 -13.554 2.245 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -11.478 -12.916 0.867 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -10.780 -15.976 2.821 1.00 1.07 H new ATOM 0 HD2 PHE B 4 -13.124 -14.237 -0.283 1.00 1.13 H new ATOM 0 HE1 PHE B 4 -12.286 -17.916 2.874 1.00 1.13 H new ATOM 0 HE2 PHE B 4 -14.635 -16.173 -0.228 1.00 1.24 H new ATOM 0 HZ PHE B 4 -14.217 -18.017 1.349 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.779 -12.249 -1.057 1.00 0.54 N ATOM 1309 CA VAL B 5 -8.067 -11.019 -1.349 1.00 0.54 C ATOM 1310 C VAL B 5 -9.055 -9.897 -1.633 1.00 0.55 C ATOM 1311 O VAL B 5 -9.682 -9.855 -2.692 1.00 0.55 O ATOM 1312 CB VAL B 5 -7.109 -11.183 -2.549 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -6.209 -9.968 -2.690 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -6.277 -12.450 -2.408 1.00 0.57 C ATOM 0 H VAL B 5 -9.134 -12.736 -1.880 1.00 0.54 H new ATOM 0 HA VAL B 5 -7.469 -10.770 -0.472 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.712 -11.269 -3.453 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.543 -10.106 -3.542 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.820 -9.079 -2.847 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.618 -9.846 -1.783 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -5.610 -12.544 -3.265 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.687 -12.398 -1.493 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.937 -13.316 -2.365 1.00 0.57 H new ATOM 1324 N LYS B 6 -9.204 -9.007 -0.668 1.00 0.57 N ATOM 1325 CA LYS B 6 -10.112 -7.882 -0.789 1.00 0.59 C ATOM 1326 C LYS B 6 -9.388 -6.659 -1.328 1.00 0.77 C ATOM 1327 O LYS B 6 -8.422 -6.180 -0.731 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.736 -7.551 0.569 1.00 0.59 C ATOM 1329 CG LYS B 6 -12.089 -8.198 0.798 1.00 0.89 C ATOM 1330 CD LYS B 6 -13.122 -7.700 -0.200 1.00 1.36 C ATOM 1331 CE LYS B 6 -14.530 -8.052 0.244 1.00 1.66 C ATOM 1332 NZ LYS B 6 -15.502 -7.972 -0.878 1.00 2.10 N ATOM 0 H LYS B 6 -8.701 -9.044 0.218 1.00 0.57 H new ATOM 0 HA LYS B 6 -10.900 -8.161 -1.488 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -10.054 -7.868 1.358 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -10.842 -6.470 0.655 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -11.994 -9.281 0.715 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -12.429 -7.984 1.812 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -13.033 -6.619 -0.311 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -12.926 -8.138 -1.179 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -14.538 -9.059 0.660 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -14.839 -7.376 1.041 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -16.454 -8.203 -0.530 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -15.501 -7.009 -1.270 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -15.232 -8.648 -1.620 1.00 2.10 H new ATOM 1346 N THR B 7 -9.852 -6.167 -2.460 1.00 0.98 N ATOM 1347 CA THR B 7 -9.261 -4.992 -3.071 1.00 1.24 C ATOM 1348 C THR B 7 -9.889 -3.737 -2.490 1.00 1.28 C ATOM 1349 O THR B 7 -11.021 -3.779 -2.003 1.00 1.19 O ATOM 1350 CB THR B 7 -9.450 -4.994 -4.600 1.00 1.42 C ATOM 1351 OG1 THR B 7 -10.830 -5.206 -4.918 1.00 2.41 O ATOM 1352 CG2 THR B 7 -8.607 -6.077 -5.253 1.00 1.57 C ATOM 0 H THR B 7 -10.638 -6.563 -2.976 1.00 0.98 H new ATOM 0 HA THR B 7 -8.192 -5.009 -2.857 1.00 1.24 H new ATOM 0 HB THR B 7 -9.127 -4.026 -4.984 1.00 1.42 H new ATOM 0 HG1 THR B 7 -11.095 -6.108 -4.641 1.00 2.41 H new ATOM 0 HG21 THR B 7 -8.760 -6.056 -6.332 1.00 1.57 H new ATOM 0 HG22 THR B 7 -7.554 -5.901 -5.032 1.00 1.57 H new ATOM 0 HG23 THR B 7 -8.902 -7.052 -4.864 1.00 1.57 H new ATOM 1360 N LEU B 8 -9.159 -2.630 -2.539 1.00 1.48 N ATOM 1361 CA LEU B 8 -9.661 -1.356 -2.028 1.00 1.61 C ATOM 1362 C LEU B 8 -10.928 -0.948 -2.779 1.00 1.52 C ATOM 1363 O LEU B 8 -11.768 -0.215 -2.258 1.00 1.55 O ATOM 1364 CB LEU B 8 -8.594 -0.261 -2.168 1.00 1.99 C ATOM 1365 CG LEU B 8 -8.205 0.462 -0.870 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -9.365 1.291 -0.341 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -7.736 -0.531 0.184 1.00 3.45 C ATOM 0 H LEU B 8 -8.217 -2.586 -2.927 1.00 1.48 H new ATOM 0 HA LEU B 8 -9.898 -1.479 -0.971 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -7.696 -0.707 -2.596 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -8.953 0.481 -2.881 1.00 1.99 H new ATOM 0 HG LEU B 8 -7.379 1.136 -1.098 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -9.064 1.793 0.579 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -9.649 2.036 -1.085 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -10.215 0.639 -0.137 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -7.466 0.005 1.094 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -8.538 -1.236 0.402 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -6.867 -1.074 -0.189 1.00 3.45 H new ATOM 1379 N THR B 9 -11.054 -1.435 -4.007 1.00 1.49 N ATOM 1380 CA THR B 9 -12.206 -1.139 -4.841 1.00 1.52 C ATOM 1381 C THR B 9 -13.451 -1.903 -4.377 1.00 1.33 C ATOM 1382 O THR B 9 -14.573 -1.410 -4.505 1.00 1.63 O ATOM 1383 CB THR B 9 -11.902 -1.483 -6.306 1.00 1.73 C ATOM 1384 OG1 THR B 9 -10.480 -1.594 -6.484 1.00 1.99 O ATOM 1385 CG2 THR B 9 -12.451 -0.413 -7.233 1.00 1.90 C ATOM 0 H THR B 9 -10.364 -2.042 -4.448 1.00 1.49 H new ATOM 0 HA THR B 9 -12.412 -0.072 -4.752 1.00 1.52 H new ATOM 0 HB THR B 9 -12.381 -2.431 -6.551 1.00 1.73 H new ATOM 0 HG1 THR B 9 -10.284 -1.815 -7.418 1.00 1.99 H new ATOM 0 HG21 THR B 9 -12.225 -0.676 -8.266 1.00 1.90 H new ATOM 0 HG22 THR B 9 -13.531 -0.340 -7.105 1.00 1.90 H new ATOM 0 HG23 THR B 9 -11.992 0.546 -6.994 1.00 1.90 H new ATOM 1393 N GLY B 10 -13.252 -3.105 -3.838 1.00 0.95 N ATOM 1394 CA GLY B 10 -14.375 -3.891 -3.355 1.00 0.85 C ATOM 1395 C GLY B 10 -14.399 -5.316 -3.886 1.00 0.94 C ATOM 1396 O GLY B 10 -15.075 -6.179 -3.318 1.00 1.62 O ATOM 0 H GLY B 10 -12.339 -3.546 -3.728 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -14.345 -3.919 -2.266 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -15.303 -3.393 -3.636 1.00 0.85 H new ATOM 1400 N LYS B 11 -13.669 -5.573 -4.968 1.00 0.95 N ATOM 1401 CA LYS B 11 -13.631 -6.907 -5.563 1.00 0.97 C ATOM 1402 C LYS B 11 -12.888 -7.886 -4.655 1.00 0.86 C ATOM 1403 O LYS B 11 -11.976 -7.497 -3.920 1.00 0.85 O ATOM 1404 CB LYS B 11 -12.969 -6.860 -6.946 1.00 1.16 C ATOM 1405 CG LYS B 11 -13.062 -8.173 -7.708 1.00 1.35 C ATOM 1406 CD LYS B 11 -12.549 -8.043 -9.130 1.00 1.35 C ATOM 1407 CE LYS B 11 -12.754 -9.336 -9.902 1.00 1.46 C ATOM 1408 NZ LYS B 11 -12.506 -9.168 -11.356 1.00 1.62 N ATOM 0 H LYS B 11 -13.098 -4.879 -5.450 1.00 0.95 H new ATOM 0 HA LYS B 11 -14.657 -7.256 -5.678 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -13.436 -6.072 -7.537 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -11.919 -6.591 -6.829 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -12.488 -8.937 -7.184 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -14.099 -8.509 -7.726 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -13.067 -7.228 -9.635 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -11.490 -7.787 -9.116 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -12.086 -10.102 -9.508 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -13.773 -9.691 -9.748 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -12.834 -10.014 -11.864 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -13.022 -8.334 -11.702 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -11.488 -9.038 -11.522 1.00 1.62 H new ATOM 1422 N THR B 12 -13.273 -9.155 -4.721 1.00 0.80 N ATOM 1423 CA THR B 12 -12.663 -10.188 -3.900 1.00 0.72 C ATOM 1424 C THR B 12 -12.111 -11.317 -4.764 1.00 0.71 C ATOM 1425 O THR B 12 -12.791 -11.810 -5.661 1.00 0.85 O ATOM 1426 CB THR B 12 -13.686 -10.774 -2.912 1.00 0.76 C ATOM 1427 OG1 THR B 12 -14.737 -9.825 -2.679 1.00 0.93 O ATOM 1428 CG2 THR B 12 -13.020 -11.146 -1.597 1.00 0.69 C ATOM 0 H THR B 12 -14.010 -9.493 -5.340 1.00 0.80 H new ATOM 0 HA THR B 12 -11.846 -9.724 -3.347 1.00 0.72 H new ATOM 0 HB THR B 12 -14.107 -11.679 -3.349 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.525 -10.289 -2.327 1.00 0.93 H new ATOM 0 HG21 THR B 12 -13.765 -11.558 -0.916 1.00 0.69 H new ATOM 0 HG22 THR B 12 -12.244 -11.890 -1.780 1.00 0.69 H new ATOM 0 HG23 THR B 12 -12.573 -10.257 -1.151 1.00 0.69 H new ATOM 1436 N ILE B 13 -10.872 -11.708 -4.504 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.234 -12.783 -5.254 1.00 0.59 C ATOM 1438 C ILE B 13 -9.911 -13.956 -4.330 1.00 0.56 C ATOM 1439 O ILE B 13 -9.452 -13.756 -3.208 1.00 0.55 O ATOM 1440 CB ILE B 13 -8.939 -12.290 -5.940 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -9.184 -10.946 -6.633 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -8.441 -13.318 -6.948 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -7.915 -10.182 -6.948 1.00 0.70 C ATOM 0 H ILE B 13 -10.286 -11.296 -3.778 1.00 0.60 H new ATOM 0 HA ILE B 13 -10.931 -13.112 -6.025 1.00 0.59 H new ATOM 0 HB ILE B 13 -8.174 -12.157 -5.175 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -9.732 -11.120 -7.559 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -9.820 -10.330 -5.997 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -7.529 -12.953 -7.420 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -8.233 -14.258 -6.437 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -9.204 -13.480 -7.710 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -8.168 -9.242 -7.437 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -7.375 -9.976 -6.024 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -7.286 -10.778 -7.610 1.00 0.70 H new ATOM 1455 N THR B 14 -10.171 -15.173 -4.793 1.00 0.57 N ATOM 1456 CA THR B 14 -9.897 -16.369 -4.004 1.00 0.57 C ATOM 1457 C THR B 14 -9.010 -17.327 -4.792 1.00 0.55 C ATOM 1458 O THR B 14 -9.432 -17.883 -5.808 1.00 0.64 O ATOM 1459 CB THR B 14 -11.197 -17.094 -3.608 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.184 -16.141 -3.202 1.00 0.92 O ATOM 1461 CG2 THR B 14 -10.948 -18.079 -2.474 1.00 1.13 C ATOM 0 H THR B 14 -10.572 -15.358 -5.712 1.00 0.57 H new ATOM 0 HA THR B 14 -9.386 -16.052 -3.095 1.00 0.57 H new ATOM 0 HB THR B 14 -11.555 -17.646 -4.477 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.008 -16.609 -2.953 1.00 0.92 H new ATOM 0 HG21 THR B 14 -11.882 -18.577 -2.213 1.00 1.13 H new ATOM 0 HG22 THR B 14 -10.216 -18.822 -2.791 1.00 1.13 H new ATOM 0 HG23 THR B 14 -10.568 -17.544 -1.604 1.00 1.13 H new ATOM 1469 N LEU B 15 -7.784 -17.524 -4.324 1.00 0.50 N ATOM 1470 CA LEU B 15 -6.844 -18.405 -5.005 1.00 0.54 C ATOM 1471 C LEU B 15 -6.282 -19.441 -4.041 1.00 0.53 C ATOM 1472 O LEU B 15 -6.304 -19.245 -2.822 1.00 0.54 O ATOM 1473 CB LEU B 15 -5.686 -17.600 -5.612 1.00 0.60 C ATOM 1474 CG LEU B 15 -6.062 -16.234 -6.194 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -5.608 -15.115 -5.265 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -5.459 -16.058 -7.580 1.00 0.72 C ATOM 0 H LEU B 15 -7.418 -17.087 -3.478 1.00 0.50 H new ATOM 0 HA LEU B 15 -7.385 -18.913 -5.803 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -4.929 -17.451 -4.843 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -5.227 -18.197 -6.400 1.00 0.60 H new ATOM 0 HG LEU B 15 -7.147 -16.186 -6.285 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -5.883 -14.152 -5.694 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -6.089 -15.231 -4.294 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -4.526 -15.161 -5.141 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -5.737 -15.082 -7.977 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -4.373 -16.127 -7.516 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -5.834 -16.839 -8.242 1.00 0.72 H new ATOM 1488 N GLU B 16 -5.780 -20.535 -4.598 1.00 0.55 N ATOM 1489 CA GLU B 16 -5.196 -21.608 -3.812 1.00 0.55 C ATOM 1490 C GLU B 16 -3.733 -21.285 -3.517 1.00 0.53 C ATOM 1491 O GLU B 16 -2.928 -21.112 -4.435 1.00 0.54 O ATOM 1492 CB GLU B 16 -5.313 -22.934 -4.573 1.00 0.62 C ATOM 1493 CG GLU B 16 -4.775 -24.136 -3.811 1.00 1.06 C ATOM 1494 CD GLU B 16 -5.709 -24.601 -2.713 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -6.882 -24.899 -3.006 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -5.268 -24.685 -1.551 1.00 1.71 O ATOM 0 H GLU B 16 -5.767 -20.701 -5.604 1.00 0.55 H new ATOM 0 HA GLU B 16 -5.732 -21.703 -2.868 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -6.361 -23.110 -4.816 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -4.777 -22.847 -5.518 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -4.605 -24.956 -4.509 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -3.808 -23.882 -3.376 1.00 1.06 H new ATOM 1503 N VAL B 17 -3.403 -21.169 -2.243 1.00 0.54 N ATOM 1504 CA VAL B 17 -2.039 -20.854 -1.832 1.00 0.54 C ATOM 1505 C VAL B 17 -1.584 -21.736 -0.677 1.00 0.56 C ATOM 1506 O VAL B 17 -2.396 -22.219 0.111 1.00 0.57 O ATOM 1507 CB VAL B 17 -1.897 -19.375 -1.410 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -1.977 -18.455 -2.617 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.958 -19.007 -0.383 1.00 0.58 C ATOM 0 H VAL B 17 -4.059 -21.288 -1.471 1.00 0.54 H new ATOM 0 HA VAL B 17 -1.408 -21.042 -2.701 1.00 0.54 H new ATOM 0 HB VAL B 17 -0.916 -19.246 -0.953 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -1.874 -17.419 -2.293 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -1.175 -18.698 -3.314 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -2.939 -18.587 -3.112 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -2.841 -17.961 -0.098 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -3.948 -19.158 -0.813 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -2.845 -19.638 0.499 1.00 0.58 H new ATOM 1519 N GLU B 18 -0.283 -21.956 -0.594 1.00 0.59 N ATOM 1520 CA GLU B 18 0.289 -22.758 0.472 1.00 0.65 C ATOM 1521 C GLU B 18 0.888 -21.832 1.522 1.00 0.68 C ATOM 1522 O GLU B 18 1.266 -20.710 1.203 1.00 0.70 O ATOM 1523 CB GLU B 18 1.374 -23.691 -0.078 1.00 0.73 C ATOM 1524 CG GLU B 18 0.841 -24.833 -0.932 1.00 1.05 C ATOM 1525 CD GLU B 18 0.599 -24.427 -2.371 1.00 1.91 C ATOM 1526 OE1 GLU B 18 1.570 -24.395 -3.155 1.00 2.32 O ATOM 1527 OE2 GLU B 18 -0.564 -24.148 -2.731 1.00 2.71 O ATOM 0 H GLU B 18 0.400 -21.588 -1.256 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.494 -23.370 0.919 1.00 0.65 H new ATOM 0 HB2 GLU B 18 2.075 -23.104 -0.672 1.00 0.73 H new ATOM 0 HB3 GLU B 18 1.936 -24.109 0.757 1.00 0.73 H new ATOM 0 HG2 GLU B 18 1.550 -25.661 -0.907 1.00 1.05 H new ATOM 0 HG3 GLU B 18 -0.091 -25.199 -0.501 1.00 1.05 H new ATOM 1534 N PRO B 19 0.978 -22.270 2.785 1.00 0.79 N ATOM 1535 CA PRO B 19 1.555 -21.449 3.856 1.00 0.90 C ATOM 1536 C PRO B 19 2.993 -21.035 3.547 1.00 0.88 C ATOM 1537 O PRO B 19 3.449 -19.963 3.957 1.00 0.99 O ATOM 1538 CB PRO B 19 1.516 -22.369 5.079 1.00 1.03 C ATOM 1539 CG PRO B 19 0.466 -23.378 4.768 1.00 1.09 C ATOM 1540 CD PRO B 19 0.512 -23.576 3.281 1.00 0.88 C ATOM 0 HA PRO B 19 1.007 -20.517 3.995 1.00 0.90 H new ATOM 0 HB2 PRO B 19 2.483 -22.844 5.247 1.00 1.03 H new ATOM 0 HB3 PRO B 19 1.273 -21.812 5.984 1.00 1.03 H new ATOM 0 HG2 PRO B 19 0.657 -24.314 5.293 1.00 1.09 H new ATOM 0 HG3 PRO B 19 -0.517 -23.029 5.085 1.00 1.09 H new ATOM 0 HD2 PRO B 19 1.193 -24.380 3.002 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.467 -23.834 2.878 1.00 0.88 H new ATOM 1548 N SER B 20 3.696 -21.892 2.817 1.00 0.82 N ATOM 1549 CA SER B 20 5.077 -21.643 2.443 1.00 0.88 C ATOM 1550 C SER B 20 5.191 -20.914 1.101 1.00 0.86 C ATOM 1551 O SER B 20 6.297 -20.754 0.571 1.00 0.90 O ATOM 1552 CB SER B 20 5.819 -22.977 2.380 1.00 0.92 C ATOM 1553 OG SER B 20 4.902 -24.061 2.322 1.00 0.87 O ATOM 0 H SER B 20 3.324 -22.776 2.470 1.00 0.82 H new ATOM 0 HA SER B 20 5.523 -20.994 3.196 1.00 0.88 H new ATOM 0 HB2 SER B 20 6.468 -22.996 1.505 1.00 0.92 H new ATOM 0 HB3 SER B 20 6.460 -23.083 3.255 1.00 0.92 H new ATOM 0 HG SER B 20 5.397 -24.906 2.280 1.00 0.87 H new ATOM 1559 N ASP B 21 4.058 -20.478 0.549 1.00 0.81 N ATOM 1560 CA ASP B 21 4.050 -19.766 -0.726 1.00 0.80 C ATOM 1561 C ASP B 21 4.679 -18.386 -0.562 1.00 0.82 C ATOM 1562 O ASP B 21 4.804 -17.884 0.558 1.00 0.83 O ATOM 1563 CB ASP B 21 2.615 -19.624 -1.255 1.00 0.75 C ATOM 1564 CG ASP B 21 2.531 -19.687 -2.769 1.00 0.91 C ATOM 1565 OD1 ASP B 21 3.516 -19.324 -3.443 1.00 1.10 O ATOM 1566 OD2 ASP B 21 1.473 -20.106 -3.293 1.00 1.08 O ATOM 0 H ASP B 21 3.136 -20.606 0.966 1.00 0.81 H new ATOM 0 HA ASP B 21 4.633 -20.342 -1.445 1.00 0.80 H new ATOM 0 HB2 ASP B 21 1.997 -20.415 -0.829 1.00 0.75 H new ATOM 0 HB3 ASP B 21 2.200 -18.676 -0.913 1.00 0.75 H new ATOM 1571 N THR B 22 5.040 -17.765 -1.670 1.00 0.85 N ATOM 1572 CA THR B 22 5.669 -16.457 -1.638 1.00 0.89 C ATOM 1573 C THR B 22 4.691 -15.389 -2.094 1.00 0.79 C ATOM 1574 O THR B 22 3.829 -15.650 -2.935 1.00 0.73 O ATOM 1575 CB THR B 22 6.926 -16.415 -2.528 1.00 1.01 C ATOM 1576 OG1 THR B 22 6.712 -17.184 -3.721 1.00 1.11 O ATOM 1577 CG2 THR B 22 8.137 -16.953 -1.779 1.00 1.20 C ATOM 0 H THR B 22 4.908 -18.147 -2.607 1.00 0.85 H new ATOM 0 HA THR B 22 5.968 -16.262 -0.608 1.00 0.89 H new ATOM 0 HB THR B 22 7.118 -15.377 -2.798 1.00 1.01 H new ATOM 0 HG1 THR B 22 7.516 -17.150 -4.281 1.00 1.11 H new ATOM 0 HG21 THR B 22 9.013 -16.914 -2.427 1.00 1.20 H new ATOM 0 HG22 THR B 22 8.315 -16.346 -0.891 1.00 1.20 H new ATOM 0 HG23 THR B 22 7.952 -17.985 -1.482 1.00 1.20 H new ATOM 1585 N ILE B 23 4.830 -14.190 -1.544 1.00 0.80 N ATOM 1586 CA ILE B 23 3.954 -13.078 -1.892 1.00 0.73 C ATOM 1587 C ILE B 23 4.005 -12.791 -3.390 1.00 0.72 C ATOM 1588 O ILE B 23 2.984 -12.489 -4.012 1.00 0.66 O ATOM 1589 CB ILE B 23 4.331 -11.805 -1.107 1.00 0.78 C ATOM 1590 CG1 ILE B 23 4.280 -12.072 0.402 1.00 0.87 C ATOM 1591 CG2 ILE B 23 3.417 -10.642 -1.481 1.00 0.70 C ATOM 1592 CD1 ILE B 23 2.940 -12.579 0.895 1.00 0.80 C ATOM 0 H ILE B 23 5.544 -13.962 -0.852 1.00 0.80 H new ATOM 0 HA ILE B 23 2.939 -13.368 -1.622 1.00 0.73 H new ATOM 0 HB ILE B 23 5.351 -11.529 -1.375 1.00 0.78 H new ATOM 0 HG12 ILE B 23 5.049 -12.801 0.657 1.00 0.87 H new ATOM 0 HG13 ILE B 23 4.525 -11.151 0.932 1.00 0.87 H new ATOM 0 HG21 ILE B 23 3.704 -9.757 -0.914 1.00 0.70 H new ATOM 0 HG22 ILE B 23 3.509 -10.435 -2.547 1.00 0.70 H new ATOM 0 HG23 ILE B 23 2.384 -10.902 -1.250 1.00 0.70 H new ATOM 0 HD11 ILE B 23 2.987 -12.743 1.972 1.00 0.80 H new ATOM 0 HD12 ILE B 23 2.168 -11.842 0.674 1.00 0.80 H new ATOM 0 HD13 ILE B 23 2.700 -13.517 0.395 1.00 0.80 H new ATOM 1604 N GLU B 24 5.195 -12.909 -3.968 1.00 0.80 N ATOM 1605 CA GLU B 24 5.373 -12.670 -5.391 1.00 0.84 C ATOM 1606 C GLU B 24 4.567 -13.675 -6.209 1.00 0.80 C ATOM 1607 O GLU B 24 3.913 -13.307 -7.183 1.00 0.80 O ATOM 1608 CB GLU B 24 6.852 -12.749 -5.769 1.00 0.98 C ATOM 1609 CG GLU B 24 7.110 -12.506 -7.247 1.00 1.20 C ATOM 1610 CD GLU B 24 8.583 -12.440 -7.582 1.00 2.26 C ATOM 1611 OE1 GLU B 24 9.349 -13.293 -7.084 1.00 3.05 O ATOM 1612 OE2 GLU B 24 8.980 -11.542 -8.359 1.00 2.73 O ATOM 0 H GLU B 24 6.048 -13.168 -3.472 1.00 0.80 H new ATOM 0 HA GLU B 24 5.010 -11.667 -5.615 1.00 0.84 H new ATOM 0 HB2 GLU B 24 7.408 -12.016 -5.185 1.00 0.98 H new ATOM 0 HB3 GLU B 24 7.237 -13.732 -5.497 1.00 0.98 H new ATOM 0 HG2 GLU B 24 6.645 -13.303 -7.828 1.00 1.20 H new ATOM 0 HG3 GLU B 24 6.632 -11.573 -7.546 1.00 1.20 H new ATOM 1619 N ASN B 25 4.597 -14.939 -5.793 1.00 0.80 N ATOM 1620 CA ASN B 25 3.864 -15.989 -6.494 1.00 0.79 C ATOM 1621 C ASN B 25 2.365 -15.746 -6.384 1.00 0.71 C ATOM 1622 O ASN B 25 1.623 -15.969 -7.337 1.00 0.72 O ATOM 1623 CB ASN B 25 4.210 -17.369 -5.937 1.00 0.80 C ATOM 1624 CG ASN B 25 3.646 -18.493 -6.785 1.00 0.84 C ATOM 1625 OD1 ASN B 25 3.610 -18.409 -8.014 1.00 1.06 O ATOM 1626 ND2 ASN B 25 3.194 -19.550 -6.135 1.00 1.12 N ATOM 0 H ASN B 25 5.119 -15.260 -4.977 1.00 0.80 H new ATOM 0 HA ASN B 25 4.157 -15.961 -7.544 1.00 0.79 H new ATOM 0 HB2 ASN B 25 5.293 -17.472 -5.876 1.00 0.80 H new ATOM 0 HB3 ASN B 25 3.824 -17.455 -4.921 1.00 0.80 H new ATOM 0 HD21 ASN B 25 2.797 -20.335 -6.651 1.00 1.12 H new ATOM 0 HD22 ASN B 25 3.242 -19.581 -5.117 1.00 1.12 H new ATOM 1633 N VAL B 26 1.929 -15.284 -5.213 1.00 0.67 N ATOM 1634 CA VAL B 26 0.519 -14.983 -4.989 1.00 0.60 C ATOM 1635 C VAL B 26 0.059 -13.904 -5.966 1.00 0.58 C ATOM 1636 O VAL B 26 -0.990 -14.028 -6.598 1.00 0.58 O ATOM 1637 CB VAL B 26 0.252 -14.518 -3.537 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -1.218 -14.167 -3.340 1.00 0.53 C ATOM 1639 CG2 VAL B 26 0.684 -15.590 -2.544 1.00 0.62 C ATOM 0 H VAL B 26 2.531 -15.111 -4.408 1.00 0.67 H new ATOM 0 HA VAL B 26 -0.045 -15.901 -5.155 1.00 0.60 H new ATOM 0 HB VAL B 26 0.842 -13.620 -3.355 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -1.380 -13.843 -2.312 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -1.495 -13.363 -4.022 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -1.832 -15.044 -3.545 1.00 0.53 H new ATOM 0 HG21 VAL B 26 0.489 -15.245 -1.529 1.00 0.62 H new ATOM 0 HG22 VAL B 26 0.123 -16.506 -2.730 1.00 0.62 H new ATOM 0 HG23 VAL B 26 1.750 -15.787 -2.662 1.00 0.62 H new ATOM 1649 N LYS B 27 0.871 -12.862 -6.105 1.00 0.60 N ATOM 1650 CA LYS B 27 0.564 -11.767 -7.017 1.00 0.60 C ATOM 1651 C LYS B 27 0.610 -12.250 -8.463 1.00 0.62 C ATOM 1652 O LYS B 27 -0.152 -11.786 -9.315 1.00 0.61 O ATOM 1653 CB LYS B 27 1.549 -10.613 -6.820 1.00 0.64 C ATOM 1654 CG LYS B 27 1.367 -9.874 -5.506 1.00 0.59 C ATOM 1655 CD LYS B 27 2.125 -8.553 -5.490 1.00 0.66 C ATOM 1656 CE LYS B 27 3.628 -8.766 -5.408 1.00 0.96 C ATOM 1657 NZ LYS B 27 4.379 -7.490 -5.512 1.00 0.99 N ATOM 0 H LYS B 27 1.748 -12.753 -5.597 1.00 0.60 H new ATOM 0 HA LYS B 27 -0.442 -11.410 -6.797 1.00 0.60 H new ATOM 0 HB2 LYS B 27 2.566 -11.002 -6.870 1.00 0.64 H new ATOM 0 HB3 LYS B 27 1.437 -9.907 -7.643 1.00 0.64 H new ATOM 0 HG2 LYS B 27 0.306 -9.686 -5.338 1.00 0.59 H new ATOM 0 HG3 LYS B 27 1.713 -10.502 -4.685 1.00 0.59 H new ATOM 0 HD2 LYS B 27 1.887 -7.986 -6.390 1.00 0.66 H new ATOM 0 HD3 LYS B 27 1.796 -7.955 -4.640 1.00 0.66 H new ATOM 0 HE2 LYS B 27 3.874 -9.255 -4.465 1.00 0.96 H new ATOM 0 HE3 LYS B 27 3.943 -9.438 -6.207 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 5.114 -7.459 -4.777 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 4.825 -7.425 -6.449 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 3.726 -6.691 -5.383 1.00 0.99 H new ATOM 1671 N ALA B 28 1.505 -13.196 -8.730 1.00 0.67 N ATOM 1672 CA ALA B 28 1.655 -13.760 -10.063 1.00 0.73 C ATOM 1673 C ALA B 28 0.432 -14.590 -10.424 1.00 0.71 C ATOM 1674 O ALA B 28 0.025 -14.644 -11.586 1.00 0.74 O ATOM 1675 CB ALA B 28 2.921 -14.598 -10.147 1.00 0.81 C ATOM 0 H ALA B 28 2.140 -13.589 -8.035 1.00 0.67 H new ATOM 0 HA ALA B 28 1.741 -12.944 -10.781 1.00 0.73 H new ATOM 0 HB1 ALA B 28 3.017 -15.012 -11.151 1.00 0.81 H new ATOM 0 HB2 ALA B 28 3.786 -13.973 -9.928 1.00 0.81 H new ATOM 0 HB3 ALA B 28 2.868 -15.411 -9.423 1.00 0.81 H new ATOM 1681 N LYS B 29 -0.151 -15.231 -9.416 1.00 0.68 N ATOM 1682 CA LYS B 29 -1.344 -16.043 -9.610 1.00 0.70 C ATOM 1683 C LYS B 29 -2.508 -15.149 -10.015 1.00 0.70 C ATOM 1684 O LYS B 29 -3.295 -15.490 -10.897 1.00 0.76 O ATOM 1685 CB LYS B 29 -1.684 -16.814 -8.329 1.00 0.69 C ATOM 1686 CG LYS B 29 -0.783 -18.013 -8.085 1.00 0.74 C ATOM 1687 CD LYS B 29 -1.022 -18.638 -6.718 1.00 0.77 C ATOM 1688 CE LYS B 29 -0.278 -19.958 -6.582 1.00 0.84 C ATOM 1689 NZ LYS B 29 -0.407 -20.549 -5.222 1.00 1.26 N ATOM 0 H LYS B 29 0.186 -15.203 -8.454 1.00 0.68 H new ATOM 0 HA LYS B 29 -1.156 -16.767 -10.403 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -1.613 -16.137 -7.478 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -2.719 -17.152 -8.382 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -0.956 -18.760 -8.860 1.00 0.74 H new ATOM 0 HG3 LYS B 29 0.260 -17.705 -8.165 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -0.695 -17.950 -5.938 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -2.090 -18.802 -6.571 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -0.660 -20.664 -7.319 1.00 0.84 H new ATOM 0 HE3 LYS B 29 0.777 -19.802 -6.808 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 -0.224 -21.572 -5.269 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 0.282 -20.103 -4.583 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 -1.369 -20.386 -4.862 1.00 1.26 H new ATOM 1703 N ILE B 30 -2.599 -13.990 -9.370 1.00 0.65 N ATOM 1704 CA ILE B 30 -3.645 -13.024 -9.673 1.00 0.67 C ATOM 1705 C ILE B 30 -3.475 -12.488 -11.092 1.00 0.70 C ATOM 1706 O ILE B 30 -4.448 -12.170 -11.771 1.00 0.72 O ATOM 1707 CB ILE B 30 -3.628 -11.848 -8.671 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -3.684 -12.374 -7.233 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -4.790 -10.900 -8.935 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -3.503 -11.300 -6.181 1.00 0.67 C ATOM 0 H ILE B 30 -1.958 -13.698 -8.632 1.00 0.65 H new ATOM 0 HA ILE B 30 -4.604 -13.536 -9.590 1.00 0.67 H new ATOM 0 HB ILE B 30 -2.698 -11.295 -8.805 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -4.643 -12.867 -7.074 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -2.911 -13.131 -7.103 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -4.760 -10.079 -8.219 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -4.712 -10.502 -9.947 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -5.731 -11.440 -8.829 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -3.555 -11.750 -5.189 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -2.532 -10.822 -6.312 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -4.291 -10.554 -6.283 1.00 0.67 H new ATOM 1722 N GLN B 31 -2.229 -12.428 -11.543 1.00 0.74 N ATOM 1723 CA GLN B 31 -1.915 -11.942 -12.880 1.00 0.80 C ATOM 1724 C GLN B 31 -2.403 -12.932 -13.938 1.00 0.88 C ATOM 1725 O GLN B 31 -2.817 -12.544 -15.026 1.00 0.90 O ATOM 1726 CB GLN B 31 -0.408 -11.721 -13.023 1.00 0.83 C ATOM 1727 CG GLN B 31 0.005 -11.190 -14.385 1.00 0.92 C ATOM 1728 CD GLN B 31 1.508 -11.133 -14.563 1.00 0.95 C ATOM 1729 OE1 GLN B 31 2.252 -11.919 -13.973 1.00 1.10 O ATOM 1730 NE2 GLN B 31 1.964 -10.208 -15.387 1.00 1.26 N ATOM 0 H GLN B 31 -1.415 -12.712 -10.998 1.00 0.74 H new ATOM 0 HA GLN B 31 -2.427 -10.991 -13.030 1.00 0.80 H new ATOM 0 HB2 GLN B 31 -0.078 -11.022 -12.255 1.00 0.83 H new ATOM 0 HB3 GLN B 31 0.108 -12.664 -12.839 1.00 0.83 H new ATOM 0 HG2 GLN B 31 -0.424 -11.823 -15.162 1.00 0.92 H new ATOM 0 HG3 GLN B 31 -0.410 -10.192 -14.522 1.00 0.92 H new ATOM 0 HE21 GLN B 31 1.314 -9.577 -15.856 1.00 1.26 H new ATOM 0 HE22 GLN B 31 2.967 -10.124 -15.555 1.00 1.26 H new ATOM 1739 N ASP B 32 -2.361 -14.215 -13.601 1.00 0.95 N ATOM 1740 CA ASP B 32 -2.802 -15.264 -14.518 1.00 1.04 C ATOM 1741 C ASP B 32 -4.315 -15.233 -14.710 1.00 1.07 C ATOM 1742 O ASP B 32 -4.839 -15.789 -15.675 1.00 1.20 O ATOM 1743 CB ASP B 32 -2.380 -16.640 -14.005 1.00 1.03 C ATOM 1744 CG ASP B 32 -0.931 -16.956 -14.307 1.00 1.52 C ATOM 1745 OD1 ASP B 32 -0.478 -16.688 -15.439 1.00 1.80 O ATOM 1746 OD2 ASP B 32 -0.237 -17.492 -13.420 1.00 2.04 O ATOM 0 H ASP B 32 -2.026 -14.556 -12.700 1.00 0.95 H new ATOM 0 HA ASP B 32 -2.326 -15.077 -15.481 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -2.541 -16.687 -12.928 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -3.016 -17.402 -14.456 1.00 1.03 H new ATOM 1751 N LYS B 33 -5.012 -14.590 -13.783 1.00 0.98 N ATOM 1752 CA LYS B 33 -6.464 -14.496 -13.852 1.00 1.04 C ATOM 1753 C LYS B 33 -6.926 -13.081 -14.195 1.00 1.03 C ATOM 1754 O LYS B 33 -7.466 -12.838 -15.272 1.00 1.08 O ATOM 1755 CB LYS B 33 -7.078 -14.940 -12.524 1.00 0.98 C ATOM 1756 CG LYS B 33 -6.749 -16.378 -12.164 1.00 1.28 C ATOM 1757 CD LYS B 33 -7.343 -16.770 -10.823 1.00 1.27 C ATOM 1758 CE LYS B 33 -7.085 -18.233 -10.515 1.00 1.92 C ATOM 1759 NZ LYS B 33 -7.717 -19.130 -11.516 1.00 2.27 N ATOM 0 H LYS B 33 -4.596 -14.126 -12.975 1.00 0.98 H new ATOM 0 HA LYS B 33 -6.802 -15.156 -14.651 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -6.724 -14.283 -11.730 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -8.161 -14.823 -12.575 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -7.129 -17.043 -12.939 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -5.667 -16.508 -12.135 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -6.914 -16.149 -10.037 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -8.416 -16.581 -10.828 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -6.011 -18.415 -10.492 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -7.470 -18.468 -9.523 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -7.787 -20.091 -11.126 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -8.669 -18.779 -11.744 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -7.138 -19.148 -12.380 1.00 2.27 H new ATOM 1773 N GLU B 34 -6.694 -12.151 -13.279 1.00 0.99 N ATOM 1774 CA GLU B 34 -7.102 -10.760 -13.460 1.00 0.98 C ATOM 1775 C GLU B 34 -6.227 -10.037 -14.476 1.00 0.99 C ATOM 1776 O GLU B 34 -6.574 -8.953 -14.943 1.00 0.99 O ATOM 1777 CB GLU B 34 -7.054 -10.024 -12.121 1.00 0.91 C ATOM 1778 CG GLU B 34 -7.991 -10.605 -11.077 1.00 0.92 C ATOM 1779 CD GLU B 34 -9.430 -10.633 -11.544 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -9.952 -9.567 -11.935 1.00 1.30 O ATOM 1781 OE2 GLU B 34 -10.044 -11.716 -11.526 1.00 1.20 O ATOM 0 H GLU B 34 -6.221 -12.335 -12.394 1.00 0.99 H new ATOM 0 HA GLU B 34 -8.122 -10.764 -13.844 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -6.034 -10.050 -11.737 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -7.307 -8.976 -12.282 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -7.672 -11.618 -10.830 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -7.920 -10.017 -10.162 1.00 0.92 H new ATOM 1788 N GLY B 35 -5.092 -10.633 -14.808 1.00 1.00 N ATOM 1789 CA GLY B 35 -4.181 -10.030 -15.767 1.00 1.02 C ATOM 1790 C GLY B 35 -3.457 -8.817 -15.215 1.00 0.97 C ATOM 1791 O GLY B 35 -2.752 -8.122 -15.946 1.00 1.00 O ATOM 0 H GLY B 35 -4.782 -11.528 -14.430 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -3.447 -10.773 -16.080 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -4.739 -9.739 -16.657 1.00 1.02 H new ATOM 1795 N ILE B 36 -3.627 -8.562 -13.927 1.00 0.89 N ATOM 1796 CA ILE B 36 -2.988 -7.426 -13.279 1.00 0.84 C ATOM 1797 C ILE B 36 -1.553 -7.767 -12.892 1.00 0.83 C ATOM 1798 O ILE B 36 -1.320 -8.674 -12.092 1.00 0.80 O ATOM 1799 CB ILE B 36 -3.765 -6.982 -12.023 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -5.233 -6.727 -12.375 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -3.134 -5.733 -11.422 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -6.113 -6.458 -11.173 1.00 0.81 C ATOM 0 H ILE B 36 -4.205 -9.129 -13.307 1.00 0.89 H new ATOM 0 HA ILE B 36 -2.986 -6.604 -13.994 1.00 0.84 H new ATOM 0 HB ILE B 36 -3.719 -7.780 -11.281 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -5.291 -5.876 -13.054 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -5.623 -7.591 -12.913 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -3.694 -5.433 -10.536 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -2.102 -5.945 -11.144 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -3.154 -4.926 -12.155 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -7.138 -6.287 -11.503 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -6.086 -7.317 -10.503 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -5.750 -5.576 -10.646 1.00 0.81 H new ATOM 1814 N PRO B 37 -0.577 -7.048 -13.465 1.00 0.87 N ATOM 1815 CA PRO B 37 0.843 -7.271 -13.179 1.00 0.88 C ATOM 1816 C PRO B 37 1.173 -7.063 -11.702 1.00 0.79 C ATOM 1817 O PRO B 37 0.645 -6.151 -11.067 1.00 0.71 O ATOM 1818 CB PRO B 37 1.562 -6.223 -14.033 1.00 0.96 C ATOM 1819 CG PRO B 37 0.574 -5.813 -15.070 1.00 1.01 C ATOM 1820 CD PRO B 37 -0.778 -5.964 -14.441 1.00 0.93 C ATOM 0 HA PRO B 37 1.141 -8.295 -13.404 1.00 0.88 H new ATOM 0 HB2 PRO B 37 1.874 -5.371 -13.429 1.00 0.96 H new ATOM 0 HB3 PRO B 37 2.461 -6.637 -14.489 1.00 0.96 H new ATOM 0 HG2 PRO B 37 0.744 -4.783 -15.385 1.00 1.01 H new ATOM 0 HG3 PRO B 37 0.662 -6.437 -15.960 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -1.102 -5.042 -13.958 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -1.538 -6.222 -15.178 1.00 0.93 H new ATOM 1828 N PRO B 38 2.057 -7.907 -11.140 1.00 0.82 N ATOM 1829 CA PRO B 38 2.462 -7.824 -9.727 1.00 0.76 C ATOM 1830 C PRO B 38 3.056 -6.464 -9.339 1.00 0.72 C ATOM 1831 O PRO B 38 3.113 -6.122 -8.154 1.00 0.67 O ATOM 1832 CB PRO B 38 3.523 -8.922 -9.595 1.00 0.86 C ATOM 1833 CG PRO B 38 3.225 -9.874 -10.697 1.00 0.95 C ATOM 1834 CD PRO B 38 2.713 -9.034 -11.830 1.00 0.93 C ATOM 0 HA PRO B 38 1.604 -7.945 -9.065 1.00 0.76 H new ATOM 0 HB2 PRO B 38 4.529 -8.513 -9.687 1.00 0.86 H new ATOM 0 HB3 PRO B 38 3.466 -9.412 -8.623 1.00 0.86 H new ATOM 0 HG2 PRO B 38 4.118 -10.425 -10.991 1.00 0.95 H new ATOM 0 HG3 PRO B 38 2.483 -10.610 -10.389 1.00 0.95 H new ATOM 0 HD2 PRO B 38 3.521 -8.695 -12.478 1.00 0.93 H new ATOM 0 HD3 PRO B 38 2.013 -9.586 -12.457 1.00 0.93 H new ATOM 1842 N ASP B 39 3.490 -5.692 -10.332 1.00 0.79 N ATOM 1843 CA ASP B 39 4.076 -4.376 -10.077 1.00 0.82 C ATOM 1844 C ASP B 39 2.985 -3.329 -9.867 1.00 0.72 C ATOM 1845 O ASP B 39 3.204 -2.316 -9.202 1.00 0.76 O ATOM 1846 CB ASP B 39 4.999 -3.952 -11.229 1.00 0.97 C ATOM 1847 CG ASP B 39 4.250 -3.332 -12.394 1.00 1.25 C ATOM 1848 OD1 ASP B 39 3.749 -4.088 -13.255 1.00 1.92 O ATOM 1849 OD2 ASP B 39 4.158 -2.086 -12.456 1.00 1.76 O ATOM 0 H ASP B 39 3.448 -5.952 -11.317 1.00 0.79 H new ATOM 0 HA ASP B 39 4.671 -4.448 -9.167 1.00 0.82 H new ATOM 0 HB2 ASP B 39 5.733 -3.238 -10.855 1.00 0.97 H new ATOM 0 HB3 ASP B 39 5.553 -4.822 -11.582 1.00 0.97 H new ATOM 1854 N GLN B 40 1.810 -3.574 -10.432 1.00 0.64 N ATOM 1855 CA GLN B 40 0.694 -2.649 -10.293 1.00 0.59 C ATOM 1856 C GLN B 40 -0.140 -3.009 -9.074 1.00 0.52 C ATOM 1857 O GLN B 40 -1.087 -2.305 -8.718 1.00 0.54 O ATOM 1858 CB GLN B 40 -0.176 -2.666 -11.552 1.00 0.63 C ATOM 1859 CG GLN B 40 0.445 -1.935 -12.732 1.00 0.74 C ATOM 1860 CD GLN B 40 0.837 -0.510 -12.393 1.00 1.26 C ATOM 1861 OE1 GLN B 40 0.019 0.407 -12.474 1.00 1.81 O ATOM 1862 NE2 GLN B 40 2.092 -0.312 -12.023 1.00 1.91 N ATOM 0 H GLN B 40 1.606 -4.403 -10.989 1.00 0.64 H new ATOM 0 HA GLN B 40 1.093 -1.643 -10.161 1.00 0.59 H new ATOM 0 HB2 GLN B 40 -0.368 -3.700 -11.837 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -1.141 -2.214 -11.323 1.00 0.63 H new ATOM 0 HG2 GLN B 40 1.327 -2.480 -13.069 1.00 0.74 H new ATOM 0 HG3 GLN B 40 -0.261 -1.926 -13.562 1.00 0.74 H new ATOM 0 HE21 GLN B 40 2.738 -1.100 -11.969 1.00 1.91 H new ATOM 0 HE22 GLN B 40 2.413 0.628 -11.792 1.00 1.91 H new ATOM 1871 N GLN B 41 0.234 -4.106 -8.433 1.00 0.46 N ATOM 1872 CA GLN B 41 -0.462 -4.584 -7.253 1.00 0.42 C ATOM 1873 C GLN B 41 0.178 -4.031 -5.985 1.00 0.46 C ATOM 1874 O GLN B 41 1.301 -3.526 -6.008 1.00 0.69 O ATOM 1875 CB GLN B 41 -0.436 -6.113 -7.204 1.00 0.45 C ATOM 1876 CG GLN B 41 -1.185 -6.790 -8.342 1.00 0.52 C ATOM 1877 CD GLN B 41 -1.211 -8.298 -8.193 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -1.230 -8.820 -7.081 1.00 0.96 O ATOM 1879 NE2 GLN B 41 -1.203 -9.010 -9.307 1.00 0.74 N ATOM 0 H GLN B 41 1.024 -4.686 -8.716 1.00 0.46 H new ATOM 0 HA GLN B 41 -1.494 -4.238 -7.310 1.00 0.42 H new ATOM 0 HB2 GLN B 41 0.601 -6.447 -7.218 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -0.864 -6.442 -6.257 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -2.207 -6.412 -8.377 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -0.715 -6.528 -9.290 1.00 0.52 H new ATOM 0 HE21 GLN B 41 -1.187 -8.540 -10.212 1.00 0.74 H new ATOM 0 HE22 GLN B 41 -1.213 -10.029 -9.261 1.00 0.74 H new ATOM 1888 N ARG B 42 -0.541 -4.153 -4.881 1.00 0.36 N ATOM 1889 CA ARG B 42 -0.080 -3.698 -3.574 1.00 0.39 C ATOM 1890 C ARG B 42 -0.751 -4.539 -2.502 1.00 0.37 C ATOM 1891 O ARG B 42 -1.858 -4.227 -2.062 1.00 0.43 O ATOM 1892 CB ARG B 42 -0.402 -2.215 -3.345 1.00 0.50 C ATOM 1893 CG ARG B 42 0.563 -1.248 -4.012 1.00 0.95 C ATOM 1894 CD ARG B 42 1.986 -1.418 -3.498 1.00 1.32 C ATOM 1895 NE ARG B 42 2.813 -0.249 -3.797 1.00 1.97 N ATOM 1896 CZ ARG B 42 4.110 -0.300 -4.104 1.00 2.64 C ATOM 1897 NH1 ARG B 42 4.752 -1.462 -4.115 1.00 3.02 N ATOM 1898 NH2 ARG B 42 4.767 0.820 -4.389 1.00 3.22 N ATOM 0 H ARG B 42 -1.470 -4.574 -4.864 1.00 0.36 H new ATOM 0 HA ARG B 42 1.003 -3.811 -3.528 1.00 0.39 H new ATOM 0 HB2 ARG B 42 -1.409 -2.014 -3.712 1.00 0.50 H new ATOM 0 HB3 ARG B 42 -0.409 -2.019 -2.273 1.00 0.50 H new ATOM 0 HG2 ARG B 42 0.546 -1.405 -5.091 1.00 0.95 H new ATOM 0 HG3 ARG B 42 0.233 -0.225 -3.833 1.00 0.95 H new ATOM 0 HD2 ARG B 42 1.966 -1.584 -2.421 1.00 1.32 H new ATOM 0 HD3 ARG B 42 2.432 -2.304 -3.949 1.00 1.32 H new ATOM 0 HE ARG B 42 2.367 0.668 -3.769 1.00 1.97 H new ATOM 0 HH11 ARG B 42 4.253 -2.322 -3.888 1.00 3.02 H new ATOM 0 HH12 ARG B 42 5.744 -1.494 -4.351 1.00 3.02 H new ATOM 0 HH21 ARG B 42 4.279 1.716 -4.373 1.00 3.22 H new ATOM 0 HH22 ARG B 42 5.759 0.784 -4.624 1.00 3.22 H new ATOM 1912 N LEU B 43 -0.100 -5.627 -2.116 1.00 0.38 N ATOM 1913 CA LEU B 43 -0.650 -6.522 -1.105 1.00 0.41 C ATOM 1914 C LEU B 43 -0.360 -6.010 0.302 1.00 0.41 C ATOM 1915 O LEU B 43 0.766 -5.617 0.616 1.00 0.45 O ATOM 1916 CB LEU B 43 -0.096 -7.937 -1.276 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.839 -8.813 -2.290 1.00 0.64 C ATOM 1918 CD1 LEU B 43 -0.235 -10.206 -2.331 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -2.323 -8.888 -1.951 1.00 0.85 C ATOM 0 H LEU B 43 0.807 -5.912 -2.486 1.00 0.38 H new ATOM 0 HA LEU B 43 -1.731 -6.550 -1.241 1.00 0.41 H new ATOM 0 HB2 LEU B 43 0.949 -7.866 -1.578 1.00 0.46 H new ATOM 0 HB3 LEU B 43 -0.114 -8.436 -0.307 1.00 0.46 H new ATOM 0 HG LEU B 43 -0.734 -8.359 -3.276 1.00 0.64 H new ATOM 0 HD11 LEU B 43 -0.774 -10.815 -3.056 1.00 1.33 H new ATOM 0 HD12 LEU B 43 0.814 -10.140 -2.621 1.00 1.33 H new ATOM 0 HD13 LEU B 43 -0.310 -10.664 -1.345 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -2.832 -9.515 -2.683 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -2.448 -9.317 -0.957 1.00 0.85 H new ATOM 0 HD23 LEU B 43 -2.752 -7.886 -1.970 1.00 0.85 H new ATOM 1931 N ILE B 44 -1.387 -6.033 1.141 1.00 0.39 N ATOM 1932 CA ILE B 44 -1.286 -5.559 2.513 1.00 0.43 C ATOM 1933 C ILE B 44 -1.924 -6.554 3.484 1.00 0.45 C ATOM 1934 O ILE B 44 -2.931 -7.192 3.166 1.00 0.47 O ATOM 1935 CB ILE B 44 -1.985 -4.187 2.673 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -1.455 -3.187 1.642 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -1.799 -3.644 4.083 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -2.259 -1.907 1.573 1.00 1.03 C ATOM 0 H ILE B 44 -2.312 -6.381 0.889 1.00 0.39 H new ATOM 0 HA ILE B 44 -0.226 -5.457 2.744 1.00 0.43 H new ATOM 0 HB ILE B 44 -3.052 -4.330 2.500 1.00 0.47 H new ATOM 0 HG12 ILE B 44 -0.420 -2.944 1.882 1.00 0.64 H new ATOM 0 HG13 ILE B 44 -1.452 -3.658 0.659 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -2.299 -2.679 4.170 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -2.229 -4.342 4.801 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -0.736 -3.521 4.288 1.00 0.52 H new ATOM 0 HD11 ILE B 44 -1.827 -1.246 0.822 1.00 1.03 H new ATOM 0 HD12 ILE B 44 -3.289 -2.139 1.303 1.00 1.03 H new ATOM 0 HD13 ILE B 44 -2.241 -1.413 2.545 1.00 1.03 H new ATOM 1950 N PHE B 45 -1.321 -6.684 4.657 1.00 0.48 N ATOM 1951 CA PHE B 45 -1.817 -7.563 5.703 1.00 0.52 C ATOM 1952 C PHE B 45 -1.217 -7.130 7.029 1.00 0.58 C ATOM 1953 O PHE B 45 -0.073 -6.673 7.071 1.00 0.57 O ATOM 1954 CB PHE B 45 -1.476 -9.028 5.422 1.00 0.64 C ATOM 1955 CG PHE B 45 -2.291 -9.997 6.234 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -3.658 -10.111 6.036 1.00 1.19 C ATOM 1957 CD2 PHE B 45 -1.689 -10.795 7.194 1.00 0.92 C ATOM 1958 CE1 PHE B 45 -4.409 -11.001 6.779 1.00 1.31 C ATOM 1959 CE2 PHE B 45 -2.436 -11.688 7.940 1.00 0.99 C ATOM 1960 CZ PHE B 45 -3.798 -11.791 7.731 1.00 0.97 C ATOM 0 H PHE B 45 -0.471 -6.180 4.910 1.00 0.48 H new ATOM 0 HA PHE B 45 -2.904 -7.487 5.737 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -1.631 -9.233 4.363 1.00 0.64 H new ATOM 0 HB3 PHE B 45 -0.418 -9.193 5.627 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -4.142 -9.496 5.292 1.00 1.19 H new ATOM 0 HD2 PHE B 45 -0.625 -10.719 7.361 1.00 0.92 H new ATOM 0 HE1 PHE B 45 -5.474 -11.078 6.615 1.00 1.31 H new ATOM 0 HE2 PHE B 45 -1.955 -12.304 8.685 1.00 0.99 H new ATOM 0 HZ PHE B 45 -4.383 -12.489 8.312 1.00 0.97 H new ATOM 1970 N ALA B 46 -1.990 -7.272 8.104 1.00 0.75 N ATOM 1971 CA ALA B 46 -1.557 -6.876 9.446 1.00 0.94 C ATOM 1972 C ALA B 46 -1.103 -5.414 9.501 1.00 0.87 C ATOM 1973 O ALA B 46 -0.367 -5.016 10.408 1.00 0.92 O ATOM 1974 CB ALA B 46 -0.455 -7.802 9.940 1.00 1.07 C ATOM 0 H ALA B 46 -2.931 -7.663 8.072 1.00 0.75 H new ATOM 0 HA ALA B 46 -2.419 -6.966 10.107 1.00 0.94 H new ATOM 0 HB1 ALA B 46 -0.143 -7.496 10.938 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -0.828 -8.826 9.974 1.00 1.07 H new ATOM 0 HB3 ALA B 46 0.396 -7.749 9.261 1.00 1.07 H new ATOM 1980 N GLY B 47 -1.544 -4.620 8.529 1.00 0.83 N ATOM 1981 CA GLY B 47 -1.181 -3.216 8.489 1.00 0.87 C ATOM 1982 C GLY B 47 0.142 -2.961 7.790 1.00 0.74 C ATOM 1983 O GLY B 47 0.613 -1.823 7.732 1.00 0.85 O ATOM 0 H GLY B 47 -2.148 -4.926 7.766 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -1.967 -2.658 7.980 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -1.126 -2.832 9.508 1.00 0.87 H new ATOM 1987 N LYS B 48 0.742 -4.007 7.247 1.00 0.58 N ATOM 1988 CA LYS B 48 2.022 -3.876 6.565 1.00 0.54 C ATOM 1989 C LYS B 48 1.941 -4.374 5.128 1.00 0.51 C ATOM 1990 O LYS B 48 1.077 -5.183 4.791 1.00 0.55 O ATOM 1991 CB LYS B 48 3.095 -4.673 7.306 1.00 0.56 C ATOM 1992 CG LYS B 48 3.159 -4.394 8.798 1.00 1.38 C ATOM 1993 CD LYS B 48 4.233 -5.232 9.469 1.00 1.44 C ATOM 1994 CE LYS B 48 3.873 -6.707 9.476 1.00 2.31 C ATOM 1995 NZ LYS B 48 2.716 -6.991 10.363 1.00 2.94 N ATOM 0 H LYS B 48 0.366 -4.955 7.264 1.00 0.58 H new ATOM 0 HA LYS B 48 2.282 -2.817 6.554 1.00 0.54 H new ATOM 0 HB2 LYS B 48 2.911 -5.737 7.154 1.00 0.56 H new ATOM 0 HB3 LYS B 48 4.066 -4.451 6.864 1.00 0.56 H new ATOM 0 HG2 LYS B 48 3.363 -3.336 8.964 1.00 1.38 H new ATOM 0 HG3 LYS B 48 2.191 -4.607 9.252 1.00 1.38 H new ATOM 0 HD2 LYS B 48 5.181 -5.091 8.950 1.00 1.44 H new ATOM 0 HD3 LYS B 48 4.376 -4.888 10.493 1.00 1.44 H new ATOM 0 HE2 LYS B 48 3.640 -7.028 8.461 1.00 2.31 H new ATOM 0 HE3 LYS B 48 4.734 -7.289 9.805 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 2.513 -8.011 10.353 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 2.941 -6.692 11.333 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 1.883 -6.469 10.025 1.00 2.94 H new ATOM 2006 N GLN B 49 2.839 -3.880 4.286 1.00 0.54 N ATOM 2007 CA GLN B 49 2.885 -4.298 2.895 1.00 0.54 C ATOM 2008 C GLN B 49 3.627 -5.625 2.802 1.00 0.54 C ATOM 2009 O GLN B 49 4.685 -5.795 3.416 1.00 0.66 O ATOM 2010 CB GLN B 49 3.565 -3.234 2.026 1.00 0.61 C ATOM 2011 CG GLN B 49 3.636 -3.604 0.549 1.00 0.91 C ATOM 2012 CD GLN B 49 4.512 -2.658 -0.252 1.00 1.34 C ATOM 2013 OE1 GLN B 49 4.618 -1.472 0.065 1.00 1.56 O ATOM 2014 NE2 GLN B 49 5.150 -3.171 -1.292 1.00 2.24 N ATOM 0 H GLN B 49 3.544 -3.190 4.544 1.00 0.54 H new ATOM 0 HA GLN B 49 1.868 -4.423 2.523 1.00 0.54 H new ATOM 0 HB2 GLN B 49 3.025 -2.293 2.130 1.00 0.61 H new ATOM 0 HB3 GLN B 49 4.575 -3.065 2.398 1.00 0.61 H new ATOM 0 HG2 GLN B 49 4.021 -4.619 0.451 1.00 0.91 H new ATOM 0 HG3 GLN B 49 2.630 -3.603 0.130 1.00 0.91 H new ATOM 0 HE21 GLN B 49 5.037 -4.158 -1.523 1.00 2.24 H new ATOM 0 HE22 GLN B 49 5.754 -2.579 -1.862 1.00 2.24 H new ATOM 2023 N LEU B 50 3.078 -6.548 2.033 1.00 0.60 N ATOM 2024 CA LEU B 50 3.662 -7.873 1.885 1.00 0.66 C ATOM 2025 C LEU B 50 4.842 -7.860 0.919 1.00 0.68 C ATOM 2026 O LEU B 50 4.684 -7.574 -0.269 1.00 0.66 O ATOM 2027 CB LEU B 50 2.596 -8.860 1.409 1.00 0.70 C ATOM 2028 CG LEU B 50 1.297 -8.863 2.218 1.00 1.06 C ATOM 2029 CD1 LEU B 50 0.386 -9.989 1.759 1.00 1.76 C ATOM 2030 CD2 LEU B 50 1.597 -8.999 3.700 1.00 1.23 C ATOM 0 H LEU B 50 2.222 -6.405 1.497 1.00 0.60 H new ATOM 0 HA LEU B 50 4.037 -8.189 2.859 1.00 0.66 H new ATOM 0 HB2 LEU B 50 2.356 -8.637 0.369 1.00 0.70 H new ATOM 0 HB3 LEU B 50 3.019 -9.864 1.430 1.00 0.70 H new ATOM 0 HG LEU B 50 0.786 -7.915 2.052 1.00 1.06 H new ATOM 0 HD11 LEU B 50 -0.533 -9.976 2.345 1.00 1.76 H new ATOM 0 HD12 LEU B 50 0.145 -9.855 0.704 1.00 1.76 H new ATOM 0 HD13 LEU B 50 0.891 -10.945 1.898 1.00 1.76 H new ATOM 0 HD21 LEU B 50 0.663 -8.999 4.262 1.00 1.23 H new ATOM 0 HD22 LEU B 50 2.129 -9.933 3.879 1.00 1.23 H new ATOM 0 HD23 LEU B 50 2.215 -8.162 4.024 1.00 1.23 H new ATOM 2042 N GLU B 51 6.028 -8.151 1.447 1.00 0.75 N ATOM 2043 CA GLU B 51 7.245 -8.187 0.649 1.00 0.83 C ATOM 2044 C GLU B 51 7.232 -9.368 -0.312 1.00 0.76 C ATOM 2045 O GLU B 51 6.861 -10.480 0.061 1.00 0.70 O ATOM 2046 CB GLU B 51 8.467 -8.280 1.560 1.00 1.00 C ATOM 2047 CG GLU B 51 9.728 -7.681 0.962 1.00 1.33 C ATOM 2048 CD GLU B 51 10.795 -7.425 2.003 1.00 1.68 C ATOM 2049 OE1 GLU B 51 10.638 -6.468 2.794 1.00 2.14 O ATOM 2050 OE2 GLU B 51 11.789 -8.177 2.036 1.00 2.36 O ATOM 0 H GLU B 51 6.170 -8.367 2.434 1.00 0.75 H new ATOM 0 HA GLU B 51 7.295 -7.267 0.067 1.00 0.83 H new ATOM 0 HB2 GLU B 51 8.247 -7.774 2.500 1.00 1.00 H new ATOM 0 HB3 GLU B 51 8.652 -9.328 1.798 1.00 1.00 H new ATOM 0 HG2 GLU B 51 10.121 -8.355 0.201 1.00 1.33 H new ATOM 0 HG3 GLU B 51 9.480 -6.745 0.462 1.00 1.33 H new ATOM 2057 N ASP B 52 7.670 -9.119 -1.535 1.00 0.84 N ATOM 2058 CA ASP B 52 7.711 -10.137 -2.585 1.00 0.88 C ATOM 2059 C ASP B 52 8.567 -11.337 -2.188 1.00 0.92 C ATOM 2060 O ASP B 52 8.243 -12.480 -2.520 1.00 1.42 O ATOM 2061 CB ASP B 52 8.270 -9.532 -3.869 1.00 1.02 C ATOM 2062 CG ASP B 52 7.221 -8.822 -4.695 1.00 1.11 C ATOM 2063 OD1 ASP B 52 6.838 -7.687 -4.344 1.00 1.32 O ATOM 2064 OD2 ASP B 52 6.789 -9.385 -5.718 1.00 1.52 O ATOM 0 H ASP B 52 8.009 -8.205 -1.834 1.00 0.84 H new ATOM 0 HA ASP B 52 6.690 -10.485 -2.740 1.00 0.88 H new ATOM 0 HB2 ASP B 52 9.063 -8.828 -3.617 1.00 1.02 H new ATOM 0 HB3 ASP B 52 8.723 -10.322 -4.469 1.00 1.02 H new ATOM 2069 N GLY B 53 9.658 -11.071 -1.480 1.00 0.79 N ATOM 2070 CA GLY B 53 10.555 -12.135 -1.066 1.00 0.88 C ATOM 2071 C GLY B 53 10.121 -12.824 0.215 1.00 0.84 C ATOM 2072 O GLY B 53 10.790 -13.747 0.684 1.00 0.93 O ATOM 0 H GLY B 53 9.939 -10.136 -1.184 1.00 0.79 H new ATOM 0 HA2 GLY B 53 10.622 -12.875 -1.863 1.00 0.88 H new ATOM 0 HA3 GLY B 53 11.555 -11.724 -0.928 1.00 0.88 H new ATOM 2076 N ARG B 54 9.004 -12.388 0.781 1.00 0.76 N ATOM 2077 CA ARG B 54 8.499 -12.978 2.012 1.00 0.79 C ATOM 2078 C ARG B 54 7.455 -14.046 1.712 1.00 0.72 C ATOM 2079 O ARG B 54 6.955 -14.149 0.588 1.00 0.69 O ATOM 2080 CB ARG B 54 7.906 -11.900 2.921 1.00 0.83 C ATOM 2081 CG ARG B 54 8.951 -11.097 3.676 1.00 1.00 C ATOM 2082 CD ARG B 54 9.675 -11.952 4.702 1.00 1.22 C ATOM 2083 NE ARG B 54 11.099 -12.086 4.393 1.00 2.01 N ATOM 2084 CZ ARG B 54 11.782 -13.228 4.462 1.00 2.69 C ATOM 2085 NH1 ARG B 54 11.173 -14.366 4.783 1.00 2.90 N ATOM 2086 NH2 ARG B 54 13.080 -13.236 4.193 1.00 3.65 N ATOM 0 H ARG B 54 8.432 -11.630 0.408 1.00 0.76 H new ATOM 0 HA ARG B 54 9.335 -13.449 2.529 1.00 0.79 H new ATOM 0 HB2 ARG B 54 7.303 -11.220 2.319 1.00 0.83 H new ATOM 0 HB3 ARG B 54 7.234 -12.371 3.638 1.00 0.83 H new ATOM 0 HG2 ARG B 54 9.672 -10.683 2.971 1.00 1.00 H new ATOM 0 HG3 ARG B 54 8.473 -10.254 4.175 1.00 1.00 H new ATOM 0 HD2 ARG B 54 9.558 -11.509 5.691 1.00 1.22 H new ATOM 0 HD3 ARG B 54 9.217 -12.940 4.739 1.00 1.22 H new ATOM 0 HE ARG B 54 11.603 -11.248 4.105 1.00 2.01 H new ATOM 0 HH11 ARG B 54 10.172 -14.371 4.980 1.00 2.90 H new ATOM 0 HH12 ARG B 54 11.707 -15.234 4.833 1.00 2.90 H new ATOM 0 HH21 ARG B 54 13.553 -12.370 3.934 1.00 3.65 H new ATOM 0 HH22 ARG B 54 13.606 -14.108 4.245 1.00 3.65 H new ATOM 2100 N THR B 55 7.130 -14.838 2.720 1.00 0.72 N ATOM 2101 CA THR B 55 6.154 -15.902 2.574 1.00 0.68 C ATOM 2102 C THR B 55 4.909 -15.607 3.400 1.00 0.66 C ATOM 2103 O THR B 55 4.927 -14.737 4.271 1.00 0.69 O ATOM 2104 CB THR B 55 6.740 -17.260 3.008 1.00 0.75 C ATOM 2105 OG1 THR B 55 7.341 -17.149 4.305 1.00 0.90 O ATOM 2106 CG2 THR B 55 7.774 -17.750 2.006 1.00 0.76 C ATOM 0 H THR B 55 7.532 -14.762 3.654 1.00 0.72 H new ATOM 0 HA THR B 55 5.886 -15.954 1.519 1.00 0.68 H new ATOM 0 HB THR B 55 5.924 -17.982 3.049 1.00 0.75 H new ATOM 0 HG1 THR B 55 8.029 -16.452 4.288 1.00 0.90 H new ATOM 0 HG21 THR B 55 8.173 -18.710 2.335 1.00 0.76 H new ATOM 0 HG22 THR B 55 7.306 -17.867 1.028 1.00 0.76 H new ATOM 0 HG23 THR B 55 8.585 -17.025 1.936 1.00 0.76 H new ATOM 2114 N LEU B 56 3.828 -16.325 3.114 1.00 0.63 N ATOM 2115 CA LEU B 56 2.574 -16.152 3.840 1.00 0.63 C ATOM 2116 C LEU B 56 2.759 -16.368 5.345 1.00 0.70 C ATOM 2117 O LEU B 56 2.185 -15.647 6.162 1.00 0.71 O ATOM 2118 CB LEU B 56 1.515 -17.119 3.300 1.00 0.62 C ATOM 2119 CG LEU B 56 1.118 -16.905 1.836 1.00 0.58 C ATOM 2120 CD1 LEU B 56 -0.030 -17.826 1.457 1.00 1.15 C ATOM 2121 CD2 LEU B 56 0.731 -15.456 1.588 1.00 1.26 C ATOM 0 H LEU B 56 3.795 -17.035 2.382 1.00 0.63 H new ATOM 0 HA LEU B 56 2.241 -15.125 3.687 1.00 0.63 H new ATOM 0 HB2 LEU B 56 1.886 -18.138 3.413 1.00 0.62 H new ATOM 0 HB3 LEU B 56 0.621 -17.034 3.918 1.00 0.62 H new ATOM 0 HG LEU B 56 1.980 -17.143 1.213 1.00 0.58 H new ATOM 0 HD11 LEU B 56 -0.300 -17.661 0.414 1.00 1.15 H new ATOM 0 HD12 LEU B 56 0.276 -18.863 1.593 1.00 1.15 H new ATOM 0 HD13 LEU B 56 -0.891 -17.615 2.092 1.00 1.15 H new ATOM 0 HD21 LEU B 56 0.453 -15.328 0.542 1.00 1.26 H new ATOM 0 HD22 LEU B 56 -0.114 -15.191 2.223 1.00 1.26 H new ATOM 0 HD23 LEU B 56 1.577 -14.809 1.821 1.00 1.26 H new ATOM 2133 N SER B 57 3.582 -17.345 5.704 1.00 0.76 N ATOM 2134 CA SER B 57 3.836 -17.659 7.108 1.00 0.85 C ATOM 2135 C SER B 57 4.612 -16.543 7.814 1.00 0.90 C ATOM 2136 O SER B 57 4.591 -16.448 9.040 1.00 0.98 O ATOM 2137 CB SER B 57 4.594 -18.982 7.216 1.00 0.95 C ATOM 2138 OG SER B 57 3.841 -20.044 6.654 1.00 0.98 O ATOM 0 H SER B 57 4.087 -17.935 5.043 1.00 0.76 H new ATOM 0 HA SER B 57 2.872 -17.750 7.608 1.00 0.85 H new ATOM 0 HB2 SER B 57 5.552 -18.899 6.703 1.00 0.95 H new ATOM 0 HB3 SER B 57 4.810 -19.198 8.262 1.00 0.95 H new ATOM 0 HG SER B 57 3.816 -19.947 5.679 1.00 0.98 H new ATOM 2144 N ASP B 58 5.267 -15.678 7.044 1.00 0.87 N ATOM 2145 CA ASP B 58 6.047 -14.583 7.622 1.00 0.93 C ATOM 2146 C ASP B 58 5.129 -13.519 8.210 1.00 0.91 C ATOM 2147 O ASP B 58 5.501 -12.807 9.145 1.00 0.95 O ATOM 2148 CB ASP B 58 6.956 -13.934 6.573 1.00 0.97 C ATOM 2149 CG ASP B 58 8.175 -14.770 6.246 1.00 1.14 C ATOM 2150 OD1 ASP B 58 8.815 -15.298 7.178 1.00 1.16 O ATOM 2151 OD2 ASP B 58 8.508 -14.892 5.049 1.00 1.61 O ATOM 0 H ASP B 58 5.275 -15.712 6.025 1.00 0.87 H new ATOM 0 HA ASP B 58 6.665 -15.009 8.412 1.00 0.93 H new ATOM 0 HB2 ASP B 58 6.384 -13.763 5.661 1.00 0.97 H new ATOM 0 HB3 ASP B 58 7.279 -12.958 6.934 1.00 0.97 H new ATOM 2156 N TYR B 59 3.930 -13.413 7.651 1.00 0.86 N ATOM 2157 CA TYR B 59 2.958 -12.433 8.113 1.00 0.87 C ATOM 2158 C TYR B 59 1.830 -13.111 8.879 1.00 0.88 C ATOM 2159 O TYR B 59 0.862 -12.461 9.279 1.00 0.91 O ATOM 2160 CB TYR B 59 2.388 -11.649 6.930 1.00 0.81 C ATOM 2161 CG TYR B 59 3.425 -10.837 6.194 1.00 0.78 C ATOM 2162 CD1 TYR B 59 3.780 -9.568 6.636 1.00 0.84 C ATOM 2163 CD2 TYR B 59 4.050 -11.337 5.059 1.00 0.78 C ATOM 2164 CE1 TYR B 59 4.732 -8.823 5.969 1.00 0.87 C ATOM 2165 CE2 TYR B 59 5.002 -10.597 4.387 1.00 0.80 C ATOM 2166 CZ TYR B 59 5.338 -9.342 4.844 1.00 0.83 C ATOM 2167 OH TYR B 59 6.294 -8.605 4.182 1.00 0.90 O ATOM 0 H TYR B 59 3.608 -13.994 6.877 1.00 0.86 H new ATOM 0 HA TYR B 59 3.467 -11.741 8.784 1.00 0.87 H new ATOM 0 HB2 TYR B 59 1.921 -12.345 6.233 1.00 0.81 H new ATOM 0 HB3 TYR B 59 1.603 -10.983 7.289 1.00 0.81 H new ATOM 0 HD1 TYR B 59 3.304 -9.158 7.515 1.00 0.84 H new ATOM 0 HD2 TYR B 59 3.787 -12.320 4.697 1.00 0.78 H new ATOM 0 HE1 TYR B 59 5.001 -7.840 6.326 1.00 0.87 H new ATOM 0 HE2 TYR B 59 5.481 -11.000 3.507 1.00 0.80 H new ATOM 0 HH TYR B 59 7.104 -8.551 4.731 1.00 0.90 H new ATOM 2177 N ASN B 60 1.959 -14.430 9.054 1.00 0.89 N ATOM 2178 CA ASN B 60 0.970 -15.237 9.778 1.00 0.92 C ATOM 2179 C ASN B 60 -0.331 -15.328 8.986 1.00 0.86 C ATOM 2180 O ASN B 60 -1.426 -15.258 9.544 1.00 0.89 O ATOM 2181 CB ASN B 60 0.709 -14.671 11.184 1.00 1.00 C ATOM 2182 CG ASN B 60 0.026 -15.667 12.107 1.00 1.48 C ATOM 2183 OD1 ASN B 60 0.489 -16.907 12.098 1.00 2.05 O flip ATOM 2184 ND2 ASN B 60 -0.901 -15.317 12.842 1.00 1.91 N flip ATOM 0 H ASN B 60 2.750 -14.968 8.699 1.00 0.89 H new ATOM 0 HA ASN B 60 1.378 -16.241 9.893 1.00 0.92 H new ATOM 0 HB2 ASN B 60 1.656 -14.363 11.627 1.00 1.00 H new ATOM 0 HB3 ASN B 60 0.090 -13.777 11.101 1.00 1.00 H new ATOM 0 HD21 ASN B 60 -1.232 -14.352 12.822 1.00 1.91 H new ATOM 0 HD22 ASN B 60 -1.337 -15.992 13.470 1.00 1.91 H new ATOM 2191 N ILE B 61 -0.200 -15.489 7.677 1.00 0.80 N ATOM 2192 CA ILE B 61 -1.355 -15.600 6.801 1.00 0.74 C ATOM 2193 C ILE B 61 -1.792 -17.056 6.695 1.00 0.74 C ATOM 2194 O ILE B 61 -1.111 -17.879 6.086 1.00 0.73 O ATOM 2195 CB ILE B 61 -1.052 -15.042 5.393 1.00 0.68 C ATOM 2196 CG1 ILE B 61 -0.540 -13.603 5.499 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -2.293 -15.105 4.512 1.00 0.66 C ATOM 2198 CD1 ILE B 61 0.039 -13.061 4.209 1.00 0.65 C ATOM 0 H ILE B 61 0.699 -15.546 7.198 1.00 0.80 H new ATOM 0 HA ILE B 61 -2.161 -15.007 7.234 1.00 0.74 H new ATOM 0 HB ILE B 61 -0.278 -15.656 4.933 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -1.360 -12.959 5.817 1.00 0.70 H new ATOM 0 HG13 ILE B 61 0.223 -13.555 6.276 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -2.059 -14.707 3.525 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -2.620 -16.140 4.418 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -3.089 -14.512 4.962 1.00 0.66 H new ATOM 0 HD11 ILE B 61 0.380 -12.037 4.365 1.00 0.65 H new ATOM 0 HD12 ILE B 61 0.881 -13.681 3.899 1.00 0.65 H new ATOM 0 HD13 ILE B 61 -0.726 -13.074 3.433 1.00 0.65 H new ATOM 2210 N GLN B 62 -2.918 -17.362 7.317 1.00 0.80 N ATOM 2211 CA GLN B 62 -3.458 -18.713 7.310 1.00 0.81 C ATOM 2212 C GLN B 62 -4.631 -18.824 6.340 1.00 0.75 C ATOM 2213 O GLN B 62 -4.835 -17.951 5.494 1.00 0.70 O ATOM 2214 CB GLN B 62 -3.906 -19.098 8.722 1.00 0.91 C ATOM 2215 CG GLN B 62 -2.767 -19.158 9.725 1.00 1.02 C ATOM 2216 CD GLN B 62 -3.258 -19.274 11.153 1.00 1.22 C ATOM 2217 OE1 GLN B 62 -4.311 -18.740 11.508 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -2.506 -19.979 11.983 1.00 1.51 N ATOM 0 H GLN B 62 -3.480 -16.688 7.837 1.00 0.80 H new ATOM 0 HA GLN B 62 -2.677 -19.397 6.980 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -4.647 -18.377 9.068 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -4.399 -20.069 8.686 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -2.128 -20.010 9.494 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -2.153 -18.263 9.627 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -1.641 -20.405 11.650 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -2.791 -20.096 12.955 1.00 1.51 H new ATOM 2227 N LYS B 63 -5.387 -19.903 6.458 1.00 0.78 N ATOM 2228 CA LYS B 63 -6.549 -20.125 5.612 1.00 0.77 C ATOM 2229 C LYS B 63 -7.682 -19.184 6.004 1.00 0.77 C ATOM 2230 O LYS B 63 -7.798 -18.797 7.173 1.00 0.82 O ATOM 2231 CB LYS B 63 -7.022 -21.575 5.746 1.00 0.81 C ATOM 2232 CG LYS B 63 -7.416 -21.945 7.168 1.00 0.91 C ATOM 2233 CD LYS B 63 -7.981 -23.348 7.257 1.00 1.12 C ATOM 2234 CE LYS B 63 -8.222 -23.747 8.702 1.00 1.66 C ATOM 2235 NZ LYS B 63 -9.020 -24.994 8.808 1.00 2.28 N ATOM 0 H LYS B 63 -5.215 -20.645 7.137 1.00 0.78 H new ATOM 0 HA LYS B 63 -6.266 -19.927 4.578 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -7.874 -21.735 5.086 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -6.228 -22.242 5.410 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -6.545 -21.864 7.818 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -8.155 -21.233 7.536 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -8.916 -23.403 6.700 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -7.291 -24.052 6.792 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -7.265 -23.885 9.205 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -8.740 -22.940 9.220 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -9.162 -25.231 9.811 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -9.944 -24.855 8.351 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -8.514 -25.771 8.337 1.00 2.28 H new ATOM 2249 N GLU B 64 -8.492 -18.796 5.018 1.00 0.75 N ATOM 2250 CA GLU B 64 -9.646 -17.922 5.240 1.00 0.79 C ATOM 2251 C GLU B 64 -9.230 -16.535 5.734 1.00 0.78 C ATOM 2252 O GLU B 64 -9.999 -15.857 6.415 1.00 0.90 O ATOM 2253 CB GLU B 64 -10.620 -18.553 6.246 1.00 0.88 C ATOM 2254 CG GLU B 64 -11.063 -19.961 5.882 1.00 1.05 C ATOM 2255 CD GLU B 64 -11.868 -20.007 4.603 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -13.005 -19.490 4.593 1.00 2.17 O ATOM 2257 OE2 GLU B 64 -11.373 -20.575 3.606 1.00 1.43 O ATOM 0 H GLU B 64 -8.368 -19.077 4.046 1.00 0.75 H new ATOM 0 HA GLU B 64 -10.142 -17.804 4.277 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -10.148 -18.575 7.228 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -11.501 -17.917 6.330 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -10.185 -20.598 5.777 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -11.659 -20.372 6.697 1.00 1.05 H new ATOM 2264 N SER B 65 -8.025 -16.105 5.392 1.00 0.69 N ATOM 2265 CA SER B 65 -7.549 -14.794 5.816 1.00 0.70 C ATOM 2266 C SER B 65 -7.942 -13.727 4.806 1.00 0.66 C ATOM 2267 O SER B 65 -7.955 -13.980 3.600 1.00 0.63 O ATOM 2268 CB SER B 65 -6.031 -14.801 5.984 1.00 0.68 C ATOM 2269 OG SER B 65 -5.616 -15.868 6.813 1.00 0.74 O ATOM 0 H SER B 65 -7.363 -16.638 4.827 1.00 0.69 H new ATOM 0 HA SER B 65 -8.013 -14.564 6.775 1.00 0.70 H new ATOM 0 HB2 SER B 65 -5.554 -14.888 5.008 1.00 0.68 H new ATOM 0 HB3 SER B 65 -5.705 -13.854 6.414 1.00 0.68 H new ATOM 0 HG SER B 65 -4.988 -16.438 6.323 1.00 0.74 H new ATOM 2275 N THR B 66 -8.274 -12.545 5.305 1.00 0.70 N ATOM 2276 CA THR B 66 -8.645 -11.436 4.447 1.00 0.69 C ATOM 2277 C THR B 66 -7.419 -10.598 4.102 1.00 0.65 C ATOM 2278 O THR B 66 -6.918 -9.834 4.928 1.00 0.68 O ATOM 2279 CB THR B 66 -9.713 -10.539 5.103 1.00 0.79 C ATOM 2280 OG1 THR B 66 -10.851 -11.329 5.469 1.00 0.98 O ATOM 2281 CG2 THR B 66 -10.150 -9.425 4.159 1.00 0.88 C ATOM 0 H THR B 66 -8.293 -12.332 6.302 1.00 0.70 H new ATOM 0 HA THR B 66 -9.068 -11.859 3.536 1.00 0.69 H new ATOM 0 HB THR B 66 -9.276 -10.086 5.993 1.00 0.79 H new ATOM 0 HG1 THR B 66 -11.527 -10.755 5.887 1.00 0.98 H new ATOM 0 HG21 THR B 66 -10.904 -8.808 4.648 1.00 0.88 H new ATOM 0 HG22 THR B 66 -9.289 -8.809 3.900 1.00 0.88 H new ATOM 0 HG23 THR B 66 -10.570 -9.860 3.252 1.00 0.88 H new ATOM 2289 N LEU B 67 -6.938 -10.763 2.885 1.00 0.61 N ATOM 2290 CA LEU B 67 -5.783 -10.030 2.408 1.00 0.59 C ATOM 2291 C LEU B 67 -6.253 -8.737 1.762 1.00 0.58 C ATOM 2292 O LEU B 67 -7.357 -8.679 1.228 1.00 0.61 O ATOM 2293 CB LEU B 67 -5.010 -10.876 1.396 1.00 0.59 C ATOM 2294 CG LEU B 67 -3.491 -10.887 1.569 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -3.104 -11.545 2.884 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -2.832 -11.606 0.401 1.00 1.31 C ATOM 0 H LEU B 67 -7.336 -11.407 2.201 1.00 0.61 H new ATOM 0 HA LEU B 67 -5.121 -9.800 3.243 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -5.372 -11.902 1.455 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -5.241 -10.514 0.394 1.00 0.59 H new ATOM 0 HG LEU B 67 -3.140 -9.855 1.587 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -2.019 -11.542 2.987 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -3.548 -10.993 3.712 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -3.467 -12.573 2.897 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -1.751 -11.606 0.537 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -3.192 -12.634 0.356 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -3.080 -11.094 -0.529 1.00 1.31 H new ATOM 2308 N HIS B 68 -5.440 -7.701 1.825 1.00 0.59 N ATOM 2309 CA HIS B 68 -5.803 -6.427 1.228 1.00 0.60 C ATOM 2310 C HIS B 68 -4.997 -6.201 -0.037 1.00 0.56 C ATOM 2311 O HIS B 68 -3.782 -6.382 -0.045 1.00 0.65 O ATOM 2312 CB HIS B 68 -5.574 -5.280 2.214 1.00 0.70 C ATOM 2313 CG HIS B 68 -6.711 -5.068 3.169 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -6.535 -4.643 4.470 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -8.047 -5.217 3.002 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -7.713 -4.537 5.058 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -8.646 -4.878 4.190 1.00 2.10 N ATOM 0 H HIS B 68 -4.528 -7.714 2.281 1.00 0.59 H new ATOM 0 HA HIS B 68 -6.863 -6.452 0.976 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -4.666 -5.478 2.783 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -5.405 -4.360 1.654 1.00 0.70 H new ATOM 0 HD2 HIS B 68 -8.548 -5.542 2.102 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -7.884 -4.224 6.077 1.00 2.20 H new ATOM 0 HE2 HIS B 68 -9.650 -4.888 4.372 1.00 2.10 H new ATOM 2326 N LEU B 69 -5.674 -5.828 -1.108 1.00 0.55 N ATOM 2327 CA LEU B 69 -5.004 -5.588 -2.373 1.00 0.51 C ATOM 2328 C LEU B 69 -5.381 -4.230 -2.940 1.00 0.52 C ATOM 2329 O LEU B 69 -6.542 -3.965 -3.248 1.00 0.70 O ATOM 2330 CB LEU B 69 -5.342 -6.693 -3.378 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.713 -6.531 -4.767 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -3.196 -6.513 -4.674 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -5.171 -7.648 -5.693 1.00 0.71 C ATOM 0 H LEU B 69 -6.684 -5.685 -1.127 1.00 0.55 H new ATOM 0 HA LEU B 69 -3.929 -5.596 -2.191 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -5.024 -7.649 -2.962 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.425 -6.740 -3.491 1.00 0.58 H new ATOM 0 HG LEU B 69 -5.043 -5.578 -5.180 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -2.772 -6.397 -5.671 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.880 -5.680 -4.046 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -2.847 -7.449 -4.238 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -4.715 -7.517 -6.674 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -4.871 -8.610 -5.279 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -6.256 -7.618 -5.790 1.00 0.71 H new ATOM 2345 N VAL B 70 -4.395 -3.366 -3.056 1.00 0.40 N ATOM 2346 CA VAL B 70 -4.607 -2.041 -3.603 1.00 0.44 C ATOM 2347 C VAL B 70 -3.905 -1.942 -4.949 1.00 0.43 C ATOM 2348 O VAL B 70 -2.964 -2.688 -5.212 1.00 0.49 O ATOM 2349 CB VAL B 70 -4.077 -0.939 -2.659 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -4.717 0.401 -2.979 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -4.319 -1.312 -1.206 1.00 0.77 C ATOM 0 H VAL B 70 -3.433 -3.558 -2.777 1.00 0.40 H new ATOM 0 HA VAL B 70 -5.680 -1.888 -3.720 1.00 0.44 H new ATOM 0 HB VAL B 70 -3.002 -0.850 -2.816 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -4.328 1.161 -2.301 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -4.485 0.679 -4.007 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -5.798 0.326 -2.858 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -3.938 -0.522 -0.559 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -5.388 -1.436 -1.036 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -3.805 -2.246 -0.980 1.00 0.77 H new ATOM 2361 N LEU B 71 -4.369 -1.053 -5.805 1.00 0.44 N ATOM 2362 CA LEU B 71 -3.762 -0.880 -7.111 1.00 0.45 C ATOM 2363 C LEU B 71 -2.918 0.380 -7.126 1.00 0.52 C ATOM 2364 O LEU B 71 -3.285 1.390 -6.525 1.00 0.65 O ATOM 2365 CB LEU B 71 -4.835 -0.817 -8.201 1.00 0.52 C ATOM 2366 CG LEU B 71 -5.604 -2.121 -8.428 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -6.753 -1.900 -9.394 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -4.676 -3.209 -8.949 1.00 1.04 C ATOM 0 H LEU B 71 -5.163 -0.440 -5.621 1.00 0.44 H new ATOM 0 HA LEU B 71 -3.121 -1.738 -7.314 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -5.547 -0.033 -7.944 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -4.362 -0.524 -9.138 1.00 0.52 H new ATOM 0 HG LEU B 71 -6.013 -2.446 -7.471 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -7.288 -2.838 -9.543 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -7.434 -1.154 -8.984 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -6.363 -1.549 -10.349 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -5.243 -4.127 -9.104 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -4.236 -2.890 -9.894 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -3.883 -3.390 -8.223 1.00 1.04 H new ATOM 2380 N ARG B 72 -1.780 0.312 -7.795 1.00 0.70 N ATOM 2381 CA ARG B 72 -0.882 1.451 -7.884 1.00 0.85 C ATOM 2382 C ARG B 72 -1.412 2.468 -8.885 1.00 1.12 C ATOM 2383 O ARG B 72 -0.941 2.556 -10.018 1.00 1.44 O ATOM 2384 CB ARG B 72 0.526 1.001 -8.271 1.00 1.05 C ATOM 2385 CG ARG B 72 1.571 2.093 -8.115 1.00 1.32 C ATOM 2386 CD ARG B 72 2.973 1.550 -8.314 1.00 1.27 C ATOM 2387 NE ARG B 72 3.988 2.591 -8.164 1.00 1.61 N ATOM 2388 CZ ARG B 72 5.237 2.483 -8.605 1.00 2.00 C ATOM 2389 NH1 ARG B 72 5.622 1.392 -9.255 1.00 2.37 N ATOM 2390 NH2 ARG B 72 6.099 3.470 -8.406 1.00 2.67 N ATOM 0 H ARG B 72 -1.455 -0.521 -8.285 1.00 0.70 H new ATOM 0 HA ARG B 72 -0.830 1.924 -6.904 1.00 0.85 H new ATOM 0 HB2 ARG B 72 0.809 0.147 -7.656 1.00 1.05 H new ATOM 0 HB3 ARG B 72 0.519 0.660 -9.306 1.00 1.05 H new ATOM 0 HG2 ARG B 72 1.381 2.887 -8.837 1.00 1.32 H new ATOM 0 HG3 ARG B 72 1.489 2.538 -7.123 1.00 1.32 H new ATOM 0 HD2 ARG B 72 3.160 0.754 -7.593 1.00 1.27 H new ATOM 0 HD3 ARG B 72 3.053 1.106 -9.306 1.00 1.27 H new ATOM 0 HE ARG B 72 3.721 3.454 -7.691 1.00 1.61 H new ATOM 0 HH11 ARG B 72 4.959 0.634 -9.417 1.00 2.37 H new ATOM 0 HH12 ARG B 72 6.581 1.311 -9.593 1.00 2.37 H new ATOM 0 HH21 ARG B 72 5.804 4.313 -7.914 1.00 2.67 H new ATOM 0 HH22 ARG B 72 7.057 3.386 -8.745 1.00 2.67 H new