USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1214 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 1 MET CE :methyl -168:sc= -0.378 (180deg=-0.551) USER MOD Set 1.2: B 62 THR OG1 : rot 39:sc= 0.284! USER MOD Set 2.1: B 31 GLN : amide:sc= -9! C(o=-13!,f=-21!) USER MOD Set 2.2: B 33 CYS SG : rot -31:sc= -4.3! USER MOD Set 3.1: A 31 GLN : amide:sc= -9.53! C(o=-14!,f=-21!) USER MOD Set 3.2: A 33 CYS SG : rot -35:sc= -3.97! USER MOD Set 4.1: A 1 MET CE :methyl -170:sc= -0.354 (180deg=-0.604) USER MOD Set 4.2: A 62 THR OG1 : rot 44:sc= 0.35! USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0358) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= -2.28! (180deg=-5.12!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.87! C(o=-2.9!,f=-10!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -21:sc= 0.536 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 29 ASN : amide:sc= -4.11! C(o=-4.1!,f=-3.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -7.25! C(o=-7.2!,f=-4.9!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=-0.035) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -38:sc= 1.02 USER MOD Single : A 53 GLN : amide:sc= -0.216 K(o=-0.22,f=-3.2!) USER MOD Single : A 56 TYR OH : rot 30:sc= -0.576 USER MOD Single : A 61 TYR OH : rot 22:sc= 0.695 USER MOD Single : A 64 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-3.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -134:sc= -1.17 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.755 K(o=-0.76,f=-0.24) USER MOD Single : A 75 SER OG : rot -70:sc= -0.13! USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0475) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 136:sc= -2.31! (180deg=-5.02!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -2.95! C(o=-3!,f=-10!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot -20:sc= 0.592 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0539 USER MOD Single : B 29 ASN : amide:sc= -4.04! C(o=-4!,f=-3.4!) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -7.29! C(o=-7.3!,f=-4.9!) USER MOD Single : B 41 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=-0.08) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot -38:sc= 1.02 USER MOD Single : B 53 GLN : amide:sc= -0.257 K(o=-0.26,f=-3!) USER MOD Single : B 56 TYR OH : rot 30:sc= -0.694 USER MOD Single : B 61 TYR OH : rot 22:sc= 0.593 USER MOD Single : B 64 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-4.2!) USER MOD Single : B 66 SER OG : rot -41:sc= 0.0047 USER MOD Single : B 67 SER OG : rot -137:sc= -1.04 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -0.788 K(o=-0.79,f=-0.24) USER MOD Single : B 75 SER OG : rot -68:sc= -0.0757! USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.821 16.686 2.570 1.00 42.32 N ATOM 2 CA MET A 1 -0.523 16.962 3.248 1.00 40.89 C ATOM 3 C MET A 1 -0.169 15.791 4.166 1.00 34.75 C ATOM 4 O MET A 1 0.966 15.362 4.233 1.00 33.97 O ATOM 5 CB MET A 1 -0.645 18.247 4.082 1.00 48.45 C ATOM 6 CG MET A 1 0.456 18.292 5.152 1.00 56.13 C ATOM 7 SD MET A 1 0.997 20.003 5.387 1.00 64.91 S ATOM 8 CE MET A 1 2.244 20.029 4.076 1.00 63.43 C ATOM 0 H1 MET A 1 -2.005 17.422 1.859 1.00 42.32 H new ATOM 0 H2 MET A 1 -1.779 15.757 2.104 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.587 16.685 3.274 1.00 42.32 H new ATOM 0 HA MET A 1 0.259 17.087 2.499 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.567 19.119 3.433 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.625 18.289 4.557 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.082 17.885 6.091 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.299 17.671 4.849 1.00 56.13 H new ATOM 0 HE1 MET A 1 2.835 20.942 4.154 1.00 63.43 H new ATOM 0 HE2 MET A 1 2.898 19.163 4.179 1.00 63.43 H new ATOM 0 HE3 MET A 1 1.751 19.998 3.104 1.00 63.43 H new ATOM 20 N ILE A 2 -1.127 15.285 4.891 1.00 28.59 N ATOM 21 CA ILE A 2 -0.835 14.162 5.820 1.00 24.58 C ATOM 22 C ILE A 2 0.020 14.712 6.959 1.00 19.29 C ATOM 23 O ILE A 2 1.173 14.365 7.122 1.00 19.53 O ATOM 24 CB ILE A 2 -0.078 13.058 5.086 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.665 12.868 3.687 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.222 11.753 5.863 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.432 12.385 2.743 1.00 33.80 C ATOM 0 H ILE A 2 -2.097 15.601 4.880 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.762 13.739 6.208 1.00 24.58 H new ATOM 0 HB ILE A 2 0.973 13.335 5.005 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.480 12.145 3.717 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.085 13.807 3.325 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.316 10.960 5.345 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.191 11.878 6.864 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.277 11.488 5.937 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.018 12.248 1.744 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.232 13.125 2.706 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.831 11.437 3.104 1.00 33.80 H new ATOM 39 N LYS A 3 -0.544 15.600 7.724 1.00 18.14 N ATOM 40 CA LYS A 3 0.205 16.237 8.843 1.00 16.66 C ATOM 41 C LYS A 3 0.788 15.191 9.784 1.00 14.94 C ATOM 42 O LYS A 3 0.389 14.043 9.791 1.00 13.94 O ATOM 43 CB LYS A 3 -0.731 17.163 9.622 1.00 16.94 C ATOM 44 CG LYS A 3 -0.749 18.544 8.964 1.00 17.85 C ATOM 45 CD LYS A 3 -1.965 19.331 9.455 1.00 19.63 C ATOM 46 CE LYS A 3 -1.606 20.814 9.561 1.00 26.28 C ATOM 47 NZ LYS A 3 -2.853 21.621 9.672 1.00 32.72 N ATOM 0 H LYS A 3 -1.508 15.918 7.621 1.00 18.14 H new ATOM 0 HA LYS A 3 1.029 16.811 8.420 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.738 16.746 9.643 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.399 17.246 10.657 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.167 19.084 9.204 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.784 18.441 7.879 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.800 19.197 8.767 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.287 18.954 10.426 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.972 20.984 10.431 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.036 21.125 8.685 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -2.609 22.629 9.744 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -3.442 21.467 8.829 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -3.380 21.331 10.520 1.00 32.72 H new ATOM 61 N VAL A 4 1.746 15.595 10.575 1.00 12.42 N ATOM 62 CA VAL A 4 2.394 14.655 11.523 1.00 12.99 C ATOM 63 C VAL A 4 3.093 15.447 12.632 1.00 14.26 C ATOM 64 O VAL A 4 3.266 16.646 12.544 1.00 13.80 O ATOM 65 CB VAL A 4 3.429 13.820 10.767 1.00 12.94 C ATOM 66 CG1 VAL A 4 4.100 12.827 11.718 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.754 13.060 9.623 1.00 10.41 C ATOM 0 H VAL A 4 2.108 16.548 10.602 1.00 12.42 H new ATOM 0 HA VAL A 4 1.642 14.002 11.965 1.00 12.99 H new ATOM 0 HB VAL A 4 4.186 14.488 10.357 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.835 12.238 11.170 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.597 13.371 12.521 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.346 12.163 12.142 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.498 12.468 9.090 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.987 12.400 10.028 1.00 10.41 H new ATOM 0 HG23 VAL A 4 2.295 13.770 8.935 1.00 10.41 H new ATOM 77 N GLU A 5 3.494 14.775 13.674 1.00 9.27 N ATOM 78 CA GLU A 5 4.182 15.457 14.807 1.00 10.51 C ATOM 79 C GLU A 5 5.106 14.468 15.499 1.00 10.00 C ATOM 80 O GLU A 5 4.674 13.589 16.216 1.00 10.96 O ATOM 81 CB GLU A 5 3.142 15.962 15.803 1.00 10.42 C ATOM 82 CG GLU A 5 2.530 17.252 15.268 1.00 18.68 C ATOM 83 CD GLU A 5 1.375 17.688 16.170 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.535 16.854 16.468 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.348 18.848 16.547 1.00 19.38 O ATOM 0 H GLU A 5 3.373 13.769 13.791 1.00 9.27 H new ATOM 0 HA GLU A 5 4.762 16.299 14.430 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.367 15.210 15.952 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.605 16.139 16.774 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.287 18.035 15.227 1.00 18.68 H new ATOM 0 HG3 GLU A 5 2.172 17.101 14.250 1.00 18.68 H new ATOM 92 N ILE A 6 6.379 14.607 15.295 1.00 9.86 N ATOM 93 CA ILE A 6 7.328 13.669 15.960 1.00 10.60 C ATOM 94 C ILE A 6 7.417 14.053 17.445 1.00 10.16 C ATOM 95 O ILE A 6 8.083 14.999 17.816 1.00 11.64 O ATOM 96 CB ILE A 6 8.708 13.735 15.267 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.765 12.667 14.172 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.831 13.461 16.265 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.421 13.290 12.820 1.00 13.81 C ATOM 0 H ILE A 6 6.806 15.320 14.704 1.00 9.86 H new ATOM 0 HA ILE A 6 6.977 12.640 15.880 1.00 10.60 H new ATOM 0 HB ILE A 6 8.838 14.733 14.848 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.760 12.224 14.135 1.00 14.23 H new ATOM 0 HG13 ILE A 6 8.066 11.862 14.400 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.792 13.513 15.754 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.802 14.207 17.060 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.702 12.468 16.695 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.463 12.524 12.045 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.417 13.712 12.859 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.137 14.079 12.590 1.00 13.81 H new ATOM 111 N LYS A 7 6.731 13.325 18.294 1.00 11.63 N ATOM 112 CA LYS A 7 6.749 13.637 19.749 1.00 11.59 C ATOM 113 C LYS A 7 8.187 13.896 20.207 1.00 12.98 C ATOM 114 O LYS A 7 9.121 13.678 19.461 1.00 9.79 O ATOM 115 CB LYS A 7 6.161 12.442 20.506 1.00 12.52 C ATOM 116 CG LYS A 7 4.703 12.727 20.896 1.00 14.26 C ATOM 117 CD LYS A 7 3.964 13.427 19.749 1.00 15.70 C ATOM 118 CE LYS A 7 3.566 14.836 20.185 1.00 19.19 C ATOM 119 NZ LYS A 7 4.450 15.837 19.523 1.00 25.43 N ATOM 0 H LYS A 7 6.157 12.523 18.034 1.00 11.63 H new ATOM 0 HA LYS A 7 6.158 14.530 19.950 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.211 11.548 19.884 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.752 12.242 21.400 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.198 11.793 21.145 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.675 13.352 21.789 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.602 13.474 18.866 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.078 12.857 19.471 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.525 15.027 19.924 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.645 14.927 21.268 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 3.882 16.653 19.218 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 5.179 16.154 20.194 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.906 15.404 18.695 1.00 25.43 H new ATOM 133 N PRO A 8 8.321 14.356 21.426 1.00 13.56 N ATOM 134 CA PRO A 8 9.636 14.658 22.017 1.00 11.93 C ATOM 135 C PRO A 8 10.353 13.364 22.392 1.00 10.20 C ATOM 136 O PRO A 8 11.566 13.289 22.394 1.00 12.05 O ATOM 137 CB PRO A 8 9.295 15.492 23.255 1.00 12.78 C ATOM 138 CG PRO A 8 7.829 15.158 23.614 1.00 12.51 C ATOM 139 CD PRO A 8 7.178 14.611 22.329 1.00 13.61 C ATOM 0 HA PRO A 8 10.307 15.186 21.339 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.962 15.250 24.082 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.412 16.556 23.051 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.784 14.421 24.416 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.304 16.046 23.967 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.614 13.699 22.525 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.482 15.330 21.898 1.00 13.61 H new ATOM 147 N SER A 9 9.610 12.343 22.695 1.00 10.65 N ATOM 148 CA SER A 9 10.239 11.044 23.055 1.00 10.83 C ATOM 149 C SER A 9 10.361 10.180 21.797 1.00 10.94 C ATOM 150 O SER A 9 10.782 9.042 21.852 1.00 13.16 O ATOM 151 CB SER A 9 9.374 10.323 24.090 1.00 13.01 C ATOM 152 OG SER A 9 9.587 10.907 25.369 1.00 15.52 O ATOM 0 H SER A 9 8.590 12.350 22.710 1.00 10.65 H new ATOM 0 HA SER A 9 11.229 11.221 23.476 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.322 10.395 23.815 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.625 9.263 24.115 1.00 13.01 H new ATOM 0 HG SER A 9 9.033 10.448 26.034 1.00 15.52 H new ATOM 158 N GLN A 10 9.998 10.716 20.661 1.00 10.02 N ATOM 159 CA GLN A 10 10.093 9.930 19.400 1.00 11.55 C ATOM 160 C GLN A 10 11.011 10.658 18.417 1.00 13.72 C ATOM 161 O GLN A 10 10.796 10.632 17.223 1.00 17.31 O ATOM 162 CB GLN A 10 8.707 9.788 18.776 1.00 6.60 C ATOM 163 CG GLN A 10 7.667 9.650 19.883 1.00 7.20 C ATOM 164 CD GLN A 10 7.776 8.264 20.522 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.430 7.387 19.993 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.157 8.028 21.646 1.00 4.80 N ATOM 0 H GLN A 10 9.640 11.665 20.554 1.00 10.02 H new ATOM 0 HA GLN A 10 10.496 8.942 19.622 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.483 10.657 18.158 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.677 8.916 18.123 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.820 10.422 20.637 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.667 9.796 19.476 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.608 8.764 22.090 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.222 7.107 22.081 1.00 4.80 H new ATOM 175 N ALA A 11 12.023 11.322 18.907 1.00 15.28 N ATOM 176 CA ALA A 11 12.937 12.063 17.991 1.00 18.95 C ATOM 177 C ALA A 11 14.279 11.334 17.876 1.00 20.75 C ATOM 178 O ALA A 11 15.269 11.906 17.465 1.00 24.78 O ATOM 179 CB ALA A 11 13.171 13.472 18.536 1.00 17.72 C ATOM 0 H ALA A 11 12.256 11.383 19.898 1.00 15.28 H new ATOM 0 HA ALA A 11 12.478 12.119 17.004 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.839 14.015 17.867 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.219 13.999 18.604 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.622 13.409 19.526 1.00 17.72 H new ATOM 185 N GLN A 12 14.325 10.080 18.231 1.00 22.50 N ATOM 186 CA GLN A 12 15.607 9.331 18.132 1.00 25.43 C ATOM 187 C GLN A 12 15.351 7.938 17.566 1.00 22.80 C ATOM 188 O GLN A 12 14.489 7.217 18.027 1.00 20.93 O ATOM 189 CB GLN A 12 16.236 9.210 19.514 1.00 30.18 C ATOM 190 CG GLN A 12 17.165 10.397 19.731 1.00 42.11 C ATOM 191 CD GLN A 12 17.987 10.183 21.004 1.00 46.61 C ATOM 192 OE1 GLN A 12 19.049 9.595 20.963 1.00 46.27 O ATOM 193 NE2 GLN A 12 17.538 10.640 22.141 1.00 47.90 N ATOM 0 H GLN A 12 13.533 9.544 18.584 1.00 22.50 H new ATOM 0 HA GLN A 12 16.285 9.869 17.469 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.462 9.190 20.281 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.791 8.275 19.597 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.828 10.514 18.874 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.584 11.316 19.812 1.00 42.11 H new ATOM 0 HE21 GLN A 12 16.646 11.134 22.176 1.00 47.90 H new ATOM 0 HE22 GLN A 12 18.079 10.503 22.995 1.00 47.90 H new ATOM 202 N PHE A 13 16.089 7.558 16.562 1.00 21.61 N ATOM 203 CA PHE A 13 15.883 6.218 15.959 1.00 20.51 C ATOM 204 C PHE A 13 16.512 5.134 16.832 1.00 18.83 C ATOM 205 O PHE A 13 17.009 5.391 17.911 1.00 18.83 O ATOM 206 CB PHE A 13 16.511 6.178 14.563 1.00 19.56 C ATOM 207 CG PHE A 13 17.933 6.718 14.589 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.624 6.896 15.801 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.563 7.036 13.380 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.932 7.387 15.792 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.871 7.525 13.376 1.00 14.07 C ATOM 212 CZ PHE A 13 20.553 7.700 14.581 1.00 18.48 C ATOM 0 H PHE A 13 16.826 8.119 16.134 1.00 21.61 H new ATOM 0 HA PHE A 13 14.812 6.031 15.885 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.514 5.153 14.191 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.907 6.766 13.872 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.144 6.653 16.738 1.00 20.50 H new ATOM 0 HD2 PHE A 13 18.036 6.903 12.447 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.463 7.525 16.722 1.00 20.75 H new ATOM 0 HE2 PHE A 13 20.354 7.768 12.441 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.564 8.079 14.577 1.00 18.48 H new ATOM 222 N THR A 14 16.502 3.924 16.360 1.00 14.89 N ATOM 223 CA THR A 14 17.110 2.812 17.136 1.00 13.37 C ATOM 224 C THR A 14 17.439 1.668 16.180 1.00 11.97 C ATOM 225 O THR A 14 16.737 1.430 15.217 1.00 10.76 O ATOM 226 CB THR A 14 16.137 2.325 18.212 1.00 13.68 C ATOM 227 OG1 THR A 14 15.753 3.420 19.032 1.00 13.48 O ATOM 228 CG2 THR A 14 16.818 1.258 19.068 1.00 9.24 C ATOM 0 H THR A 14 16.096 3.654 15.464 1.00 14.89 H new ATOM 0 HA THR A 14 18.020 3.162 17.624 1.00 13.37 H new ATOM 0 HB THR A 14 15.252 1.899 17.739 1.00 13.68 H new ATOM 0 HG1 THR A 14 16.419 4.135 18.957 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.126 0.910 19.835 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.112 0.419 18.438 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.702 1.683 19.543 1.00 9.24 H new ATOM 236 N THR A 15 18.504 0.964 16.429 1.00 13.20 N ATOM 237 CA THR A 15 18.880 -0.156 15.525 1.00 12.54 C ATOM 238 C THR A 15 18.093 -1.411 15.907 1.00 14.34 C ATOM 239 O THR A 15 18.234 -1.937 16.993 1.00 17.35 O ATOM 240 CB THR A 15 20.379 -0.436 15.653 1.00 11.88 C ATOM 241 OG1 THR A 15 21.016 0.677 16.265 1.00 17.15 O ATOM 242 CG2 THR A 15 20.978 -0.670 14.264 1.00 8.30 C ATOM 0 H THR A 15 19.131 1.115 17.219 1.00 13.20 H new ATOM 0 HA THR A 15 18.648 0.118 14.496 1.00 12.54 H new ATOM 0 HB THR A 15 20.532 -1.325 16.265 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.976 0.499 16.349 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.046 -0.869 14.357 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.489 -1.524 13.796 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.827 0.217 13.648 1.00 8.30 H new ATOM 435 N LEU A 28 17.963 -1.351 10.147 1.00 18.57 N ATOM 436 CA LEU A 28 18.245 0.108 10.027 1.00 16.31 C ATOM 437 C LEU A 28 17.735 0.845 11.265 1.00 14.21 C ATOM 438 O LEU A 28 17.079 0.278 12.116 1.00 16.97 O ATOM 439 CB LEU A 28 17.541 0.651 8.784 1.00 16.48 C ATOM 440 CG LEU A 28 18.583 1.096 7.757 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.674 0.055 6.639 1.00 24.00 C ATOM 442 CD2 LEU A 28 18.170 2.446 7.166 1.00 22.01 C ATOM 0 HA LEU A 28 19.321 0.262 9.943 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.897 -0.116 8.354 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.900 1.490 9.054 1.00 16.48 H new ATOM 0 HG LEU A 28 19.554 1.193 8.242 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.417 0.372 5.907 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.967 -0.907 7.060 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.703 -0.042 6.153 1.00 24.00 H new ATOM 0 HD21 LEU A 28 18.912 2.765 6.434 1.00 22.01 H new ATOM 0 HD22 LEU A 28 17.199 2.349 6.680 1.00 22.01 H new ATOM 0 HD23 LEU A 28 18.105 3.187 7.963 1.00 22.01 H new ATOM 454 N ASN A 29 18.029 2.112 11.363 1.00 11.64 N ATOM 455 CA ASN A 29 17.555 2.899 12.544 1.00 9.77 C ATOM 456 C ASN A 29 16.054 3.166 12.387 1.00 7.94 C ATOM 457 O ASN A 29 15.637 3.912 11.526 1.00 10.52 O ATOM 458 CB ASN A 29 18.288 4.249 12.651 1.00 14.73 C ATOM 459 CG ASN A 29 19.473 4.311 11.684 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.254 3.384 11.600 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.640 5.375 10.945 1.00 12.89 N ATOM 0 H ASN A 29 18.575 2.638 10.681 1.00 11.64 H new ATOM 0 HA ASN A 29 17.760 2.323 13.446 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.594 5.061 12.433 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.640 4.395 13.672 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.426 5.428 10.297 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.984 6.153 11.016 1.00 12.89 H new ATOM 468 N GLU A 30 15.239 2.565 13.208 1.00 8.58 N ATOM 469 CA GLU A 30 13.768 2.796 13.101 1.00 13.16 C ATOM 470 C GLU A 30 13.412 4.090 13.835 1.00 12.26 C ATOM 471 O GLU A 30 14.279 4.818 14.275 1.00 10.58 O ATOM 472 CB GLU A 30 13.019 1.624 13.738 1.00 14.93 C ATOM 473 CG GLU A 30 12.894 0.486 12.723 1.00 27.13 C ATOM 474 CD GLU A 30 11.655 0.710 11.854 1.00 33.28 C ATOM 475 OE1 GLU A 30 10.628 1.074 12.404 1.00 38.01 O ATOM 476 OE2 GLU A 30 11.753 0.514 10.654 1.00 40.03 O ATOM 0 H GLU A 30 15.526 1.924 13.948 1.00 8.58 H new ATOM 0 HA GLU A 30 13.483 2.877 12.052 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.550 1.278 14.625 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.030 1.945 14.064 1.00 14.93 H new ATOM 0 HG2 GLU A 30 13.786 0.442 12.098 1.00 27.13 H new ATOM 0 HG3 GLU A 30 12.820 -0.470 13.241 1.00 27.13 H new ATOM 483 N GLN A 31 12.149 4.386 13.975 1.00 10.34 N ATOM 484 CA GLN A 31 11.757 5.638 14.689 1.00 9.46 C ATOM 485 C GLN A 31 10.245 5.664 14.921 1.00 10.09 C ATOM 486 O GLN A 31 9.528 4.760 14.543 1.00 9.36 O ATOM 487 CB GLN A 31 12.152 6.858 13.851 1.00 7.25 C ATOM 488 CG GLN A 31 12.582 7.997 14.780 1.00 10.62 C ATOM 489 CD GLN A 31 11.543 9.119 14.728 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.409 8.896 14.354 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.884 10.327 15.089 1.00 12.39 N ATOM 0 H GLN A 31 11.374 3.820 13.629 1.00 10.34 H new ATOM 0 HA GLN A 31 12.272 5.665 15.649 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.966 6.599 13.174 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.312 7.176 13.233 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.684 7.629 15.801 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.558 8.377 14.479 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.836 10.516 15.403 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.198 11.082 15.057 1.00 12.39 H new ATOM 500 N LEU A 32 9.761 6.708 15.541 1.00 6.80 N ATOM 501 CA LEU A 32 8.299 6.820 15.804 1.00 10.34 C ATOM 502 C LEU A 32 7.858 8.270 15.584 1.00 9.02 C ATOM 503 O LEU A 32 8.609 9.198 15.808 1.00 11.15 O ATOM 504 CB LEU A 32 8.008 6.408 17.249 1.00 10.20 C ATOM 505 CG LEU A 32 8.416 4.949 17.456 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.306 4.838 18.697 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.162 4.092 17.647 1.00 15.89 C ATOM 0 H LEU A 32 10.320 7.492 15.878 1.00 6.80 H new ATOM 0 HA LEU A 32 7.752 6.165 15.126 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.555 7.051 17.939 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.948 6.535 17.468 1.00 10.20 H new ATOM 0 HG LEU A 32 8.967 4.598 16.583 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.597 3.798 18.844 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.199 5.448 18.560 1.00 17.42 H new ATOM 0 HD13 LEU A 32 8.757 5.189 19.571 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.451 3.052 17.795 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.611 4.443 18.520 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.529 4.171 16.763 1.00 15.89 H new ATOM 519 N CYS A 33 6.643 8.472 15.151 1.00 9.68 N ATOM 520 CA CYS A 33 6.144 9.855 14.917 1.00 8.10 C ATOM 521 C CYS A 33 4.634 9.847 15.110 1.00 6.34 C ATOM 522 O CYS A 33 4.056 8.830 15.425 1.00 8.02 O ATOM 523 CB CYS A 33 6.469 10.309 13.488 1.00 8.88 C ATOM 524 SG CYS A 33 8.045 9.596 12.954 1.00 13.84 S ATOM 0 H CYS A 33 5.971 7.732 14.948 1.00 9.68 H new ATOM 0 HA CYS A 33 6.623 10.542 15.614 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.673 10.001 12.810 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.520 11.397 13.446 1.00 8.88 H new ATOM 0 HG CYS A 33 8.852 9.518 13.970 1.00 13.84 H new ATOM 530 N TYR A 34 3.985 10.956 14.924 1.00 7.35 N ATOM 531 CA TYR A 34 2.510 10.976 15.105 1.00 7.08 C ATOM 532 C TYR A 34 1.855 11.581 13.865 1.00 7.71 C ATOM 533 O TYR A 34 1.922 12.773 13.639 1.00 7.80 O ATOM 534 CB TYR A 34 2.165 11.820 16.326 1.00 8.67 C ATOM 535 CG TYR A 34 2.339 11.000 17.583 1.00 9.11 C ATOM 536 CD1 TYR A 34 1.265 10.258 18.090 1.00 13.61 C ATOM 537 CD2 TYR A 34 3.566 11.005 18.255 1.00 12.44 C ATOM 538 CE1 TYR A 34 1.417 9.523 19.266 1.00 17.22 C ATOM 539 CE2 TYR A 34 3.717 10.271 19.434 1.00 16.38 C ATOM 540 CZ TYR A 34 2.642 9.532 19.939 1.00 16.83 C ATOM 541 OH TYR A 34 2.791 8.807 21.104 1.00 21.14 O ATOM 0 H TYR A 34 4.407 11.845 14.656 1.00 7.35 H new ATOM 0 HA TYR A 34 2.144 9.959 15.249 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.807 12.700 16.364 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.138 12.177 16.254 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.318 10.255 17.570 1.00 13.61 H new ATOM 0 HD2 TYR A 34 4.395 11.575 17.863 1.00 12.44 H new ATOM 0 HE1 TYR A 34 0.590 8.948 19.656 1.00 17.22 H new ATOM 0 HE2 TYR A 34 4.663 10.274 19.955 1.00 16.38 H new ATOM 0 HH TYR A 34 3.703 8.919 21.445 1.00 21.14 H new ATOM 551 N VAL A 35 1.234 10.775 13.049 1.00 9.44 N ATOM 552 CA VAL A 35 0.600 11.324 11.821 1.00 10.66 C ATOM 553 C VAL A 35 -0.896 11.548 12.026 1.00 10.57 C ATOM 554 O VAL A 35 -1.584 10.757 12.641 1.00 8.31 O ATOM 555 CB VAL A 35 0.805 10.365 10.652 1.00 10.22 C ATOM 556 CG1 VAL A 35 0.017 10.878 9.443 1.00 7.97 C ATOM 557 CG2 VAL A 35 2.293 10.305 10.302 1.00 9.86 C ATOM 0 H VAL A 35 1.139 9.768 13.179 1.00 9.44 H new ATOM 0 HA VAL A 35 1.072 12.282 11.603 1.00 10.66 H new ATOM 0 HB VAL A 35 0.456 9.369 10.924 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.158 10.199 8.602 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.042 10.930 9.695 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.374 11.871 9.171 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.443 9.621 9.467 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.642 11.299 10.023 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.856 9.952 11.166 1.00 9.86 H new ATOM 567 N ASP A 36 -1.401 12.620 11.484 1.00 8.58 N ATOM 568 CA ASP A 36 -2.846 12.919 11.596 1.00 11.48 C ATOM 569 C ASP A 36 -3.469 12.766 10.209 1.00 12.38 C ATOM 570 O ASP A 36 -4.360 13.499 9.826 1.00 11.89 O ATOM 571 CB ASP A 36 -3.041 14.353 12.095 1.00 16.17 C ATOM 572 CG ASP A 36 -2.420 14.500 13.485 1.00 17.97 C ATOM 573 OD1 ASP A 36 -1.563 13.697 13.818 1.00 15.67 O ATOM 574 OD2 ASP A 36 -2.811 15.413 14.193 1.00 25.89 O ATOM 0 H ASP A 36 -0.861 13.309 10.961 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.320 12.237 12.302 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -2.578 15.056 11.402 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.103 14.595 12.132 1.00 16.17 H new ATOM 579 N LEU A 37 -2.987 11.818 9.450 1.00 13.17 N ATOM 580 CA LEU A 37 -3.518 11.597 8.075 1.00 18.47 C ATOM 581 C LEU A 37 -5.040 11.739 8.066 1.00 21.14 C ATOM 582 O LEU A 37 -5.635 12.062 7.058 1.00 24.24 O ATOM 583 CB LEU A 37 -3.127 10.195 7.599 1.00 15.81 C ATOM 584 CG LEU A 37 -3.865 9.140 8.424 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.568 7.751 7.854 1.00 14.72 C ATOM 586 CD2 LEU A 37 -3.393 9.203 9.881 1.00 20.01 C ATOM 0 H LEU A 37 -2.240 11.181 9.728 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.093 12.344 7.404 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.371 10.079 6.543 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -2.050 10.056 7.695 1.00 15.81 H new ATOM 0 HG LEU A 37 -4.937 9.332 8.382 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.093 6.997 8.441 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -3.904 7.703 6.818 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -2.495 7.562 7.897 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -3.920 8.450 10.467 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -2.321 9.012 9.925 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -3.602 10.192 10.289 1.00 20.01 H new ATOM 598 N GLY A 38 -5.676 11.503 9.175 1.00 20.70 N ATOM 599 CA GLY A 38 -7.149 11.625 9.222 1.00 23.91 C ATOM 600 C GLY A 38 -7.638 11.217 10.613 1.00 26.50 C ATOM 601 O GLY A 38 -8.569 10.450 10.758 1.00 31.02 O ATOM 0 H GLY A 38 -5.234 11.230 10.053 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.449 12.650 9.003 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.604 10.990 8.462 1.00 23.91 H new ATOM 605 N ASN A 39 -7.009 11.727 11.637 1.00 27.64 N ATOM 606 CA ASN A 39 -7.413 11.385 13.021 1.00 30.27 C ATOM 607 C ASN A 39 -7.111 12.577 13.930 1.00 26.79 C ATOM 608 O ASN A 39 -5.967 12.891 14.190 1.00 26.87 O ATOM 609 CB ASN A 39 -6.625 10.163 13.506 1.00 35.62 C ATOM 610 CG ASN A 39 -6.819 8.998 12.533 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.929 8.693 12.146 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.776 8.325 12.123 1.00 39.63 N ATOM 0 H ASN A 39 -6.223 12.374 11.567 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.478 11.154 13.046 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -5.566 10.410 13.585 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -6.960 9.875 14.503 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.894 7.544 11.478 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -4.844 8.581 12.448 1.00 39.63 H new ATOM 619 N GLU A 40 -8.133 13.242 14.397 1.00 25.15 N ATOM 620 CA GLU A 40 -7.941 14.428 15.287 1.00 23.81 C ATOM 621 C GLU A 40 -6.719 14.225 16.175 1.00 21.12 C ATOM 622 O GLU A 40 -5.793 15.011 16.174 1.00 19.86 O ATOM 623 CB GLU A 40 -9.179 14.608 16.167 1.00 27.22 C ATOM 624 CG GLU A 40 -10.279 15.310 15.369 1.00 34.87 C ATOM 625 CD GLU A 40 -11.587 15.274 16.162 1.00 38.97 C ATOM 626 OE1 GLU A 40 -11.680 15.990 17.145 1.00 39.54 O ATOM 627 OE2 GLU A 40 -12.473 14.532 15.772 1.00 42.34 O ATOM 0 H GLU A 40 -9.107 13.012 14.198 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.792 15.314 14.670 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.533 13.638 16.517 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -8.927 15.194 17.051 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -9.993 16.342 15.165 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.412 14.820 14.405 1.00 34.87 H new ATOM 634 N HIS A 41 -6.713 13.168 16.920 1.00 4.81 N ATOM 635 CA HIS A 41 -5.552 12.884 17.809 1.00 4.39 C ATOM 636 C HIS A 41 -4.378 12.419 16.947 1.00 3.38 C ATOM 637 O HIS A 41 -4.570 11.993 15.826 1.00 2.51 O ATOM 638 CB HIS A 41 -5.922 11.780 18.802 1.00 4.79 C ATOM 639 CG HIS A 41 -7.267 12.074 19.406 1.00 4.35 C ATOM 640 ND1 HIS A 41 -7.505 13.211 20.161 1.00 4.60 N ATOM 641 CD2 HIS A 41 -8.455 11.387 19.377 1.00 5.16 C ATOM 642 CE1 HIS A 41 -8.791 13.176 20.553 1.00 5.82 C ATOM 643 NE2 HIS A 41 -9.417 12.085 20.103 1.00 6.57 N ATOM 0 H HIS A 41 -7.465 12.479 16.957 1.00 4.81 H new ATOM 0 HA HIS A 41 -5.279 13.784 18.360 1.00 4.39 H new ATOM 0 HB2 HIS A 41 -5.942 10.814 18.297 1.00 4.79 H new ATOM 0 HB3 HIS A 41 -5.167 11.714 19.585 1.00 4.79 H new ATOM 0 HD2 HIS A 41 -8.619 10.448 18.869 1.00 5.16 H new ATOM 0 HE1 HIS A 41 -9.261 13.937 21.158 1.00 5.82 H new ATOM 0 HE2 HIS A 41 -10.390 11.820 20.258 1.00 6.57 H new ATOM 651 N PRO A 42 -3.195 12.509 17.492 1.00 15.11 N ATOM 652 CA PRO A 42 -1.977 12.097 16.783 1.00 16.08 C ATOM 653 C PRO A 42 -1.857 10.576 16.799 1.00 17.92 C ATOM 654 O PRO A 42 -2.151 9.932 17.787 1.00 17.13 O ATOM 655 CB PRO A 42 -0.852 12.736 17.595 1.00 16.41 C ATOM 656 CG PRO A 42 -1.422 12.986 19.007 1.00 13.79 C ATOM 657 CD PRO A 42 -2.958 13.023 18.858 1.00 16.28 C ATOM 0 HA PRO A 42 -1.962 12.401 15.736 1.00 16.08 H new ATOM 0 HB2 PRO A 42 0.017 12.080 17.638 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.525 13.670 17.137 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.118 12.196 19.694 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.049 13.925 19.416 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.447 12.403 19.609 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.347 14.034 18.977 1.00 16.28 H new ATOM 665 N VAL A 43 -1.429 9.994 15.719 1.00 16.29 N ATOM 666 CA VAL A 43 -1.296 8.516 15.688 1.00 14.28 C ATOM 667 C VAL A 43 0.180 8.137 15.696 1.00 9.00 C ATOM 668 O VAL A 43 0.912 8.412 14.768 1.00 7.99 O ATOM 669 CB VAL A 43 -1.971 7.961 14.434 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.336 8.628 14.251 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.099 8.240 13.206 1.00 20.57 C ATOM 0 H VAL A 43 -1.166 10.475 14.859 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.780 8.091 16.567 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.101 6.885 14.545 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.817 8.232 13.357 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.961 8.423 15.120 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.204 9.705 14.145 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.586 7.842 12.316 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -0.962 9.315 13.094 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.128 7.762 13.333 1.00 20.57 H new ATOM 681 N LEU A 44 0.622 7.506 16.743 1.00 10.19 N ATOM 682 CA LEU A 44 2.048 7.113 16.818 1.00 11.55 C ATOM 683 C LEU A 44 2.337 6.031 15.780 1.00 10.61 C ATOM 684 O LEU A 44 1.943 4.891 15.925 1.00 13.49 O ATOM 685 CB LEU A 44 2.359 6.587 18.214 1.00 10.60 C ATOM 686 CG LEU A 44 3.810 6.123 18.265 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.728 7.286 17.876 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.146 5.658 19.683 1.00 20.21 C ATOM 0 H LEU A 44 0.055 7.246 17.550 1.00 10.19 H new ATOM 0 HA LEU A 44 2.675 7.981 16.614 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.188 7.367 18.956 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.692 5.761 18.461 1.00 10.60 H new ATOM 0 HG LEU A 44 3.955 5.297 17.569 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.767 6.957 17.912 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.487 7.618 16.866 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.585 8.112 18.573 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.183 5.326 19.721 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.004 6.484 20.380 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.490 4.832 19.960 1.00 20.21 H new ATOM 700 N VAL A 45 3.026 6.384 14.734 1.00 10.81 N ATOM 701 CA VAL A 45 3.349 5.386 13.678 1.00 9.29 C ATOM 702 C VAL A 45 4.849 5.092 13.712 1.00 9.95 C ATOM 703 O VAL A 45 5.609 5.761 14.383 1.00 9.36 O ATOM 704 CB VAL A 45 2.923 5.938 12.311 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.852 5.431 11.196 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.491 5.481 12.019 1.00 10.20 C ATOM 0 H VAL A 45 3.381 7.325 14.563 1.00 10.81 H new ATOM 0 HA VAL A 45 2.809 4.456 13.855 1.00 9.29 H new ATOM 0 HB VAL A 45 2.982 7.026 12.339 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.527 5.838 10.238 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.873 5.753 11.399 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.815 4.342 11.159 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.176 5.867 11.049 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.452 4.392 12.006 1.00 10.20 H new ATOM 0 HG23 VAL A 45 0.824 5.858 12.794 1.00 10.20 H new ATOM 716 N LYS A 46 5.277 4.087 13.004 1.00 10.76 N ATOM 717 CA LYS A 46 6.723 3.742 13.010 1.00 12.81 C ATOM 718 C LYS A 46 7.443 4.439 11.851 1.00 13.35 C ATOM 719 O LYS A 46 6.831 4.897 10.906 1.00 12.90 O ATOM 720 CB LYS A 46 6.886 2.225 12.871 1.00 17.04 C ATOM 721 CG LYS A 46 7.890 1.714 13.909 1.00 26.60 C ATOM 722 CD LYS A 46 7.395 0.387 14.486 1.00 33.77 C ATOM 723 CE LYS A 46 6.666 0.642 15.807 1.00 34.48 C ATOM 724 NZ LYS A 46 6.140 -0.645 16.341 1.00 36.74 N ATOM 0 H LYS A 46 4.689 3.490 12.422 1.00 10.76 H new ATOM 0 HA LYS A 46 7.161 4.077 13.950 1.00 12.81 H new ATOM 0 HB2 LYS A 46 5.924 1.732 13.009 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.229 1.977 11.867 1.00 17.04 H new ATOM 0 HG2 LYS A 46 8.869 1.580 13.449 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.010 2.447 14.706 1.00 26.60 H new ATOM 0 HD2 LYS A 46 6.726 -0.102 13.778 1.00 33.77 H new ATOM 0 HD3 LYS A 46 8.236 -0.287 14.647 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.346 1.096 16.528 1.00 34.48 H new ATOM 0 HE3 LYS A 46 5.848 1.346 15.653 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 5.645 -0.472 17.239 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 5.478 -1.061 15.655 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 6.930 -1.302 16.503 1.00 36.74 H new ATOM 738 N ILE A 47 8.745 4.514 11.923 1.00 13.96 N ATOM 739 CA ILE A 47 9.531 5.167 10.841 1.00 16.93 C ATOM 740 C ILE A 47 10.784 4.324 10.568 1.00 16.52 C ATOM 741 O ILE A 47 11.154 3.472 11.351 1.00 17.67 O ATOM 742 CB ILE A 47 9.910 6.599 11.281 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.019 7.601 10.550 1.00 19.39 C ATOM 744 CG2 ILE A 47 11.376 6.916 10.947 1.00 18.08 C ATOM 745 CD1 ILE A 47 9.374 7.599 9.063 1.00 18.26 C ATOM 0 H ILE A 47 9.302 4.146 12.694 1.00 13.96 H new ATOM 0 HA ILE A 47 8.945 5.234 9.925 1.00 16.93 H new ATOM 0 HB ILE A 47 9.772 6.670 12.360 1.00 19.74 H new ATOM 0 HG12 ILE A 47 7.970 7.339 10.686 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.155 8.599 10.967 1.00 19.39 H new ATOM 0 HG21 ILE A 47 11.611 7.930 11.269 1.00 18.08 H new ATOM 0 HG22 ILE A 47 12.027 6.211 11.463 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.531 6.832 9.871 1.00 18.08 H new ATOM 0 HD11 ILE A 47 8.740 8.313 8.537 1.00 18.26 H new ATOM 0 HD12 ILE A 47 10.420 7.881 8.938 1.00 18.26 H new ATOM 0 HD13 ILE A 47 9.216 6.602 8.652 1.00 18.26 H new ATOM 757 N THR A 48 11.442 4.561 9.466 1.00 16.86 N ATOM 758 CA THR A 48 12.668 3.779 9.150 1.00 16.59 C ATOM 759 C THR A 48 13.834 4.742 8.910 1.00 19.04 C ATOM 760 O THR A 48 14.288 4.917 7.797 1.00 22.56 O ATOM 761 CB THR A 48 12.427 2.936 7.896 1.00 16.30 C ATOM 762 OG1 THR A 48 11.571 1.848 8.217 1.00 17.90 O ATOM 763 CG2 THR A 48 13.760 2.401 7.372 1.00 16.02 C ATOM 0 H THR A 48 11.183 5.262 8.772 1.00 16.86 H new ATOM 0 HA THR A 48 12.908 3.120 9.984 1.00 16.59 H new ATOM 0 HB THR A 48 11.960 3.553 7.128 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.800 1.503 9.105 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.585 1.801 6.479 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.416 3.236 7.126 1.00 16.02 H new ATOM 0 HG23 THR A 48 14.231 1.784 8.137 1.00 16.02 H new ATOM 771 N LEU A 49 14.319 5.365 9.951 1.00 18.35 N ATOM 772 CA LEU A 49 15.456 6.318 9.803 1.00 18.82 C ATOM 773 C LEU A 49 16.474 5.755 8.809 1.00 20.06 C ATOM 774 O LEU A 49 16.801 4.585 8.837 1.00 18.35 O ATOM 775 CB LEU A 49 16.135 6.500 11.163 1.00 18.79 C ATOM 776 CG LEU A 49 16.147 7.974 11.562 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.171 8.726 10.708 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.755 8.578 11.347 1.00 14.50 C ATOM 0 H LEU A 49 13.973 5.253 10.904 1.00 18.35 H new ATOM 0 HA LEU A 49 15.083 7.275 9.439 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.610 5.917 11.919 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.156 6.120 11.120 1.00 18.79 H new ATOM 0 HG LEU A 49 16.418 8.062 12.614 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.180 9.778 10.993 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.161 8.299 10.867 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.902 8.637 9.655 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.767 9.630 11.633 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.479 8.490 10.296 1.00 14.50 H new ATOM 0 HD23 LEU A 49 14.028 8.044 11.959 1.00 14.50 H new ATOM 790 N ASP A 50 16.982 6.578 7.933 1.00 22.62 N ATOM 791 CA ASP A 50 17.982 6.088 6.943 1.00 27.04 C ATOM 792 C ASP A 50 19.347 5.959 7.622 1.00 27.73 C ATOM 793 O ASP A 50 19.564 6.473 8.701 1.00 26.65 O ATOM 794 CB ASP A 50 18.081 7.081 5.783 1.00 29.11 C ATOM 795 CG ASP A 50 17.757 6.367 4.470 1.00 30.37 C ATOM 796 OD1 ASP A 50 17.798 5.148 4.456 1.00 33.99 O ATOM 797 OD2 ASP A 50 17.473 7.051 3.501 1.00 30.76 O ATOM 0 H ASP A 50 16.748 7.568 7.860 1.00 22.62 H new ATOM 0 HA ASP A 50 17.671 5.115 6.562 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.389 7.909 5.939 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.083 7.507 5.740 1.00 29.11 H new ATOM 802 N GLU A 51 20.269 5.276 7.001 1.00 31.16 N ATOM 803 CA GLU A 51 21.617 5.115 7.615 1.00 34.22 C ATOM 804 C GLU A 51 22.375 6.442 7.538 1.00 34.98 C ATOM 805 O GLU A 51 22.699 6.922 6.470 1.00 34.19 O ATOM 806 CB GLU A 51 22.398 4.038 6.858 1.00 38.24 C ATOM 807 CG GLU A 51 23.345 3.321 7.822 1.00 46.84 C ATOM 808 CD GLU A 51 24.793 3.665 7.468 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.363 2.967 6.645 1.00 53.83 O ATOM 810 OE2 GLU A 51 25.307 4.622 8.024 1.00 54.92 O ATOM 0 H GLU A 51 20.147 4.823 6.095 1.00 31.16 H new ATOM 0 HA GLU A 51 21.507 4.819 8.658 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.709 3.323 6.409 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.965 4.490 6.044 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.130 3.619 8.848 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.192 2.243 7.764 1.00 46.84 H new ATOM 817 N GLY A 52 22.662 7.038 8.663 1.00 34.53 N ATOM 818 CA GLY A 52 23.400 8.333 8.655 1.00 34.93 C ATOM 819 C GLY A 52 22.408 9.492 8.764 1.00 36.10 C ATOM 820 O GLY A 52 22.790 10.639 8.890 1.00 35.97 O ATOM 0 H GLY A 52 22.417 6.684 9.588 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.105 8.366 9.485 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.982 8.425 7.738 1.00 34.93 H new ATOM 824 N GLN A 53 21.135 9.206 8.716 1.00 36.52 N ATOM 825 CA GLN A 53 20.122 10.294 8.816 1.00 35.40 C ATOM 826 C GLN A 53 19.771 10.533 10.288 1.00 31.02 C ATOM 827 O GLN A 53 19.725 9.603 11.070 1.00 29.05 O ATOM 828 CB GLN A 53 18.860 9.887 8.052 1.00 41.20 C ATOM 829 CG GLN A 53 18.758 10.702 6.761 1.00 47.61 C ATOM 830 CD GLN A 53 17.285 10.940 6.422 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.408 10.567 7.175 1.00 53.91 O ATOM 832 NE2 GLN A 53 16.975 11.549 5.311 1.00 54.76 N ATOM 0 H GLN A 53 20.753 8.266 8.612 1.00 36.52 H new ATOM 0 HA GLN A 53 20.529 11.209 8.386 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.890 8.822 7.821 1.00 41.20 H new ATOM 0 HB3 GLN A 53 17.978 10.054 8.670 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.274 11.655 6.879 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.249 10.173 5.945 1.00 47.61 H new ATOM 0 HE21 GLN A 53 17.711 11.862 4.679 1.00 54.76 H new ATOM 0 HE22 GLN A 53 15.996 11.712 5.075 1.00 54.76 H new ATOM 841 N PRO A 54 19.529 11.776 10.622 1.00 27.43 N ATOM 842 CA PRO A 54 19.175 12.175 11.994 1.00 23.44 C ATOM 843 C PRO A 54 17.703 11.862 12.276 1.00 20.14 C ATOM 844 O PRO A 54 16.821 12.298 11.564 1.00 21.64 O ATOM 845 CB PRO A 54 19.424 13.682 12.009 1.00 24.39 C ATOM 846 CG PRO A 54 19.356 14.146 10.539 1.00 27.18 C ATOM 847 CD PRO A 54 19.588 12.899 9.667 1.00 28.37 C ATOM 0 HA PRO A 54 19.750 11.648 12.755 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.675 14.194 12.613 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.396 13.911 12.445 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.388 14.596 10.320 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.113 14.904 10.338 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.825 12.805 8.894 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.552 12.941 9.160 1.00 28.37 H new ATOM 855 N ALA A 55 17.434 11.102 13.303 1.00 17.21 N ATOM 856 CA ALA A 55 16.026 10.751 13.629 1.00 15.58 C ATOM 857 C ALA A 55 15.111 11.963 13.433 1.00 16.41 C ATOM 858 O ALA A 55 15.475 13.085 13.726 1.00 13.65 O ATOM 859 CB ALA A 55 15.951 10.291 15.082 1.00 13.98 C ATOM 0 H ALA A 55 18.134 10.708 13.932 1.00 17.21 H new ATOM 0 HA ALA A 55 15.696 9.953 12.964 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.921 10.032 15.329 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.588 9.418 15.221 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.290 11.095 15.736 1.00 13.98 H new ATOM 865 N TYR A 56 13.917 11.740 12.948 1.00 15.93 N ATOM 866 CA TYR A 56 12.967 12.871 12.742 1.00 14.61 C ATOM 867 C TYR A 56 12.969 13.761 13.986 1.00 15.51 C ATOM 868 O TYR A 56 12.401 13.418 15.003 1.00 17.19 O ATOM 869 CB TYR A 56 11.554 12.320 12.524 1.00 12.92 C ATOM 870 CG TYR A 56 11.466 11.575 11.203 1.00 11.75 C ATOM 871 CD1 TYR A 56 12.590 11.462 10.372 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.255 10.996 10.822 1.00 12.42 C ATOM 873 CE1 TYR A 56 12.495 10.768 9.160 1.00 7.90 C ATOM 874 CE2 TYR A 56 10.158 10.305 9.614 1.00 11.47 C ATOM 875 CZ TYR A 56 11.277 10.189 8.780 1.00 10.29 C ATOM 876 OH TYR A 56 11.181 9.504 7.586 1.00 12.03 O ATOM 0 H TYR A 56 13.559 10.822 12.686 1.00 15.93 H new ATOM 0 HA TYR A 56 13.273 13.449 11.870 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.289 11.651 13.343 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.834 13.138 12.535 1.00 12.92 H new ATOM 0 HD1 TYR A 56 13.528 11.910 10.667 1.00 7.14 H new ATOM 0 HD2 TYR A 56 9.391 11.083 11.464 1.00 12.42 H new ATOM 0 HE1 TYR A 56 13.359 10.679 8.519 1.00 7.90 H new ATOM 0 HE2 TYR A 56 9.219 9.859 9.322 1.00 11.47 H new ATOM 0 HH TYR A 56 12.049 9.104 7.368 1.00 12.03 H new ATOM 886 N ALA A 57 13.600 14.900 13.921 1.00 13.38 N ATOM 887 CA ALA A 57 13.624 15.799 15.109 1.00 14.95 C ATOM 888 C ALA A 57 12.188 16.048 15.581 1.00 15.46 C ATOM 889 O ALA A 57 11.246 15.716 14.890 1.00 17.82 O ATOM 890 CB ALA A 57 14.277 17.130 14.731 1.00 14.98 C ATOM 0 H ALA A 57 14.098 15.246 13.101 1.00 13.38 H new ATOM 0 HA ALA A 57 14.197 15.332 15.910 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.294 17.787 15.601 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.297 16.951 14.391 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.706 17.601 13.931 1.00 14.98 H new ATOM 896 N PRO A 58 12.065 16.628 16.747 1.00 15.20 N ATOM 897 CA PRO A 58 10.753 16.939 17.343 1.00 16.55 C ATOM 898 C PRO A 58 10.150 18.177 16.676 1.00 16.75 C ATOM 899 O PRO A 58 10.661 19.272 16.800 1.00 17.28 O ATOM 900 CB PRO A 58 11.081 17.209 18.814 1.00 15.65 C ATOM 901 CG PRO A 58 12.580 17.589 18.865 1.00 14.16 C ATOM 902 CD PRO A 58 13.218 17.031 17.577 1.00 13.96 C ATOM 0 HA PRO A 58 10.021 16.141 17.219 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.462 18.015 19.208 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.883 16.328 19.424 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.704 18.670 18.922 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.057 17.166 19.749 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.826 17.784 17.075 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.871 16.184 17.790 1.00 13.96 H new ATOM 910 N GLY A 59 9.069 18.011 15.964 1.00 17.22 N ATOM 911 CA GLY A 59 8.442 19.178 15.286 1.00 15.08 C ATOM 912 C GLY A 59 7.222 18.721 14.483 1.00 14.96 C ATOM 913 O GLY A 59 6.856 17.564 14.501 1.00 13.79 O ATOM 0 H GLY A 59 8.595 17.119 15.823 1.00 17.22 H new ATOM 0 HA2 GLY A 59 8.144 19.922 16.025 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.165 19.657 14.625 1.00 15.08 H new ATOM 917 N LEU A 60 6.597 19.621 13.770 1.00 15.83 N ATOM 918 CA LEU A 60 5.413 19.239 12.949 1.00 14.53 C ATOM 919 C LEU A 60 5.906 18.503 11.705 1.00 14.15 C ATOM 920 O LEU A 60 6.898 18.882 11.116 1.00 13.27 O ATOM 921 CB LEU A 60 4.664 20.504 12.523 1.00 15.84 C ATOM 922 CG LEU A 60 3.178 20.349 12.834 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.490 21.713 12.731 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.546 19.381 11.831 1.00 15.01 C ATOM 0 H LEU A 60 6.857 20.606 13.722 1.00 15.83 H new ATOM 0 HA LEU A 60 4.745 18.600 13.526 1.00 14.53 H new ATOM 0 HB2 LEU A 60 5.067 21.371 13.047 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.806 20.681 11.457 1.00 15.84 H new ATOM 0 HG LEU A 60 3.057 19.957 13.844 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.429 21.603 12.953 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.940 22.403 13.445 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.611 22.106 11.722 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.485 19.270 12.052 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.667 19.773 10.821 1.00 15.01 H new ATOM 0 HD23 LEU A 60 3.036 18.410 11.904 1.00 15.01 H new ATOM 936 N TYR A 61 5.244 17.455 11.292 1.00 11.12 N ATOM 937 CA TYR A 61 5.726 16.730 10.088 1.00 9.57 C ATOM 938 C TYR A 61 4.620 16.553 9.068 1.00 11.76 C ATOM 939 O TYR A 61 3.451 16.727 9.339 1.00 11.26 O ATOM 940 CB TYR A 61 6.265 15.361 10.485 1.00 9.42 C ATOM 941 CG TYR A 61 7.688 15.530 10.924 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.965 16.156 12.139 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.729 15.085 10.102 1.00 10.68 C ATOM 944 CE1 TYR A 61 9.287 16.339 12.540 1.00 13.99 C ATOM 945 CE2 TYR A 61 10.053 15.266 10.504 1.00 13.03 C ATOM 946 CZ TYR A 61 10.329 15.894 11.722 1.00 11.06 C ATOM 947 OH TYR A 61 11.637 16.075 12.128 1.00 14.61 O ATOM 0 H TYR A 61 4.404 17.077 11.730 1.00 11.12 H new ATOM 0 HA TYR A 61 6.519 17.327 9.638 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.666 14.935 11.290 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.206 14.670 9.644 1.00 9.42 H new ATOM 0 HD1 TYR A 61 7.157 16.498 12.768 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.509 14.604 9.161 1.00 10.68 H new ATOM 0 HE1 TYR A 61 9.506 16.823 13.480 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.862 14.922 9.876 1.00 13.03 H new ATOM 0 HH TYR A 61 11.665 16.188 13.101 1.00 14.61 H new ATOM 957 N THR A 62 5.009 16.190 7.890 1.00 12.22 N ATOM 958 CA THR A 62 4.045 15.958 6.802 1.00 14.26 C ATOM 959 C THR A 62 4.654 14.901 5.908 1.00 15.40 C ATOM 960 O THR A 62 5.737 15.068 5.383 1.00 16.24 O ATOM 961 CB THR A 62 3.822 17.240 6.014 1.00 15.07 C ATOM 962 OG1 THR A 62 5.018 17.590 5.330 1.00 18.36 O ATOM 963 CG2 THR A 62 3.430 18.359 6.974 1.00 11.61 C ATOM 0 H THR A 62 5.984 16.041 7.631 1.00 12.22 H new ATOM 0 HA THR A 62 3.079 15.638 7.194 1.00 14.26 H new ATOM 0 HB THR A 62 3.024 17.090 5.287 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.408 16.789 4.921 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.269 19.280 6.413 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.512 18.087 7.495 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.228 18.511 7.701 1.00 11.61 H new ATOM 971 N VAL A 63 3.997 13.806 5.749 1.00 14.65 N ATOM 972 CA VAL A 63 4.584 12.741 4.911 1.00 15.17 C ATOM 973 C VAL A 63 5.015 13.342 3.581 1.00 14.24 C ATOM 974 O VAL A 63 4.656 14.451 3.240 1.00 19.13 O ATOM 975 CB VAL A 63 3.579 11.623 4.688 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.338 10.346 4.337 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.769 11.400 5.970 1.00 18.64 C ATOM 0 H VAL A 63 3.086 13.598 6.157 1.00 14.65 H new ATOM 0 HA VAL A 63 5.451 12.316 5.417 1.00 15.17 H new ATOM 0 HB VAL A 63 2.901 11.888 3.877 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.629 9.534 4.174 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.920 10.507 3.430 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.008 10.084 5.156 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.048 10.598 5.810 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.442 11.126 6.783 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.240 12.317 6.230 1.00 18.64 H new ATOM 987 N HIS A 64 5.792 12.623 2.835 1.00 13.31 N ATOM 988 CA HIS A 64 6.261 13.151 1.529 1.00 10.78 C ATOM 989 C HIS A 64 5.898 12.150 0.432 1.00 14.19 C ATOM 990 O HIS A 64 6.253 10.985 0.499 1.00 11.59 O ATOM 991 CB HIS A 64 7.777 13.354 1.578 1.00 11.86 C ATOM 992 CG HIS A 64 8.179 14.413 0.590 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.527 14.580 -0.621 1.00 17.90 N ATOM 994 CD2 HIS A 64 9.183 15.349 0.609 1.00 17.63 C ATOM 995 CE1 HIS A 64 8.145 15.573 -1.281 1.00 19.32 C ATOM 996 NE2 HIS A 64 9.161 16.080 -0.577 1.00 20.65 N ATOM 0 H HIS A 64 6.126 11.689 3.071 1.00 13.31 H new ATOM 0 HA HIS A 64 5.784 14.108 1.317 1.00 10.78 H new ATOM 0 HB2 HIS A 64 8.082 13.646 2.583 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.286 12.418 1.350 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.882 15.496 1.419 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.856 15.920 -2.262 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.786 16.839 -0.849 1.00 20.65 H new ATOM 1004 N LEU A 65 5.178 12.592 -0.568 1.00 12.93 N ATOM 1005 CA LEU A 65 4.767 11.676 -1.668 1.00 14.44 C ATOM 1006 C LEU A 65 5.986 11.277 -2.504 1.00 12.66 C ATOM 1007 O LEU A 65 5.890 10.473 -3.411 1.00 10.20 O ATOM 1008 CB LEU A 65 3.680 12.379 -2.511 1.00 14.94 C ATOM 1009 CG LEU A 65 4.173 12.755 -3.914 1.00 19.65 C ATOM 1010 CD1 LEU A 65 3.581 11.789 -4.939 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.731 14.183 -4.242 1.00 19.03 C ATOM 0 H LEU A 65 4.857 13.555 -0.668 1.00 12.93 H new ATOM 0 HA LEU A 65 4.347 10.754 -1.266 1.00 14.44 H new ATOM 0 HB2 LEU A 65 2.813 11.724 -2.598 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.349 13.279 -1.993 1.00 14.94 H new ATOM 0 HG LEU A 65 5.261 12.694 -3.946 1.00 19.65 H new ATOM 0 HD11 LEU A 65 3.931 12.056 -5.936 1.00 15.75 H new ATOM 0 HD12 LEU A 65 3.895 10.772 -4.705 1.00 15.75 H new ATOM 0 HD13 LEU A 65 2.493 11.848 -4.909 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.080 14.452 -5.239 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.643 14.244 -4.210 1.00 19.03 H new ATOM 0 HD23 LEU A 65 4.154 14.872 -3.511 1.00 19.03 H new ATOM 1023 N SER A 66 7.135 11.815 -2.200 1.00 13.51 N ATOM 1024 CA SER A 66 8.350 11.445 -2.968 1.00 10.39 C ATOM 1025 C SER A 66 8.558 9.933 -2.845 1.00 8.56 C ATOM 1026 O SER A 66 9.337 9.339 -3.563 1.00 11.70 O ATOM 1027 CB SER A 66 9.563 12.175 -2.387 1.00 12.88 C ATOM 1028 OG SER A 66 10.624 12.147 -3.332 1.00 14.72 O ATOM 0 H SER A 66 7.282 12.494 -1.453 1.00 13.51 H new ATOM 0 HA SER A 66 8.232 11.725 -4.015 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.301 13.206 -2.147 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.876 11.701 -1.457 1.00 12.88 H new ATOM 0 HG SER A 66 11.402 12.615 -2.964 1.00 14.72 H new ATOM 1034 N SER A 67 7.869 9.311 -1.920 1.00 7.98 N ATOM 1035 CA SER A 67 8.025 7.843 -1.724 1.00 8.20 C ATOM 1036 C SER A 67 6.939 7.075 -2.489 1.00 11.02 C ATOM 1037 O SER A 67 6.965 5.863 -2.557 1.00 11.45 O ATOM 1038 CB SER A 67 7.908 7.521 -0.234 1.00 8.01 C ATOM 1039 OG SER A 67 8.834 8.319 0.493 1.00 11.22 O ATOM 0 H SER A 67 7.204 9.762 -1.292 1.00 7.98 H new ATOM 0 HA SER A 67 9.002 7.541 -2.102 1.00 8.20 H new ATOM 0 HB2 SER A 67 6.893 7.714 0.113 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.108 6.463 -0.062 1.00 8.01 H new ATOM 0 HG SER A 67 9.311 7.759 1.140 1.00 11.22 H new ATOM 1045 N PHE A 68 5.976 7.758 -3.049 1.00 10.09 N ATOM 1046 CA PHE A 68 4.894 7.038 -3.782 1.00 11.79 C ATOM 1047 C PHE A 68 5.369 6.680 -5.189 1.00 12.69 C ATOM 1048 O PHE A 68 6.290 7.271 -5.718 1.00 14.25 O ATOM 1049 CB PHE A 68 3.645 7.923 -3.881 1.00 10.08 C ATOM 1050 CG PHE A 68 3.293 8.500 -2.525 1.00 11.89 C ATOM 1051 CD1 PHE A 68 3.953 8.068 -1.364 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.311 9.493 -2.439 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.628 8.631 -0.126 1.00 9.89 C ATOM 1054 CE2 PHE A 68 1.990 10.056 -1.200 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.650 9.625 -0.044 1.00 11.87 C ATOM 0 H PHE A 68 5.892 8.774 -3.031 1.00 10.09 H new ATOM 0 HA PHE A 68 4.649 6.127 -3.236 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.820 8.731 -4.592 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.808 7.339 -4.262 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.711 7.301 -1.427 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.800 9.825 -3.331 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.134 8.297 0.768 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.233 10.823 -1.135 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.403 10.061 0.913 1.00 11.87 H new ATOM 1065 N LYS A 69 4.739 5.716 -5.799 1.00 12.51 N ATOM 1066 CA LYS A 69 5.135 5.308 -7.175 1.00 15.38 C ATOM 1067 C LYS A 69 3.921 4.708 -7.885 1.00 15.02 C ATOM 1068 O LYS A 69 2.877 4.518 -7.293 1.00 15.36 O ATOM 1069 CB LYS A 69 6.252 4.264 -7.104 1.00 16.04 C ATOM 1070 CG LYS A 69 7.555 4.935 -6.660 1.00 20.35 C ATOM 1071 CD LYS A 69 8.746 4.193 -7.270 1.00 21.35 C ATOM 1072 CE LYS A 69 8.750 2.742 -6.785 1.00 30.24 C ATOM 1073 NZ LYS A 69 9.257 1.855 -7.870 1.00 32.70 N ATOM 0 H LYS A 69 3.961 5.190 -5.401 1.00 12.51 H new ATOM 0 HA LYS A 69 5.494 6.178 -7.725 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.981 3.474 -6.404 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.387 3.794 -8.078 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.564 5.979 -6.974 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.627 4.928 -5.572 1.00 20.35 H new ATOM 0 HD2 LYS A 69 8.688 4.223 -8.358 1.00 21.35 H new ATOM 0 HD3 LYS A 69 9.677 4.684 -6.987 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.378 2.646 -5.899 1.00 30.24 H new ATOM 0 HE3 LYS A 69 7.743 2.441 -6.496 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 9.259 0.869 -7.540 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 8.641 1.939 -8.704 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 10.225 2.137 -8.125 1.00 32.70 H new ATOM 1087 N VAL A 70 4.048 4.406 -9.146 1.00 13.65 N ATOM 1088 CA VAL A 70 2.896 3.817 -9.887 1.00 13.49 C ATOM 1089 C VAL A 70 3.199 2.356 -10.226 1.00 11.85 C ATOM 1090 O VAL A 70 4.135 2.055 -10.940 1.00 12.13 O ATOM 1091 CB VAL A 70 2.651 4.596 -11.179 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.154 4.596 -11.498 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.139 6.039 -11.019 1.00 15.63 C ATOM 0 H VAL A 70 4.897 4.541 -9.696 1.00 13.65 H new ATOM 0 HA VAL A 70 2.006 3.872 -9.261 1.00 13.49 H new ATOM 0 HB VAL A 70 3.199 4.121 -11.993 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.978 5.151 -12.419 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.808 3.570 -11.621 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.608 5.067 -10.681 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.961 6.588 -11.944 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.598 6.518 -10.203 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.206 6.040 -10.796 1.00 15.63 H new ATOM 1103 N GLY A 71 2.413 1.446 -9.719 1.00 11.15 N ATOM 1104 CA GLY A 71 2.654 0.004 -10.013 1.00 11.07 C ATOM 1105 C GLY A 71 1.937 -0.374 -11.310 1.00 12.15 C ATOM 1106 O GLY A 71 1.352 0.461 -11.971 1.00 12.70 O ATOM 0 H GLY A 71 1.615 1.638 -9.114 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.723 -0.186 -10.106 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.291 -0.612 -9.190 1.00 11.07 H new ATOM 1110 N GLN A 72 1.975 -1.625 -11.684 1.00 15.78 N ATOM 1111 CA GLN A 72 1.293 -2.040 -12.939 1.00 19.42 C ATOM 1112 C GLN A 72 -0.155 -2.418 -12.639 1.00 16.97 C ATOM 1113 O GLN A 72 -0.801 -3.109 -13.401 1.00 20.46 O ATOM 1114 CB GLN A 72 2.017 -3.235 -13.550 1.00 22.64 C ATOM 1115 CG GLN A 72 2.139 -4.326 -12.497 1.00 25.29 C ATOM 1116 CD GLN A 72 1.338 -5.553 -12.933 1.00 26.29 C ATOM 1117 OE1 GLN A 72 1.898 -6.528 -13.394 1.00 26.22 O ATOM 1118 NE2 GLN A 72 0.039 -5.546 -12.806 1.00 25.15 N ATOM 0 H GLN A 72 2.447 -2.373 -11.176 1.00 15.78 H new ATOM 0 HA GLN A 72 1.310 -1.210 -13.645 1.00 19.42 H new ATOM 0 HB2 GLN A 72 1.469 -3.606 -14.416 1.00 22.64 H new ATOM 0 HB3 GLN A 72 3.005 -2.938 -13.902 1.00 22.64 H new ATOM 0 HG2 GLN A 72 3.186 -4.594 -12.357 1.00 25.29 H new ATOM 0 HG3 GLN A 72 1.772 -3.962 -11.538 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -0.431 -4.728 -12.419 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -0.506 -6.359 -13.094 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.666 -1.966 -11.533 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.075 -2.291 -11.172 1.00 14.60 C ATOM 1129 C PHE A 73 -2.988 -1.127 -11.570 1.00 15.63 C ATOM 1130 O PHE A 73 -4.197 -1.246 -11.566 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.175 -2.525 -9.663 1.00 12.63 C ATOM 1132 CG PHE A 73 -2.866 -3.843 -9.402 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.170 -4.054 -9.867 1.00 19.79 C ATOM 1134 CD2 PHE A 73 -2.203 -4.853 -8.696 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -4.810 -5.275 -9.626 1.00 18.68 C ATOM 1136 CE2 PHE A 73 -2.843 -6.075 -8.455 1.00 20.44 C ATOM 1137 CZ PHE A 73 -4.147 -6.286 -8.920 1.00 17.88 C ATOM 0 H PHE A 73 -0.170 -1.383 -10.859 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.385 -3.192 -11.701 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.180 -2.530 -9.218 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -2.730 -1.712 -9.194 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -4.682 -3.274 -10.412 1.00 19.79 H new ATOM 0 HD2 PHE A 73 -1.198 -4.690 -8.337 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -5.816 -5.437 -9.985 1.00 18.68 H new ATOM 0 HE2 PHE A 73 -2.331 -6.855 -7.911 1.00 20.44 H new ATOM 0 HZ PHE A 73 -4.641 -7.228 -8.734 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.420 -0.003 -11.918 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.256 1.164 -12.318 1.00 13.44 C ATOM 1149 C GLY A 74 -3.697 1.934 -11.072 1.00 10.42 C ATOM 1150 O GLY A 74 -4.863 2.229 -10.895 1.00 13.62 O ATOM 0 H GLY A 74 -1.413 0.156 -11.942 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.690 1.819 -12.981 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.129 0.824 -12.875 1.00 13.44 H new ATOM 1154 N SER A 75 -2.777 2.262 -10.206 1.00 12.64 N ATOM 1155 CA SER A 75 -3.150 3.015 -8.973 1.00 12.47 C ATOM 1156 C SER A 75 -1.882 3.474 -8.250 1.00 12.47 C ATOM 1157 O SER A 75 -0.833 2.873 -8.373 1.00 11.32 O ATOM 1158 CB SER A 75 -3.964 2.109 -8.048 1.00 11.21 C ATOM 1159 OG SER A 75 -4.518 1.041 -8.804 1.00 18.27 O ATOM 0 H SER A 75 -1.785 2.042 -10.298 1.00 12.64 H new ATOM 0 HA SER A 75 -3.747 3.885 -9.247 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.329 1.716 -7.254 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.759 2.680 -7.568 1.00 11.21 H new ATOM 0 HG SER A 75 -5.219 1.387 -9.394 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.970 4.535 -7.495 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.771 5.032 -6.763 1.00 12.18 C ATOM 1167 C LEU A 76 -0.580 4.216 -5.484 1.00 12.07 C ATOM 1168 O LEU A 76 -1.527 3.722 -4.905 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.969 6.506 -6.401 1.00 11.99 C ATOM 1170 CG LEU A 76 0.297 7.043 -5.733 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.407 8.549 -5.983 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.230 6.777 -4.226 1.00 7.80 C ATOM 0 H LEU A 76 -2.821 5.079 -7.354 1.00 12.43 H new ATOM 0 HA LEU A 76 0.110 4.928 -7.396 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.193 7.084 -7.297 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.821 6.615 -5.730 1.00 11.99 H new ATOM 0 HG LEU A 76 1.170 6.542 -6.152 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.310 8.932 -5.507 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.455 8.737 -7.056 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.465 9.052 -5.565 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.132 7.159 -3.749 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.643 7.278 -3.807 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.153 5.704 -4.049 1.00 7.80 H new ATOM 1184 N MET A 77 0.637 4.071 -5.037 1.00 14.08 N ATOM 1185 CA MET A 77 0.886 3.288 -3.794 1.00 14.12 C ATOM 1186 C MET A 77 2.202 3.745 -3.162 1.00 11.37 C ATOM 1187 O MET A 77 3.225 3.814 -3.814 1.00 11.44 O ATOM 1188 CB MET A 77 0.975 1.798 -4.134 1.00 16.48 C ATOM 1189 CG MET A 77 0.030 1.479 -5.293 1.00 24.75 C ATOM 1190 SD MET A 77 0.173 -0.273 -5.723 1.00 35.11 S ATOM 1191 CE MET A 77 -1.575 -0.698 -5.525 1.00 33.86 C ATOM 0 H MET A 77 1.470 4.461 -5.479 1.00 14.08 H new ATOM 0 HA MET A 77 0.067 3.450 -3.093 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.998 1.537 -4.403 1.00 16.48 H new ATOM 0 HB3 MET A 77 0.712 1.199 -3.262 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.997 1.713 -5.014 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.275 2.098 -6.157 1.00 24.75 H new ATOM 0 HE1 MET A 77 -1.720 -1.756 -5.745 1.00 33.86 H new ATOM 0 HE2 MET A 77 -1.885 -0.495 -4.500 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.175 -0.099 -6.210 1.00 33.86 H new ATOM 1201 N ILE A 78 2.184 4.057 -1.896 1.00 11.78 N ATOM 1202 CA ILE A 78 3.433 4.509 -1.223 1.00 11.62 C ATOM 1203 C ILE A 78 4.471 3.383 -1.243 1.00 11.45 C ATOM 1204 O ILE A 78 4.157 2.231 -1.018 1.00 12.59 O ATOM 1205 CB ILE A 78 3.134 4.857 0.230 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.116 5.996 0.302 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.428 5.279 0.926 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.887 5.528 1.084 1.00 13.67 C ATOM 0 H ILE A 78 1.358 4.018 -1.299 1.00 11.78 H new ATOM 0 HA ILE A 78 3.818 5.382 -1.750 1.00 11.62 H new ATOM 0 HB ILE A 78 2.718 3.982 0.728 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.560 6.866 0.787 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.826 6.304 -0.703 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.217 5.529 1.966 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.146 4.459 0.888 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.845 6.150 0.421 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.159 6.338 1.137 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.440 4.671 0.580 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.185 5.241 2.093 1.00 13.67 H new ATOM 1220 N ASP A 79 5.708 3.713 -1.482 1.00 10.05 N ATOM 1221 CA ASP A 79 6.780 2.674 -1.483 1.00 14.79 C ATOM 1222 C ASP A 79 7.579 2.808 -0.184 1.00 15.20 C ATOM 1223 O ASP A 79 8.274 1.904 0.237 1.00 18.10 O ATOM 1224 CB ASP A 79 7.705 2.890 -2.684 1.00 12.21 C ATOM 1225 CG ASP A 79 8.166 1.536 -3.224 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.710 0.528 -2.710 1.00 24.06 O ATOM 1227 OD2 ASP A 79 8.968 1.529 -4.144 1.00 21.87 O ATOM 0 H ASP A 79 6.027 4.662 -1.678 1.00 10.05 H new ATOM 0 HA ASP A 79 6.341 1.679 -1.553 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.183 3.445 -3.463 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.567 3.488 -2.389 1.00 12.21 H new ATOM 1232 N ARG A 80 7.462 3.941 0.449 1.00 17.08 N ATOM 1233 CA ARG A 80 8.174 4.201 1.728 1.00 17.14 C ATOM 1234 C ARG A 80 7.958 5.671 2.063 1.00 14.98 C ATOM 1235 O ARG A 80 8.843 6.493 1.941 1.00 16.47 O ATOM 1236 CB ARG A 80 9.669 3.906 1.581 1.00 17.78 C ATOM 1237 CG ARG A 80 10.198 3.281 2.875 1.00 22.76 C ATOM 1238 CD ARG A 80 11.012 4.319 3.651 1.00 28.43 C ATOM 1239 NE ARG A 80 12.409 4.342 3.133 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.203 5.335 3.434 1.00 30.84 C ATOM 1241 NH1 ARG A 80 12.778 6.310 4.192 1.00 33.12 N ATOM 1242 NH2 ARG A 80 14.425 5.352 2.976 1.00 35.04 N ATOM 0 H ARG A 80 6.887 4.718 0.123 1.00 17.08 H new ATOM 0 HA ARG A 80 7.791 3.558 2.520 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.836 3.229 0.743 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.212 4.825 1.361 1.00 17.78 H new ATOM 0 HG2 ARG A 80 9.368 2.925 3.485 1.00 22.76 H new ATOM 0 HG3 ARG A 80 10.819 2.415 2.645 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.558 5.305 3.547 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.011 4.078 4.714 1.00 28.43 H new ATOM 0 HE ARG A 80 12.746 3.581 2.543 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.823 6.298 4.551 1.00 33.12 H new ATOM 0 HH12 ARG A 80 13.401 7.084 4.425 1.00 33.12 H new ATOM 0 HH21 ARG A 80 14.758 4.591 2.384 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.047 6.126 3.210 1.00 35.04 H new ATOM 1256 N LEU A 81 6.758 5.993 2.447 1.00 11.03 N ATOM 1257 CA LEU A 81 6.392 7.399 2.765 1.00 11.27 C ATOM 1258 C LEU A 81 7.572 8.151 3.390 1.00 15.61 C ATOM 1259 O LEU A 81 8.070 7.795 4.440 1.00 18.56 O ATOM 1260 CB LEU A 81 5.177 7.387 3.698 1.00 13.62 C ATOM 1261 CG LEU A 81 5.618 7.424 5.157 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.378 7.493 6.052 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.408 6.148 5.478 1.00 18.72 C ATOM 0 H LEU A 81 5.996 5.324 2.557 1.00 11.03 H new ATOM 0 HA LEU A 81 6.137 7.928 1.847 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.539 8.245 3.484 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.581 6.493 3.516 1.00 13.62 H new ATOM 0 HG LEU A 81 6.247 8.297 5.333 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.685 7.520 7.098 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.810 8.393 5.818 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.755 6.615 5.879 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.726 6.169 6.520 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.776 5.276 5.309 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.284 6.091 4.833 1.00 18.72 H new ATOM 1275 N ARG A 82 8.014 9.198 2.747 1.00 13.37 N ATOM 1276 CA ARG A 82 9.147 9.990 3.293 1.00 12.72 C ATOM 1277 C ARG A 82 8.584 11.065 4.217 1.00 13.33 C ATOM 1278 O ARG A 82 7.940 11.995 3.780 1.00 13.27 O ATOM 1279 CB ARG A 82 9.910 10.652 2.143 1.00 13.85 C ATOM 1280 CG ARG A 82 11.340 10.111 2.098 1.00 16.22 C ATOM 1281 CD ARG A 82 12.088 10.745 0.924 1.00 16.62 C ATOM 1282 NE ARG A 82 13.322 9.961 0.639 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.963 10.132 -0.487 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.527 10.993 -1.367 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.043 9.441 -0.732 1.00 16.89 N ATOM 0 H ARG A 82 7.635 9.538 1.863 1.00 13.37 H new ATOM 0 HA ARG A 82 9.827 9.341 3.844 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.406 10.454 1.197 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.924 11.734 2.277 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.854 10.333 3.033 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.327 9.026 1.992 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.448 10.769 0.042 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.347 11.778 1.159 1.00 16.62 H new ATOM 0 HE ARG A 82 13.668 9.289 1.324 1.00 15.85 H new ATOM 0 HH11 ARG A 82 12.684 11.534 -1.176 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.030 11.124 -2.245 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.385 8.769 -0.045 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.545 9.573 -1.610 1.00 16.89 H new ATOM 1299 N LEU A 83 8.801 10.937 5.491 1.00 13.53 N ATOM 1300 CA LEU A 83 8.254 11.951 6.434 1.00 13.86 C ATOM 1301 C LEU A 83 9.155 13.181 6.477 1.00 13.02 C ATOM 1302 O LEU A 83 10.366 13.089 6.438 1.00 14.40 O ATOM 1303 CB LEU A 83 8.154 11.357 7.836 1.00 9.93 C ATOM 1304 CG LEU A 83 6.741 11.552 8.388 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.758 11.322 9.901 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.265 12.979 8.096 1.00 10.58 C ATOM 0 H LEU A 83 9.330 10.179 5.922 1.00 13.53 H new ATOM 0 HA LEU A 83 7.263 12.244 6.086 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.399 10.295 7.808 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.880 11.834 8.495 1.00 9.93 H new ATOM 0 HG LEU A 83 6.063 10.843 7.913 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.754 11.459 10.301 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.097 10.307 10.111 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.436 12.035 10.370 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.258 13.115 8.491 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.940 13.692 8.570 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.258 13.147 7.019 1.00 10.58 H new ATOM 1318 N VAL A 84 8.558 14.333 6.562 1.00 11.81 N ATOM 1319 CA VAL A 84 9.336 15.591 6.614 1.00 12.86 C ATOM 1320 C VAL A 84 8.594 16.575 7.524 1.00 14.98 C ATOM 1321 O VAL A 84 7.406 16.436 7.731 1.00 13.59 O ATOM 1322 CB VAL A 84 9.427 16.160 5.200 1.00 14.61 C ATOM 1323 CG1 VAL A 84 10.261 15.225 4.323 1.00 17.65 C ATOM 1324 CG2 VAL A 84 8.018 16.289 4.614 1.00 17.34 C ATOM 0 H VAL A 84 7.546 14.455 6.598 1.00 11.81 H new ATOM 0 HA VAL A 84 10.340 15.417 7.002 1.00 12.86 H new ATOM 0 HB VAL A 84 9.901 17.141 5.233 1.00 14.61 H new ATOM 0 HG11 VAL A 84 10.325 15.633 3.314 1.00 17.65 H new ATOM 0 HG12 VAL A 84 11.263 15.132 4.741 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.790 14.243 4.288 1.00 17.65 H new ATOM 0 HG21 VAL A 84 8.080 16.695 3.604 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.546 15.307 4.582 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.424 16.957 5.238 1.00 17.34 H new ATOM 1334 N PRO A 85 9.301 17.550 8.026 1.00 18.65 N ATOM 1335 CA PRO A 85 8.709 18.578 8.898 1.00 22.41 C ATOM 1336 C PRO A 85 7.667 19.397 8.121 1.00 25.70 C ATOM 1337 O PRO A 85 7.838 19.687 6.953 1.00 22.08 O ATOM 1338 CB PRO A 85 9.908 19.416 9.346 1.00 21.19 C ATOM 1339 CG PRO A 85 11.018 19.141 8.319 1.00 18.95 C ATOM 1340 CD PRO A 85 10.736 17.734 7.765 1.00 20.63 C ATOM 0 HA PRO A 85 8.170 18.171 9.754 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.655 20.476 9.375 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.227 19.137 10.350 1.00 21.19 H new ATOM 0 HG2 PRO A 85 11.007 19.885 7.522 1.00 18.95 H new ATOM 0 HG3 PRO A 85 12.002 19.188 8.785 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.963 17.667 6.701 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.337 16.976 8.267 1.00 20.63 H new ATOM 1348 N ALA A 86 6.579 19.755 8.754 1.00 31.74 N ATOM 1349 CA ALA A 86 5.516 20.532 8.049 1.00 39.94 C ATOM 1350 C ALA A 86 6.040 21.930 7.717 1.00 46.96 C ATOM 1351 O ALA A 86 6.451 22.673 8.586 1.00 49.29 O ATOM 1352 CB ALA A 86 4.285 20.646 8.954 1.00 39.70 C ATOM 0 H ALA A 86 6.381 19.542 9.732 1.00 31.74 H new ATOM 0 HA ALA A 86 5.242 20.021 7.126 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.508 21.213 8.441 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.912 19.649 9.188 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.558 21.157 9.877 1.00 39.70 H new ATOM 1358 N LYS A 87 6.032 22.294 6.464 1.00 51.78 N ATOM 1359 CA LYS A 87 6.531 23.644 6.075 1.00 55.12 C ATOM 1360 C LYS A 87 5.742 24.716 6.829 1.00 55.82 C ATOM 1361 O LYS A 87 6.351 25.687 7.246 1.00 58.05 O ATOM 1362 CB LYS A 87 6.349 23.843 4.567 1.00 52.96 C ATOM 1363 CG LYS A 87 7.716 24.005 3.899 1.00 55.49 C ATOM 1364 CD LYS A 87 8.203 22.645 3.396 1.00 56.64 C ATOM 1365 CE LYS A 87 9.729 22.657 3.283 1.00 58.91 C ATOM 1366 NZ LYS A 87 10.165 21.597 2.331 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.543 24.547 6.977 1.00 57.66 O ATOM 0 H LYS A 87 5.701 21.715 5.692 1.00 51.78 H new ATOM 0 HA LYS A 87 7.588 23.726 6.327 1.00 55.12 H new ATOM 0 HB2 LYS A 87 5.823 22.990 4.139 1.00 52.96 H new ATOM 0 HB3 LYS A 87 5.735 24.723 4.378 1.00 52.96 H new ATOM 0 HG2 LYS A 87 7.646 24.708 3.069 1.00 55.49 H new ATOM 0 HG3 LYS A 87 8.432 24.420 4.608 1.00 55.49 H new ATOM 0 HD2 LYS A 87 7.885 21.858 4.080 1.00 56.64 H new ATOM 0 HD3 LYS A 87 7.758 22.424 2.426 1.00 56.64 H new ATOM 0 HE2 LYS A 87 10.071 23.633 2.939 1.00 58.91 H new ATOM 0 HE3 LYS A 87 10.178 22.489 4.262 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 11.202 21.605 2.254 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 9.851 20.668 2.678 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 9.747 21.777 1.396 1.00 58.16 H new ATOM 1382 N MET B 1 1.818 16.694 -2.577 1.00 42.32 N ATOM 1383 CA MET B 1 0.521 16.970 -3.255 1.00 40.89 C ATOM 1384 C MET B 1 0.167 15.799 -4.173 1.00 34.75 C ATOM 1385 O MET B 1 -0.968 15.372 -4.242 1.00 33.97 O ATOM 1386 CB MET B 1 0.643 18.255 -4.088 1.00 48.45 C ATOM 1387 CG MET B 1 -0.461 18.301 -5.155 1.00 56.13 C ATOM 1388 SD MET B 1 -1.001 20.013 -5.390 1.00 64.91 S ATOM 1389 CE MET B 1 -2.247 20.040 -4.078 1.00 63.43 C ATOM 0 H1 MET B 1 2.010 17.440 -1.878 1.00 42.32 H new ATOM 0 H2 MET B 1 1.769 15.773 -2.096 1.00 42.32 H new ATOM 0 H3 MET B 1 2.582 16.676 -3.283 1.00 42.32 H new ATOM 0 HA MET B 1 -0.262 17.095 -2.507 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.568 19.127 -3.438 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.622 18.296 -4.565 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.090 17.893 -6.095 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.304 17.681 -4.849 1.00 56.13 H new ATOM 0 HE1 MET B 1 -2.860 20.936 -4.177 1.00 63.43 H new ATOM 0 HE2 MET B 1 -2.880 19.156 -4.159 1.00 63.43 H new ATOM 0 HE3 MET B 1 -1.752 20.045 -3.107 1.00 63.43 H new ATOM 1401 N ILE B 2 1.126 15.292 -4.896 1.00 28.59 N ATOM 1402 CA ILE B 2 0.833 14.169 -5.825 1.00 24.58 C ATOM 1403 C ILE B 2 -0.022 14.718 -6.964 1.00 19.29 C ATOM 1404 O ILE B 2 -1.175 14.370 -7.127 1.00 19.53 O ATOM 1405 CB ILE B 2 0.077 13.065 -5.090 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.666 12.875 -3.692 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.220 11.761 -5.867 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.429 12.391 -2.746 1.00 33.80 C ATOM 0 H ILE B 2 2.096 15.606 -4.883 1.00 28.59 H new ATOM 0 HA ILE B 2 1.759 13.746 -6.214 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.974 13.342 -5.007 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.481 12.152 -3.723 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.086 13.814 -3.331 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.318 10.967 -5.348 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.195 11.886 -6.867 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.275 11.496 -5.942 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.013 12.254 -1.748 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.229 13.130 -2.708 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.828 11.443 -3.106 1.00 33.80 H new ATOM 1420 N LYS B 3 0.542 15.608 -7.728 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.209 16.245 -8.847 1.00 16.66 C ATOM 1422 C LYS B 3 -0.792 15.198 -9.788 1.00 14.94 C ATOM 1423 O LYS B 3 -0.394 14.051 -9.795 1.00 13.94 O ATOM 1424 CB LYS B 3 0.728 17.169 -9.627 1.00 16.94 C ATOM 1425 CG LYS B 3 0.745 18.551 -8.969 1.00 17.85 C ATOM 1426 CD LYS B 3 1.961 19.338 -9.462 1.00 19.63 C ATOM 1427 CE LYS B 3 1.601 20.822 -9.565 1.00 26.28 C ATOM 1428 NZ LYS B 3 2.848 21.630 -9.675 1.00 32.72 N ATOM 0 H LYS B 3 1.505 15.927 -7.625 1.00 18.14 H new ATOM 0 HA LYS B 3 -1.033 16.819 -8.424 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.735 16.751 -9.647 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.397 17.251 -10.662 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.172 19.090 -9.208 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.781 18.448 -7.884 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.798 19.203 -8.776 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.281 18.962 -10.434 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.966 20.994 -10.434 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.031 21.131 -8.688 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 2.603 22.638 -9.745 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 3.438 21.475 -8.833 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 3.375 21.342 -10.524 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.750 15.603 -10.578 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.399 14.663 -11.526 1.00 12.99 C ATOM 1444 C VAL B 4 -3.099 15.454 -12.636 1.00 14.26 C ATOM 1445 O VAL B 4 -3.273 16.654 -12.548 1.00 13.80 O ATOM 1446 CB VAL B 4 -3.434 13.826 -10.770 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -4.104 12.833 -11.721 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.757 13.067 -9.626 1.00 10.41 C ATOM 0 H VAL B 4 -2.112 16.556 -10.604 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.646 14.011 -11.968 1.00 12.99 H new ATOM 0 HB VAL B 4 -4.192 14.493 -10.360 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.838 12.243 -11.173 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.602 13.377 -12.524 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.350 12.170 -12.145 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.500 12.474 -9.093 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.989 12.408 -10.031 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -2.299 13.778 -8.938 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.498 14.781 -13.678 1.00 9.27 N ATOM 1459 CA GLU B 5 -4.186 15.463 -14.811 1.00 10.51 C ATOM 1460 C GLU B 5 -5.109 14.472 -15.501 1.00 10.00 C ATOM 1461 O GLU B 5 -4.677 13.592 -16.216 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.146 15.968 -15.807 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.535 17.257 -15.271 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.380 17.694 -16.174 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.537 16.863 -16.468 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -1.359 18.852 -16.557 1.00 19.38 O ATOM 0 H GLU B 5 -3.376 13.775 -13.795 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.766 16.306 -14.436 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.371 15.217 -15.956 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.609 16.145 -16.778 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.292 18.040 -15.228 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -2.176 17.105 -14.253 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.382 14.612 -15.298 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.331 13.675 -15.961 1.00 10.60 C ATOM 1475 C ILE B 6 -7.421 14.057 -17.447 1.00 10.16 C ATOM 1476 O ILE B 6 -8.090 15.001 -17.818 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.711 13.742 -15.267 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.767 12.674 -14.172 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.836 13.469 -16.264 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.423 13.297 -12.820 1.00 13.81 C ATOM 0 H ILE B 6 -6.808 15.326 -14.708 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.980 12.646 -15.880 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.841 14.740 -14.848 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.762 12.230 -14.135 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -8.068 11.870 -14.400 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.797 13.522 -15.752 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.807 14.215 -17.059 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.708 12.476 -16.694 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.465 12.531 -12.045 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.419 13.719 -12.859 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.140 14.085 -12.590 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.736 13.329 -18.295 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.755 13.639 -19.750 1.00 11.59 C ATOM 1494 C LYS B 7 -8.193 13.898 -20.207 1.00 12.98 C ATOM 1495 O LYS B 7 -9.127 13.680 -19.461 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.167 12.444 -20.507 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.710 12.729 -20.898 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.970 13.430 -19.752 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.573 14.840 -20.189 1.00 19.19 C ATOM 1500 NZ LYS B 7 -4.458 15.839 -19.527 1.00 25.43 N ATOM 0 H LYS B 7 -6.161 12.528 -18.035 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.163 14.532 -19.952 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.216 11.550 -19.885 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.758 12.243 -21.400 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.205 11.795 -21.146 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.683 13.353 -21.791 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.607 13.477 -18.869 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.083 12.860 -19.475 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.532 15.032 -19.928 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.652 14.931 -21.272 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -3.884 16.633 -19.177 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -5.156 16.192 -20.212 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.952 15.390 -18.729 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.328 14.358 -21.427 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.644 14.659 -22.016 1.00 11.93 C ATOM 1516 C PRO B 8 -10.361 13.365 -22.392 1.00 10.20 C ATOM 1517 O PRO B 8 -11.573 13.289 -22.394 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.303 15.494 -23.255 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.836 15.160 -23.615 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.185 14.613 -22.331 1.00 13.61 C ATOM 0 HA PRO B 8 -10.314 15.185 -21.337 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.971 15.253 -24.082 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.420 16.558 -23.051 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.791 14.423 -24.417 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.311 16.048 -23.968 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.621 13.701 -22.527 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.488 15.332 -21.900 1.00 13.61 H new ATOM 1528 N SER B 9 -9.616 12.344 -22.694 1.00 10.65 N ATOM 1529 CA SER B 9 -10.245 11.044 -23.054 1.00 10.83 C ATOM 1530 C SER B 9 -10.366 10.180 -21.796 1.00 10.94 C ATOM 1531 O SER B 9 -10.783 9.040 -21.851 1.00 13.16 O ATOM 1532 CB SER B 9 -9.381 10.323 -24.089 1.00 13.01 C ATOM 1533 OG SER B 9 -9.595 10.908 -25.367 1.00 15.52 O ATOM 0 H SER B 9 -8.596 12.351 -22.708 1.00 10.65 H new ATOM 0 HA SER B 9 -11.235 11.221 -23.475 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.328 10.395 -23.815 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.632 9.263 -24.115 1.00 13.01 H new ATOM 0 HG SER B 9 -9.042 10.450 -26.033 1.00 15.52 H new ATOM 1539 N GLN B 10 -10.005 10.716 -20.660 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.099 9.931 -19.399 1.00 11.55 C ATOM 1541 C GLN B 10 -11.016 10.659 -18.416 1.00 13.72 C ATOM 1542 O GLN B 10 -10.803 10.631 -17.222 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.712 9.791 -18.776 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.672 9.654 -19.883 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.780 8.268 -20.521 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.432 7.391 -19.990 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.164 8.033 -21.647 1.00 4.80 N ATOM 0 H GLN B 10 -9.649 11.666 -20.553 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.502 8.943 -19.620 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.489 10.661 -18.158 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.681 8.919 -18.122 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.826 10.426 -20.637 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.672 9.801 -19.476 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.617 8.770 -22.092 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.230 7.113 -22.082 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.027 11.324 -18.907 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.941 12.064 -17.990 1.00 18.95 C ATOM 1558 C ALA B 11 -14.283 11.335 -17.876 1.00 20.75 C ATOM 1559 O ALA B 11 -15.273 11.907 -17.465 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.174 13.473 -18.537 1.00 17.72 C ATOM 0 H ALA B 11 -12.259 11.387 -19.898 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.484 12.120 -17.002 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.842 14.017 -17.869 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.222 13.999 -18.605 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.625 13.409 -19.527 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.329 10.081 -18.230 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.611 9.331 -18.130 1.00 25.43 C ATOM 1568 C GLN B 12 -15.353 7.939 -17.563 1.00 22.80 C ATOM 1569 O GLN B 12 -14.490 7.218 -18.022 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.240 9.210 -19.512 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.169 10.396 -19.729 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.993 10.182 -21.001 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -19.055 9.595 -20.959 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -17.544 10.638 -22.139 1.00 47.90 N ATOM 0 H GLN B 12 -13.537 9.545 -18.583 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.290 9.868 -17.467 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.466 9.190 -20.279 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.794 8.275 -19.595 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.831 10.513 -18.871 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.588 11.315 -19.811 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -16.652 11.131 -22.174 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -18.085 10.501 -22.993 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.092 7.559 -16.560 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.886 6.220 -15.955 1.00 20.51 C ATOM 1585 C PHE B 13 -16.515 5.135 -16.828 1.00 18.83 C ATOM 1586 O PHE B 13 -17.013 5.392 -17.906 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.514 6.180 -14.559 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.936 6.719 -14.586 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.627 6.897 -15.797 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.567 7.036 -13.376 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.936 7.388 -15.789 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.875 7.525 -13.372 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.558 7.700 -14.577 1.00 18.48 C ATOM 0 H PHE B 13 -16.830 8.120 -16.134 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.815 6.035 -15.880 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.516 5.156 -14.187 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.911 6.769 -13.868 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.147 6.655 -16.734 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -18.040 6.902 -12.443 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.467 7.526 -16.719 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -20.358 7.768 -12.437 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.570 8.078 -14.573 1.00 18.48 H new ATOM 1603 N THR B 14 -16.503 3.925 -16.356 1.00 14.89 N ATOM 1604 CA THR B 14 -17.110 2.812 -17.131 1.00 13.37 C ATOM 1605 C THR B 14 -17.438 1.669 -16.174 1.00 11.97 C ATOM 1606 O THR B 14 -16.737 1.432 -15.211 1.00 10.76 O ATOM 1607 CB THR B 14 -16.136 2.325 -18.206 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.751 3.419 -19.027 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.817 1.258 -19.062 1.00 9.24 C ATOM 0 H THR B 14 -16.096 3.656 -15.460 1.00 14.89 H new ATOM 0 HA THR B 14 -18.020 3.161 -17.620 1.00 13.37 H new ATOM 0 HB THR B 14 -15.252 1.900 -17.731 1.00 13.68 H new ATOM 0 HG1 THR B 14 -16.409 4.140 -18.941 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.125 0.910 -19.828 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.112 0.419 -18.431 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.701 1.683 -19.538 1.00 9.24 H new ATOM 1617 N THR B 15 -18.503 0.964 -16.424 1.00 13.20 N ATOM 1618 CA THR B 15 -18.879 -0.156 -15.518 1.00 12.54 C ATOM 1619 C THR B 15 -18.092 -1.411 -15.901 1.00 14.34 C ATOM 1620 O THR B 15 -18.232 -1.938 -16.987 1.00 17.35 O ATOM 1621 CB THR B 15 -20.378 -0.436 -15.646 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.015 0.678 -16.257 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.976 -0.671 -14.259 1.00 8.30 C ATOM 0 H THR B 15 -19.129 1.114 -17.215 1.00 13.20 H new ATOM 0 HA THR B 15 -18.647 0.118 -14.489 1.00 12.54 H new ATOM 0 HB THR B 15 -20.531 -1.324 -16.259 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.975 0.500 -16.342 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.044 -0.870 -14.352 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.487 -1.526 -13.792 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.825 0.215 -13.643 1.00 8.30 H new ATOM 1816 N LEU B 28 -17.961 -1.349 -10.141 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.243 0.109 -10.021 1.00 16.31 C ATOM 1818 C LEU B 28 -17.735 0.846 -11.259 1.00 14.21 C ATOM 1819 O LEU B 28 -17.079 0.279 -12.111 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.539 0.653 -8.778 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.581 1.097 -7.751 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.671 0.057 -6.633 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -18.169 2.448 -7.161 1.00 22.01 C ATOM 0 HA LEU B 28 -19.319 0.263 -9.936 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.894 -0.113 -8.348 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.899 1.493 -9.048 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.553 1.193 -8.235 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -19.414 0.373 -5.901 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.963 -0.905 -7.054 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.700 -0.039 -6.147 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -18.911 2.766 -6.428 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -17.198 2.352 -6.676 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -18.105 3.189 -7.958 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.028 2.114 -11.358 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.555 2.901 -12.538 1.00 9.77 C ATOM 1837 C ASN B 29 -16.055 3.168 -12.382 1.00 7.94 C ATOM 1838 O ASN B 29 -15.638 3.914 -11.521 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.289 4.250 -12.646 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.474 4.313 -11.679 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.256 3.386 -11.596 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.641 5.377 -10.940 1.00 12.89 N ATOM 0 H ASN B 29 -18.573 2.640 -10.675 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.760 2.325 -13.440 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.596 5.063 -12.430 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.641 4.395 -13.667 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.428 5.430 -10.293 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.985 6.155 -11.010 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.240 2.567 -13.203 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.769 2.798 -13.096 1.00 13.16 C ATOM 1851 C GLU B 30 -13.414 4.092 -13.831 1.00 12.26 C ATOM 1852 O GLU B 30 -14.281 4.819 -14.271 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.020 1.626 -13.733 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.895 0.488 -12.717 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.654 0.712 -11.850 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -10.628 1.073 -12.401 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -11.752 0.517 -10.650 1.00 40.03 O ATOM 0 H GLU B 30 -15.527 1.926 -13.943 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.483 2.879 -12.047 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.551 1.280 -14.620 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.031 1.947 -14.059 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -13.786 0.446 -12.091 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -12.823 -0.469 -13.234 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.151 4.388 -13.972 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.759 5.640 -14.686 1.00 9.46 C ATOM 1866 C GLN B 31 -10.247 5.667 -14.919 1.00 10.09 C ATOM 1867 O GLN B 31 -9.529 4.763 -14.541 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.154 6.860 -13.848 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.584 7.999 -14.777 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.545 9.122 -14.725 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.411 8.898 -14.352 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.886 10.330 -15.085 1.00 12.39 N ATOM 0 H GLN B 31 -11.376 3.822 -13.626 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.274 5.667 -15.646 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.968 6.601 -13.171 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.314 7.178 -13.230 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.686 7.631 -15.798 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.560 8.379 -14.476 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.838 10.519 -15.398 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.200 11.084 -15.053 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.763 6.711 -15.538 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.301 6.824 -15.801 1.00 10.34 C ATOM 1883 C LEU B 32 -7.861 8.275 -15.582 1.00 9.02 C ATOM 1884 O LEU B 32 -8.613 9.202 -15.806 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.009 6.413 -17.246 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.417 4.954 -17.454 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.307 4.844 -18.695 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.163 4.098 -17.647 1.00 15.89 C ATOM 0 H LEU B 32 -10.323 7.495 -15.874 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.754 6.169 -15.122 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.555 7.056 -17.936 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.949 6.540 -17.464 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.967 4.602 -16.581 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.598 3.804 -18.843 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.200 5.454 -18.558 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -8.758 5.195 -19.569 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.452 3.058 -17.795 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.613 4.450 -18.520 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.530 4.176 -16.763 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.646 8.478 -15.149 1.00 9.68 N ATOM 1901 CA CYS B 33 -6.147 9.862 -14.917 1.00 8.10 C ATOM 1902 C CYS B 33 -4.637 9.853 -15.112 1.00 6.34 C ATOM 1903 O CYS B 33 -4.060 8.837 -15.428 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.472 10.317 -13.488 1.00 8.88 C ATOM 1905 SG CYS B 33 -8.047 9.604 -12.952 1.00 13.84 S ATOM 0 H CYS B 33 -5.974 7.738 -14.945 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.626 10.550 -15.614 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.675 10.010 -12.810 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.524 11.405 -13.447 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.824 9.444 -13.982 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.988 10.962 -14.924 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.513 10.981 -15.107 1.00 7.08 C ATOM 1913 C TYR B 34 -1.858 11.588 -13.867 1.00 7.71 C ATOM 1914 O TYR B 34 -1.926 12.780 -13.642 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.169 11.825 -16.326 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.343 11.005 -17.584 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -1.270 10.262 -18.091 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -3.570 11.010 -18.255 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -1.422 9.528 -19.267 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -3.722 10.276 -19.435 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.646 9.536 -19.940 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.796 8.812 -21.105 1.00 21.14 O ATOM 0 H TYR B 34 -4.409 11.851 -14.654 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.147 9.964 -15.252 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.811 12.705 -16.363 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.142 12.183 -16.254 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.324 10.257 -17.571 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -4.399 11.580 -17.862 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -0.594 8.954 -19.657 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -4.668 10.280 -19.956 1.00 16.38 H new ATOM 0 HH TYR B 34 -3.708 8.925 -21.445 1.00 21.14 H new ATOM 1932 N VAL B 35 -1.236 10.782 -13.051 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.602 11.331 -11.823 1.00 10.66 C ATOM 1934 C VAL B 35 0.894 11.555 -12.028 1.00 10.57 C ATOM 1935 O VAL B 35 1.582 10.765 -12.643 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.807 10.371 -10.655 1.00 10.22 C ATOM 1937 CG1 VAL B 35 -0.020 10.882 -9.445 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -2.296 10.310 -10.307 1.00 9.86 C ATOM 0 H VAL B 35 -1.140 9.775 -13.181 1.00 9.44 H new ATOM 0 HA VAL B 35 -1.074 12.289 -11.604 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.457 9.375 -10.927 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.161 10.201 -8.605 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.039 10.934 -9.696 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.377 11.875 -9.171 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.447 9.625 -9.473 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.645 11.304 -10.028 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.858 9.957 -11.172 1.00 9.86 H new ATOM 1948 N ASP B 36 1.398 12.628 -11.486 1.00 8.58 N ATOM 1949 CA ASP B 36 2.842 12.928 -11.598 1.00 11.48 C ATOM 1950 C ASP B 36 3.466 12.775 -10.211 1.00 12.38 C ATOM 1951 O ASP B 36 4.357 13.507 -9.828 1.00 11.89 O ATOM 1952 CB ASP B 36 3.037 14.361 -12.097 1.00 16.17 C ATOM 1953 CG ASP B 36 2.415 14.509 -13.486 1.00 17.97 C ATOM 1954 OD1 ASP B 36 1.557 13.707 -13.818 1.00 15.67 O ATOM 1955 OD2 ASP B 36 2.806 15.422 -14.195 1.00 25.89 O ATOM 0 H ASP B 36 0.857 13.317 -10.963 1.00 8.58 H new ATOM 0 HA ASP B 36 3.316 12.246 -12.304 1.00 11.48 H new ATOM 0 HB2 ASP B 36 2.575 15.064 -11.404 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.099 14.602 -12.135 1.00 16.17 H new ATOM 1960 N LEU B 37 2.984 11.826 -9.452 1.00 13.17 N ATOM 1961 CA LEU B 37 3.516 11.606 -8.077 1.00 18.47 C ATOM 1962 C LEU B 37 5.038 11.748 -8.069 1.00 21.14 C ATOM 1963 O LEU B 37 5.634 12.071 -7.062 1.00 24.24 O ATOM 1964 CB LEU B 37 3.126 10.203 -7.601 1.00 15.81 C ATOM 1965 CG LEU B 37 3.866 9.148 -8.425 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.572 7.759 -7.854 1.00 14.72 C ATOM 1967 CD2 LEU B 37 3.392 9.210 -9.882 1.00 20.01 C ATOM 0 H LEU B 37 2.238 11.189 -9.730 1.00 13.17 H new ATOM 0 HA LEU B 37 3.091 12.353 -7.406 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.369 10.088 -6.545 1.00 15.81 H new ATOM 0 HB3 LEU B 37 2.049 10.063 -7.698 1.00 15.81 H new ATOM 0 HG LEU B 37 4.938 9.341 -8.383 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.099 7.006 -8.440 1.00 14.72 H new ATOM 0 HD12 LEU B 37 3.908 7.713 -6.818 1.00 14.72 H new ATOM 0 HD13 LEU B 37 2.500 7.568 -7.897 1.00 14.72 H new ATOM 0 HD21 LEU B 37 3.920 8.458 -10.469 1.00 20.01 H new ATOM 0 HD22 LEU B 37 2.320 9.017 -9.924 1.00 20.01 H new ATOM 0 HD23 LEU B 37 3.599 10.199 -10.290 1.00 20.01 H new ATOM 1979 N GLY B 38 5.673 11.513 -9.179 1.00 20.70 N ATOM 1980 CA GLY B 38 7.146 11.636 -9.228 1.00 23.91 C ATOM 1981 C GLY B 38 7.634 11.227 -10.619 1.00 26.50 C ATOM 1982 O GLY B 38 8.564 10.459 -10.764 1.00 31.02 O ATOM 0 H GLY B 38 5.230 11.240 -10.057 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.446 12.661 -9.010 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.602 11.002 -8.468 1.00 23.91 H new ATOM 1986 N ASN B 39 7.005 11.738 -11.643 1.00 27.64 N ATOM 1987 CA ASN B 39 7.409 11.396 -13.027 1.00 30.27 C ATOM 1988 C ASN B 39 7.106 12.587 -13.936 1.00 26.79 C ATOM 1989 O ASN B 39 5.962 12.902 -14.195 1.00 26.87 O ATOM 1990 CB ASN B 39 6.620 10.174 -13.511 1.00 35.62 C ATOM 1991 CG ASN B 39 6.815 9.009 -12.538 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.925 8.703 -12.153 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.772 8.339 -12.125 1.00 39.63 N ATOM 0 H ASN B 39 6.220 12.385 -11.573 1.00 27.64 H new ATOM 0 HA ASN B 39 8.474 11.166 -13.053 1.00 30.27 H new ATOM 0 HB2 ASN B 39 5.561 10.421 -13.588 1.00 35.62 H new ATOM 0 HB3 ASN B 39 6.954 9.886 -14.508 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.890 7.559 -11.479 1.00 39.63 H new ATOM 0 HD22 ASN B 39 4.840 8.596 -12.449 1.00 39.63 H new ATOM 2000 N GLU B 40 8.128 13.253 -14.404 1.00 25.15 N ATOM 2001 CA GLU B 40 7.935 14.438 -15.294 1.00 23.81 C ATOM 2002 C GLU B 40 6.713 14.235 -16.181 1.00 21.12 C ATOM 2003 O GLU B 40 5.785 15.020 -16.179 1.00 19.86 O ATOM 2004 CB GLU B 40 9.173 14.620 -16.175 1.00 27.22 C ATOM 2005 CG GLU B 40 10.273 15.321 -15.377 1.00 34.87 C ATOM 2006 CD GLU B 40 11.581 15.285 -16.171 1.00 38.97 C ATOM 2007 OE1 GLU B 40 11.674 16.003 -17.153 1.00 39.54 O ATOM 2008 OE2 GLU B 40 12.466 14.540 -15.783 1.00 42.34 O ATOM 0 H GLU B 40 9.102 13.024 -14.205 1.00 25.15 H new ATOM 0 HA GLU B 40 7.786 15.324 -14.677 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.527 13.651 -16.527 1.00 27.22 H new ATOM 0 HB3 GLU B 40 8.920 15.207 -17.058 1.00 27.22 H new ATOM 0 HG2 GLU B 40 9.987 16.353 -15.173 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.407 14.830 -14.413 1.00 34.87 H new ATOM 2015 N HIS B 41 6.707 13.178 -16.926 1.00 4.82 N ATOM 2016 CA HIS B 41 5.545 12.894 -17.814 1.00 4.41 C ATOM 2017 C HIS B 41 4.372 12.429 -16.952 1.00 3.39 C ATOM 2018 O HIS B 41 4.565 12.005 -15.831 1.00 2.52 O ATOM 2019 CB HIS B 41 5.915 11.789 -18.807 1.00 4.81 C ATOM 2020 CG HIS B 41 7.260 12.084 -19.411 1.00 4.35 C ATOM 2021 ND1 HIS B 41 7.498 13.221 -20.167 1.00 4.61 N ATOM 2022 CD2 HIS B 41 8.449 11.398 -19.382 1.00 5.15 C ATOM 2023 CE1 HIS B 41 8.785 13.186 -20.559 1.00 5.81 C ATOM 2024 NE2 HIS B 41 9.411 12.096 -20.107 1.00 6.56 N ATOM 0 H HIS B 41 7.459 12.490 -16.963 1.00 4.82 H new ATOM 0 HA HIS B 41 5.271 13.794 -18.365 1.00 4.41 H new ATOM 0 HB2 HIS B 41 5.936 10.824 -18.301 1.00 4.81 H new ATOM 0 HB3 HIS B 41 5.160 11.722 -19.590 1.00 4.81 H new ATOM 0 HD2 HIS B 41 8.613 10.459 -18.874 1.00 5.15 H new ATOM 0 HE1 HIS B 41 9.254 13.947 -21.165 1.00 5.81 H new ATOM 0 HE2 HIS B 41 10.384 11.832 -20.260 1.00 6.56 H new ATOM 2032 N PRO B 42 3.189 12.517 -17.497 1.00 15.11 N ATOM 2033 CA PRO B 42 1.970 12.104 -16.788 1.00 16.08 C ATOM 2034 C PRO B 42 1.852 10.584 -16.804 1.00 17.92 C ATOM 2035 O PRO B 42 2.144 9.940 -17.792 1.00 17.13 O ATOM 2036 CB PRO B 42 0.845 12.742 -17.600 1.00 16.41 C ATOM 2037 CG PRO B 42 1.415 12.990 -19.012 1.00 13.79 C ATOM 2038 CD PRO B 42 2.951 13.028 -18.863 1.00 16.28 C ATOM 0 HA PRO B 42 1.954 12.408 -15.741 1.00 16.08 H new ATOM 0 HB2 PRO B 42 -0.024 12.086 -17.642 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.518 13.676 -17.143 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.111 12.199 -19.698 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.041 13.928 -19.422 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.440 12.407 -19.613 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.339 14.039 -18.984 1.00 16.28 H new ATOM 2046 N VAL B 43 1.426 10.001 -15.722 1.00 16.29 N ATOM 2047 CA VAL B 43 1.293 8.524 -15.691 1.00 14.28 C ATOM 2048 C VAL B 43 -0.183 8.144 -15.698 1.00 9.00 C ATOM 2049 O VAL B 43 -0.914 8.419 -14.769 1.00 7.99 O ATOM 2050 CB VAL B 43 1.969 7.971 -14.436 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.333 8.638 -14.255 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.097 8.251 -13.209 1.00 20.57 C ATOM 0 H VAL B 43 1.165 10.482 -14.861 1.00 16.29 H new ATOM 0 HA VAL B 43 1.776 8.098 -16.571 1.00 14.28 H new ATOM 0 HB VAL B 43 2.100 6.894 -14.545 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.815 8.244 -13.360 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.957 8.431 -15.124 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.200 9.715 -14.151 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.584 7.854 -12.318 1.00 20.57 H new ATOM 0 HG22 VAL B 43 0.959 9.327 -13.099 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.126 7.772 -13.335 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.625 7.512 -16.744 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.052 7.119 -16.819 1.00 11.55 C ATOM 2064 C LEU B 44 -2.339 6.037 -15.780 1.00 10.61 C ATOM 2065 O LEU B 44 -1.943 4.897 -15.924 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.364 6.592 -18.214 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.815 6.129 -18.264 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.734 7.291 -17.876 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.151 5.663 -19.683 1.00 20.21 C ATOM 0 H LEU B 44 -0.058 7.251 -17.551 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.679 7.987 -16.616 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.193 7.372 -18.956 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.698 5.765 -18.461 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.959 5.304 -17.567 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.772 6.961 -17.911 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.493 7.624 -16.866 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.592 8.116 -18.574 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.189 5.331 -19.721 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.008 6.488 -20.380 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.496 4.837 -19.959 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.028 6.390 -14.734 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.350 5.391 -13.677 1.00 9.29 C ATOM 2083 C VAL B 45 -4.849 5.096 -13.710 1.00 9.95 C ATOM 2084 O VAL B 45 -5.610 5.766 -14.380 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.924 5.943 -12.311 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.850 5.435 -11.195 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.491 5.487 -12.019 1.00 10.20 C ATOM 0 H VAL B 45 -3.384 7.331 -14.563 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.809 4.461 -13.854 1.00 9.29 H new ATOM 0 HB VAL B 45 -2.985 7.031 -12.340 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.524 5.842 -10.238 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.872 5.755 -11.396 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.812 4.346 -11.158 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.177 5.874 -11.050 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.451 4.398 -12.006 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -0.824 5.865 -12.794 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.277 4.090 -13.002 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.723 3.746 -13.008 1.00 12.81 C ATOM 2099 C LYS B 46 -7.442 4.444 -11.850 1.00 13.35 C ATOM 2100 O LYS B 46 -6.831 4.901 -10.905 1.00 12.90 O ATOM 2101 CB LYS B 46 -6.886 2.230 -12.870 1.00 17.04 C ATOM 2102 CG LYS B 46 -7.890 1.719 -13.907 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.396 0.391 -14.484 1.00 33.77 C ATOM 2104 CE LYS B 46 -6.667 0.646 -15.805 1.00 34.48 C ATOM 2105 NZ LYS B 46 -6.141 -0.642 -16.338 1.00 36.74 N ATOM 0 H LYS B 46 -4.689 3.493 -12.421 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.162 4.081 -13.948 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -5.924 1.738 -13.009 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.229 1.982 -11.866 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -8.869 1.586 -13.446 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.010 2.452 -14.705 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -6.727 -0.098 -13.776 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -8.238 -0.283 -14.645 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.347 1.100 -16.526 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -5.849 1.350 -15.651 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -5.645 -0.470 -17.236 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -5.479 -1.057 -15.652 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -6.931 -1.299 -16.499 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.745 4.518 -11.922 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.530 5.172 -10.840 1.00 16.93 C ATOM 2121 C ILE B 47 -10.783 4.329 -10.567 1.00 16.52 C ATOM 2122 O ILE B 47 -11.152 3.476 -11.350 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.910 6.605 -11.280 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.018 7.607 -10.549 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -11.376 6.921 -10.946 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -9.375 7.607 -9.063 1.00 18.26 C ATOM 0 H ILE B 47 -9.302 4.149 -12.693 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.943 5.240 -9.924 1.00 16.93 H new ATOM 0 HB ILE B 47 -9.773 6.677 -12.359 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -7.969 7.344 -10.683 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.152 8.604 -10.968 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -11.612 7.935 -11.268 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -12.027 6.216 -11.463 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.530 6.836 -9.870 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -8.741 8.321 -8.537 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -10.420 7.890 -8.940 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -9.219 6.610 -8.651 1.00 18.26 H new ATOM 2138 N THR B 48 -11.441 4.566 -9.465 1.00 16.86 N ATOM 2139 CA THR B 48 -12.667 3.784 -9.149 1.00 16.59 C ATOM 2140 C THR B 48 -13.834 4.745 -8.908 1.00 19.04 C ATOM 2141 O THR B 48 -14.287 4.920 -7.795 1.00 22.56 O ATOM 2142 CB THR B 48 -12.425 2.941 -7.894 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.568 1.855 -8.215 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.758 2.404 -7.371 1.00 16.02 C ATOM 0 H THR B 48 -11.182 5.267 -8.771 1.00 16.86 H new ATOM 0 HA THR B 48 -12.907 3.126 -9.984 1.00 16.59 H new ATOM 0 HB THR B 48 -11.960 3.558 -7.126 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.787 1.518 -9.109 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.583 1.804 -6.478 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.415 3.238 -7.125 1.00 16.02 H new ATOM 0 HG23 THR B 48 -14.227 1.786 -8.137 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.319 5.367 -9.949 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.457 6.319 -9.801 1.00 18.82 C ATOM 2154 C LEU B 49 -16.475 5.756 -8.806 1.00 20.06 C ATOM 2155 O LEU B 49 -16.802 4.587 -8.834 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.136 6.501 -11.161 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.149 7.975 -11.560 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.174 8.726 -10.706 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.757 8.581 -11.344 1.00 14.50 C ATOM 0 H LEU B 49 -13.973 5.255 -10.902 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.084 7.276 -9.437 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.610 5.918 -11.917 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.157 6.121 -11.118 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.419 8.062 -12.612 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.184 9.778 -10.990 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.164 8.298 -10.865 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.905 8.637 -9.653 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.770 9.633 -11.630 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.481 8.494 -10.293 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -14.029 8.048 -11.956 1.00 14.50 H new ATOM 2171 N ASP B 50 -16.982 6.579 -7.930 1.00 22.62 N ATOM 2172 CA ASP B 50 -17.981 6.089 -6.939 1.00 27.04 C ATOM 2173 C ASP B 50 -19.346 5.959 -7.618 1.00 27.73 C ATOM 2174 O ASP B 50 -19.563 6.470 -8.699 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.080 7.082 -5.780 1.00 29.11 C ATOM 2176 CG ASP B 50 -17.754 6.370 -4.466 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -17.794 5.150 -4.450 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -17.470 7.055 -3.498 1.00 30.76 O ATOM 0 H ASP B 50 -16.748 7.569 -7.858 1.00 22.62 H new ATOM 0 HA ASP B 50 -17.669 5.117 -6.557 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.389 7.911 -5.938 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.083 7.507 -5.736 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.268 5.277 -6.995 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.616 5.116 -7.609 1.00 34.22 C ATOM 2185 C GLU B 51 -22.374 6.442 -7.533 1.00 34.98 C ATOM 2186 O GLU B 51 -22.697 6.924 -6.466 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.396 4.038 -6.852 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.343 3.321 -7.816 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.791 3.666 -7.462 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.363 2.963 -6.644 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -25.303 4.625 -8.014 1.00 54.92 O ATOM 0 H GLU B 51 -20.146 4.825 -6.089 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.506 4.820 -8.652 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.707 3.323 -6.404 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.962 4.489 -6.037 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.128 3.619 -8.842 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.190 2.243 -7.758 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.662 7.037 -8.659 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.400 8.331 -8.651 1.00 34.93 C ATOM 2200 C GLY B 52 -22.408 9.490 -8.761 1.00 36.10 C ATOM 2201 O GLY B 52 -22.790 10.636 -8.891 1.00 35.97 O ATOM 0 H GLY B 52 -22.418 6.682 -9.584 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.106 8.363 -9.481 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.982 8.423 -7.734 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.135 9.204 -8.711 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.123 10.293 -8.812 1.00 35.40 C ATOM 2207 C GLN B 53 -19.772 10.531 -10.284 1.00 31.02 C ATOM 2208 O GLN B 53 -19.727 9.602 -11.066 1.00 29.05 O ATOM 2209 CB GLN B 53 -18.860 9.886 -8.048 1.00 41.20 C ATOM 2210 CG GLN B 53 -18.758 10.702 -6.758 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.286 10.942 -6.420 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.409 10.570 -7.174 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -16.975 11.551 -5.308 1.00 54.76 N ATOM 0 H GLN B 53 -20.753 8.264 -8.605 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.531 11.208 -8.383 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.890 8.821 -7.816 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -17.978 10.053 -8.667 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.275 11.654 -6.876 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.248 10.173 -5.941 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -17.711 11.864 -4.675 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -15.996 11.714 -5.073 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.531 11.775 -10.618 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.178 12.174 -11.990 1.00 23.44 C ATOM 2224 C PRO B 54 -17.706 11.862 -12.273 1.00 20.14 C ATOM 2225 O PRO B 54 -16.823 12.302 -11.563 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.430 13.681 -12.005 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.362 14.145 -10.535 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.590 12.897 -9.662 1.00 28.37 C ATOM 0 HA PRO B 54 -19.753 11.646 -12.751 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.683 14.194 -12.610 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.403 13.908 -12.440 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.395 14.597 -10.317 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.120 14.901 -10.333 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.825 12.805 -8.891 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.553 12.937 -9.153 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.437 11.101 -13.299 1.00 17.21 N ATOM 2237 CA ALA B 55 -16.029 10.752 -13.627 1.00 15.58 C ATOM 2238 C ALA B 55 -15.117 11.968 -13.435 1.00 16.41 C ATOM 2239 O ALA B 55 -15.486 13.088 -13.726 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.955 10.291 -15.080 1.00 13.98 C ATOM 0 H ALA B 55 -18.137 10.705 -13.926 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.697 9.955 -12.962 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.925 10.033 -15.328 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.591 9.416 -15.217 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.296 11.094 -15.734 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.922 11.749 -12.952 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.978 12.885 -12.748 1.00 14.61 C ATOM 2248 C TYR B 56 -12.982 13.773 -13.992 1.00 15.51 C ATOM 2249 O TYR B 56 -12.409 13.433 -15.007 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.562 12.343 -12.529 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.472 11.602 -11.208 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.594 11.491 -10.372 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.261 11.018 -10.831 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -12.497 10.794 -9.161 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -10.164 10.324 -9.623 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.280 10.211 -8.786 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.183 9.523 -7.593 1.00 12.03 O ATOM 0 H TYR B 56 -13.560 10.832 -12.690 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.289 13.462 -11.877 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.292 11.674 -13.346 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.846 13.165 -12.540 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -13.531 11.943 -10.662 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -9.398 11.103 -11.475 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -13.360 10.706 -8.517 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -9.226 9.874 -9.334 1.00 11.47 H new ATOM 0 HH TYR B 56 -12.051 9.125 -7.373 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.616 14.910 -13.928 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.639 15.809 -15.114 1.00 14.95 C ATOM 2269 C ALA B 57 -12.201 16.058 -15.582 1.00 15.46 C ATOM 2270 O ALA B 57 -11.260 15.724 -14.888 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.291 17.140 -14.735 1.00 14.98 C ATOM 0 H ALA B 57 -14.117 15.254 -13.109 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.212 15.344 -15.916 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.307 17.798 -15.604 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.311 16.962 -14.396 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.719 17.610 -13.935 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.074 16.638 -16.747 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.761 16.948 -17.341 1.00 16.55 C ATOM 2279 C PRO B 58 -10.154 18.189 -16.680 1.00 16.75 C ATOM 2280 O PRO B 58 -10.672 19.282 -16.796 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.087 17.213 -18.814 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.586 17.593 -18.867 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.226 17.040 -17.580 1.00 13.96 C ATOM 0 HA PRO B 58 -10.031 16.150 -17.210 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.468 18.018 -19.210 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.888 16.330 -19.421 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.710 18.674 -18.927 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.063 17.168 -19.750 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.834 17.795 -17.081 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.879 16.193 -17.792 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.059 18.028 -15.986 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.423 19.198 -15.317 1.00 15.08 C ATOM 2293 C GLY B 59 -7.216 18.734 -14.498 1.00 14.96 C ATOM 2294 O GLY B 59 -6.858 17.575 -14.508 1.00 13.79 O ATOM 0 H GLY B 59 -8.579 17.138 -15.854 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.109 19.928 -16.063 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.145 19.695 -14.669 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.591 19.633 -13.784 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.415 19.248 -12.953 1.00 14.53 C ATOM 2300 C LEU B 60 -5.913 18.511 -11.712 1.00 14.15 C ATOM 2301 O LEU B 60 -6.910 18.886 -11.129 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.668 20.512 -12.522 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.182 20.359 -12.835 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.495 21.723 -12.733 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.548 19.390 -11.834 1.00 15.01 C ATOM 0 H LEU B 60 -6.846 20.620 -13.741 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.746 18.606 -13.526 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -5.072 21.381 -13.042 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.810 20.685 -11.455 1.00 15.84 H new ATOM 0 HG LEU B 60 -3.061 19.968 -13.845 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.434 21.614 -12.957 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.947 22.412 -13.446 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.614 22.116 -11.723 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.487 19.280 -12.056 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.668 19.780 -10.823 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -3.037 18.419 -11.908 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.247 17.467 -11.294 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.729 16.740 -10.092 1.00 9.57 C ATOM 2319 C TYR B 61 -4.623 16.562 -9.072 1.00 11.76 C ATOM 2320 O TYR B 61 -3.454 16.736 -9.343 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.264 15.371 -10.490 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.690 15.536 -10.916 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.983 16.161 -12.129 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.721 15.087 -10.084 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -9.310 16.338 -12.516 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -10.049 15.262 -10.471 1.00 13.03 C ATOM 2327 CZ TYR B 61 -10.341 15.888 -11.685 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.654 16.056 -12.073 1.00 14.61 O ATOM 0 H TYR B 61 -4.403 17.093 -11.728 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.524 17.336 -9.643 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.670 14.951 -11.302 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.195 14.677 -9.653 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -7.183 16.507 -12.767 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.489 14.606 -9.145 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -9.541 16.821 -13.454 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.849 14.915 -9.834 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.696 16.166 -13.046 1.00 14.61 H new ATOM 2338 N THR B 62 -5.012 16.198 -7.894 1.00 12.22 N ATOM 2339 CA THR B 62 -4.047 15.965 -6.806 1.00 14.26 C ATOM 2340 C THR B 62 -4.657 14.908 -5.912 1.00 15.40 C ATOM 2341 O THR B 62 -5.742 15.073 -5.390 1.00 16.24 O ATOM 2342 CB THR B 62 -3.825 17.246 -6.016 1.00 15.07 C ATOM 2343 OG1 THR B 62 -5.020 17.595 -5.330 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.435 18.367 -6.976 1.00 11.61 C ATOM 0 H THR B 62 -5.987 16.049 -7.635 1.00 12.22 H new ATOM 0 HA THR B 62 -3.082 15.646 -7.199 1.00 14.26 H new ATOM 0 HB THR B 62 -3.027 17.096 -5.289 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.452 16.783 -4.992 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.275 19.287 -6.415 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.517 18.096 -7.498 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.234 18.519 -7.702 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.999 13.814 -5.751 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.586 12.749 -4.913 1.00 15.17 C ATOM 2354 C VAL B 63 -5.016 13.349 -3.583 1.00 14.24 C ATOM 2355 O VAL B 63 -4.655 14.458 -3.240 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.581 11.631 -4.690 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.340 10.354 -4.339 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.771 11.407 -5.972 1.00 18.64 C ATOM 0 H VAL B 63 -3.087 13.607 -6.158 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.453 12.325 -5.420 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.903 11.897 -3.879 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.631 9.542 -4.176 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.922 10.515 -3.432 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.010 10.092 -5.158 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.050 10.605 -5.812 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.444 11.133 -6.784 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.242 12.324 -6.233 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.793 12.631 -2.836 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.261 13.159 -1.530 1.00 10.78 C ATOM 2370 C HIS B 64 -5.897 12.158 -0.433 1.00 14.19 C ATOM 2371 O HIS B 64 -6.252 10.993 -0.500 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.777 13.362 -1.579 1.00 11.86 C ATOM 2373 CG HIS B 64 -8.179 14.421 -0.590 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.527 14.587 0.621 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -9.183 15.359 -0.608 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -8.144 15.581 1.282 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -9.160 16.089 0.577 1.00 20.65 N ATOM 0 H HIS B 64 -6.127 11.697 -3.072 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.784 14.116 -1.318 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -8.082 13.655 -2.584 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.286 12.426 -1.351 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.883 15.507 -1.417 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.854 15.927 2.263 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.784 16.848 0.849 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.179 12.601 0.567 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.767 11.686 1.666 1.00 14.44 C ATOM 2387 C LEU B 65 -5.986 11.287 2.503 1.00 12.66 C ATOM 2388 O LEU B 65 -5.890 10.485 3.410 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.680 12.388 2.509 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.173 12.761 3.913 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -3.576 11.796 4.937 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.735 14.190 4.243 1.00 19.03 C ATOM 0 H LEU B 65 -4.860 13.565 0.667 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.347 10.765 1.263 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -2.812 11.734 2.594 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.350 13.289 1.992 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.261 12.697 3.945 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -3.926 12.061 5.934 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -3.887 10.778 4.702 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -2.488 11.860 4.906 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.085 14.457 5.240 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.647 14.254 4.211 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -4.161 14.879 3.513 1.00 19.03 H new ATOM 2404 N SER B 66 -7.135 11.824 2.198 1.00 13.51 N ATOM 2405 CA SER B 66 -8.350 11.455 2.967 1.00 10.39 C ATOM 2406 C SER B 66 -8.557 9.942 2.844 1.00 8.56 C ATOM 2407 O SER B 66 -9.335 9.348 3.563 1.00 11.70 O ATOM 2408 CB SER B 66 -9.563 12.183 2.386 1.00 12.88 C ATOM 2409 OG SER B 66 -10.623 12.157 3.332 1.00 14.72 O ATOM 0 H SER B 66 -7.282 12.501 1.450 1.00 13.51 H new ATOM 0 HA SER B 66 -8.233 11.736 4.013 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.302 13.213 2.143 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.877 11.707 1.457 1.00 12.88 H new ATOM 0 HG SER B 66 -10.665 11.272 3.751 1.00 14.72 H new ATOM 2415 N SER B 67 -7.868 9.320 1.920 1.00 7.98 N ATOM 2416 CA SER B 67 -8.022 7.852 1.724 1.00 8.20 C ATOM 2417 C SER B 67 -6.935 7.085 2.489 1.00 11.02 C ATOM 2418 O SER B 67 -6.961 5.873 2.559 1.00 11.45 O ATOM 2419 CB SER B 67 -7.906 7.529 0.235 1.00 8.01 C ATOM 2420 OG SER B 67 -8.834 8.325 -0.491 1.00 11.22 O ATOM 0 H SER B 67 -7.203 9.771 1.292 1.00 7.98 H new ATOM 0 HA SER B 67 -8.998 7.550 2.103 1.00 8.20 H new ATOM 0 HB2 SER B 67 -6.892 7.723 -0.113 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.104 6.471 0.064 1.00 8.01 H new ATOM 0 HG SER B 67 -9.276 7.774 -1.170 1.00 11.22 H new ATOM 2426 N PHE B 68 -5.971 7.768 3.047 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.888 7.048 3.779 1.00 11.79 C ATOM 2428 C PHE B 68 -5.364 6.690 5.186 1.00 12.69 C ATOM 2429 O PHE B 68 -6.284 7.281 5.715 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.639 7.933 3.877 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.287 8.510 2.521 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -3.948 8.078 1.360 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.306 9.503 2.434 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.626 8.641 0.122 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -1.986 10.066 1.194 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.647 9.636 0.040 1.00 11.87 C ATOM 0 H PHE B 68 -5.886 8.784 3.028 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.642 6.137 3.233 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.814 8.741 4.588 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.802 7.349 4.258 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.705 7.311 1.424 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.795 9.836 3.325 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.133 8.308 -0.771 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.228 10.833 1.128 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.401 10.073 -0.917 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.733 5.726 5.796 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.129 5.319 7.174 1.00 15.38 C ATOM 2448 C LYS B 69 -3.914 4.719 7.884 1.00 15.02 C ATOM 2449 O LYS B 69 -2.869 4.532 7.292 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.245 4.274 7.105 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.549 4.943 6.661 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.739 4.201 7.274 1.00 21.35 C ATOM 2453 CE LYS B 69 -8.744 2.750 6.788 1.00 30.24 C ATOM 2454 NZ LYS B 69 -9.248 1.863 7.874 1.00 32.70 N ATOM 0 H LYS B 69 -3.956 5.199 5.397 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.488 6.190 7.723 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.974 3.483 6.406 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.379 3.805 8.080 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.559 5.987 6.973 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.623 4.934 5.574 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -8.678 4.231 8.362 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -9.671 4.692 6.994 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.374 2.654 5.904 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -7.738 2.450 6.496 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -9.251 0.877 7.543 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -8.630 1.947 8.706 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -10.215 2.145 8.132 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.041 4.417 9.145 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.889 3.828 9.886 1.00 13.49 C ATOM 2470 C VAL B 70 -3.192 2.368 10.224 1.00 11.85 C ATOM 2471 O VAL B 70 -4.128 2.066 10.937 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.644 4.607 11.178 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.148 4.608 11.498 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.134 6.049 11.020 1.00 15.63 C ATOM 0 H VAL B 70 -4.890 4.552 9.695 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.998 3.883 9.260 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.191 4.131 11.991 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.973 5.164 12.419 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.802 3.582 11.622 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.601 5.079 10.681 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.956 6.597 11.945 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.594 6.529 10.204 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.201 6.048 10.798 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.405 1.458 9.719 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.645 0.016 10.013 1.00 11.07 C ATOM 2486 C GLY B 71 -1.927 -0.363 11.310 1.00 12.15 C ATOM 2487 O GLY B 71 -1.342 0.473 11.970 1.00 12.70 O ATOM 0 H GLY B 71 -1.606 1.650 9.115 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.714 -0.175 10.107 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.282 -0.600 9.190 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.965 -1.613 11.685 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.282 -2.029 12.939 1.00 19.42 C ATOM 2493 C GLN B 72 0.166 -2.407 12.638 1.00 16.97 C ATOM 2494 O GLN B 72 0.813 -3.097 13.400 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.005 -3.224 13.551 1.00 22.64 C ATOM 2496 CG GLN B 72 -2.129 -4.314 12.498 1.00 25.29 C ATOM 2497 CD GLN B 72 -1.326 -5.541 12.932 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -1.885 -6.516 13.395 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -0.027 -5.533 12.803 1.00 25.15 N ATOM 0 H GLN B 72 -2.438 -2.361 11.178 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.299 -1.199 13.645 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -1.455 -3.595 14.416 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -2.992 -2.927 13.905 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -3.176 -4.583 12.360 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -1.764 -3.949 11.538 1.00 25.29 H new ATOM 0 HE21 GLN B 72 0.442 -4.715 12.414 1.00 25.15 H new ATOM 0 HE22 GLN B 72 0.519 -6.345 13.091 1.00 25.15 H new ATOM 2508 N PHE B 73 0.676 -1.954 11.532 1.00 14.56 N ATOM 2509 CA PHE B 73 2.085 -2.278 11.171 1.00 14.60 C ATOM 2510 C PHE B 73 2.997 -1.113 11.567 1.00 15.63 C ATOM 2511 O PHE B 73 4.207 -1.230 11.559 1.00 17.80 O ATOM 2512 CB PHE B 73 2.185 -2.513 9.662 1.00 12.63 C ATOM 2513 CG PHE B 73 2.876 -3.830 9.402 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.180 -4.041 9.867 1.00 19.79 C ATOM 2515 CD2 PHE B 73 2.214 -4.841 8.695 1.00 16.27 C ATOM 2516 CE1 PHE B 73 4.821 -5.262 9.625 1.00 18.68 C ATOM 2517 CE2 PHE B 73 2.854 -6.063 8.454 1.00 20.44 C ATOM 2518 CZ PHE B 73 4.158 -6.273 8.919 1.00 17.88 C ATOM 0 H PHE B 73 0.179 -1.371 10.858 1.00 14.56 H new ATOM 0 HA PHE B 73 2.396 -3.178 11.701 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.190 -2.518 9.217 1.00 12.63 H new ATOM 0 HB3 PHE B 73 2.739 -1.700 9.193 1.00 12.63 H new ATOM 0 HD1 PHE B 73 4.691 -3.262 10.412 1.00 19.79 H new ATOM 0 HD2 PHE B 73 1.209 -4.678 8.335 1.00 16.27 H new ATOM 0 HE1 PHE B 73 5.827 -5.424 9.983 1.00 18.68 H new ATOM 0 HE2 PHE B 73 2.342 -6.843 7.910 1.00 20.44 H new ATOM 0 HZ PHE B 73 4.652 -7.215 8.733 1.00 17.88 H new ATOM 2528 N GLY B 74 2.429 0.010 11.917 1.00 13.82 N ATOM 2529 CA GLY B 74 3.265 1.176 12.315 1.00 13.44 C ATOM 2530 C GLY B 74 3.706 1.945 11.068 1.00 10.42 C ATOM 2531 O GLY B 74 4.871 2.240 10.890 1.00 13.62 O ATOM 0 H GLY B 74 1.422 0.169 11.944 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.700 1.832 12.977 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.138 0.836 12.872 1.00 13.44 H new ATOM 2535 N SER B 75 2.785 2.276 10.204 1.00 12.64 N ATOM 2536 CA SER B 75 3.156 3.028 8.972 1.00 12.47 C ATOM 2537 C SER B 75 1.888 3.487 8.249 1.00 12.47 C ATOM 2538 O SER B 75 0.839 2.886 8.373 1.00 11.32 O ATOM 2539 CB SER B 75 3.970 2.123 8.046 1.00 11.21 C ATOM 2540 OG SER B 75 4.527 1.056 8.801 1.00 18.27 O ATOM 0 H SER B 75 1.793 2.058 10.298 1.00 12.64 H new ATOM 0 HA SER B 75 3.752 3.898 9.247 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.334 1.729 7.253 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.763 2.695 7.564 1.00 11.21 H new ATOM 0 HG SER B 75 5.206 1.408 9.414 1.00 18.27 H new ATOM 2546 N LEU B 76 1.976 4.548 7.493 1.00 12.43 N ATOM 2547 CA LEU B 76 0.776 5.044 6.762 1.00 12.18 C ATOM 2548 C LEU B 76 0.585 4.228 5.483 1.00 12.07 C ATOM 2549 O LEU B 76 1.532 3.734 4.904 1.00 9.82 O ATOM 2550 CB LEU B 76 0.973 6.518 6.400 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.294 7.054 5.731 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.405 8.560 5.980 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.225 6.788 4.225 1.00 7.80 C ATOM 0 H LEU B 76 2.827 5.092 7.350 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.105 4.939 7.396 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.196 7.097 7.296 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.825 6.628 5.729 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.167 6.553 6.149 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.308 8.942 5.503 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.453 8.749 7.052 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.467 9.063 5.562 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.127 7.169 3.746 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.648 7.290 3.807 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.146 5.715 4.048 1.00 7.80 H new ATOM 2565 N MET B 77 -0.633 4.083 5.036 1.00 14.08 N ATOM 2566 CA MET B 77 -0.882 3.300 3.793 1.00 14.12 C ATOM 2567 C MET B 77 -2.198 3.754 3.162 1.00 11.37 C ATOM 2568 O MET B 77 -3.221 3.822 3.815 1.00 11.44 O ATOM 2569 CB MET B 77 -0.968 1.810 4.133 1.00 16.48 C ATOM 2570 CG MET B 77 -0.021 1.491 5.291 1.00 24.75 C ATOM 2571 SD MET B 77 -0.164 -0.261 5.721 1.00 35.11 S ATOM 2572 CE MET B 77 1.583 -0.686 5.521 1.00 33.86 C ATOM 0 H MET B 77 -1.466 4.473 5.478 1.00 14.08 H new ATOM 0 HA MET B 77 -0.064 3.464 3.091 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.991 1.547 4.404 1.00 16.48 H new ATOM 0 HB3 MET B 77 -0.705 1.212 3.260 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.006 1.725 5.010 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.264 2.110 6.155 1.00 24.75 H new ATOM 0 HE1 MET B 77 1.728 -1.744 5.741 1.00 33.86 H new ATOM 0 HE2 MET B 77 1.892 -0.483 4.495 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.184 -0.087 6.206 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.182 4.067 1.897 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.432 4.518 1.224 1.00 11.62 C ATOM 2584 C ILE B 78 -4.469 3.391 1.245 1.00 11.45 C ATOM 2585 O ILE B 78 -4.155 2.239 1.019 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.134 4.865 -0.229 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.116 6.005 -0.301 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.428 5.285 -0.925 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.887 5.536 -1.081 1.00 13.67 C ATOM 0 H ILE B 78 -1.356 4.030 1.299 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.817 5.391 1.750 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.717 3.990 -0.728 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.560 6.874 -0.787 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.827 6.314 0.704 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.217 5.534 -1.965 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.145 4.465 -0.886 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.846 6.156 -0.421 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.159 6.346 -1.135 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.440 4.680 -0.576 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.184 5.248 -2.089 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.706 3.721 1.483 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.777 2.682 1.485 1.00 14.79 C ATOM 2603 C ASP B 79 -7.577 2.816 0.186 1.00 15.20 C ATOM 2604 O ASP B 79 -8.272 1.912 -0.236 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.702 2.898 2.686 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.162 1.543 3.228 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.702 0.536 2.717 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -8.966 1.537 4.146 1.00 21.87 O ATOM 0 H ASP B 79 -6.025 4.670 1.677 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.337 1.687 1.555 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.180 3.455 3.465 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.565 3.495 2.391 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.460 3.949 -0.447 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.172 4.209 -1.727 1.00 17.14 C ATOM 2615 C ARG B 80 -7.956 5.679 -2.063 1.00 14.98 C ATOM 2616 O ARG B 80 -8.841 6.501 -1.941 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.667 3.914 -1.579 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.196 3.288 -2.873 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.010 4.324 -3.649 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.408 4.347 -3.131 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.202 5.339 -3.432 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -12.777 6.314 -4.190 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -14.424 5.356 -2.975 1.00 35.04 N ATOM 0 H ARG B 80 -6.885 4.726 -0.121 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.789 3.566 -2.519 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.834 3.237 -0.741 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.210 4.833 -1.359 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -9.365 2.932 -3.483 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -10.816 2.422 -2.643 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.556 5.310 -3.546 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.008 4.082 -4.712 1.00 28.43 H new ATOM 0 HE ARG B 80 -12.745 3.587 -2.540 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.822 6.302 -4.549 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -13.400 7.087 -4.423 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -14.758 4.595 -2.383 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.045 6.130 -3.209 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.756 6.001 -2.447 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.389 7.406 -2.765 1.00 11.27 C ATOM 2639 C LEU B 81 -7.570 8.158 -3.390 1.00 15.61 C ATOM 2640 O LEU B 81 -8.068 7.803 -4.440 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.175 7.394 -3.698 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.616 7.432 -5.157 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.375 7.501 -6.051 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.405 6.156 -5.478 1.00 18.72 C ATOM 0 H LEU B 81 -5.994 5.331 -2.557 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.133 7.935 -1.847 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.537 8.251 -3.483 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.579 6.500 -3.516 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.245 8.304 -5.333 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.681 7.529 -7.097 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.806 8.401 -5.815 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.753 6.623 -5.878 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.723 6.177 -6.520 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.772 5.285 -5.310 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.281 6.098 -4.832 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.013 9.204 -2.746 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.146 9.995 -3.292 1.00 12.72 C ATOM 2658 C ARG B 82 -8.584 11.071 -4.217 1.00 13.33 C ATOM 2659 O ARG B 82 -7.942 12.002 -3.781 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.909 10.657 -2.143 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.339 10.117 -2.097 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.086 10.751 -0.923 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.321 9.967 -0.638 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.961 10.137 0.488 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.523 10.997 1.369 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.041 9.447 0.734 1.00 16.89 N ATOM 0 H ARG B 82 -7.635 9.544 -1.862 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.825 9.344 -3.843 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.405 10.460 -1.197 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.922 11.739 -2.278 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.853 10.340 -3.032 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.326 9.032 -1.991 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.446 10.775 -0.041 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.344 11.784 -1.157 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.667 9.296 -1.324 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -12.679 11.538 1.178 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.025 11.128 2.247 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.385 8.776 0.047 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.541 9.579 1.613 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.800 10.943 -5.491 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.254 11.956 -6.435 1.00 13.86 C ATOM 2682 C LEU B 83 -9.156 13.186 -6.476 1.00 13.02 C ATOM 2683 O LEU B 83 -10.366 13.094 -6.431 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.157 11.364 -7.836 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.744 11.558 -8.390 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.762 11.326 -9.902 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.267 12.985 -8.100 1.00 10.58 C ATOM 0 H LEU B 83 -9.329 10.184 -5.921 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.262 12.248 -6.089 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.403 10.303 -7.809 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.883 11.843 -8.493 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.066 10.849 -7.915 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.758 11.463 -10.303 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.101 10.311 -10.110 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.440 12.039 -10.371 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.260 13.120 -8.496 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.942 13.698 -8.574 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.259 13.154 -7.023 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.560 14.339 -6.566 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.338 15.596 -6.617 1.00 12.86 C ATOM 2701 C VAL B 84 -8.596 16.581 -7.526 1.00 14.98 C ATOM 2702 O VAL B 84 -7.408 16.445 -7.730 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.429 16.164 -5.203 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -10.264 15.229 -4.327 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -8.021 16.293 -4.616 1.00 17.34 C ATOM 0 H VAL B 84 -7.548 14.461 -6.607 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.342 15.422 -7.005 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.902 17.145 -5.236 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -10.328 15.636 -3.318 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -11.266 15.137 -4.745 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.794 14.246 -4.293 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -8.084 16.698 -3.606 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.549 15.311 -4.584 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.427 16.961 -5.239 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.305 17.554 -8.031 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.713 18.582 -8.902 1.00 22.41 C ATOM 2717 C PRO B 85 -7.672 19.403 -8.125 1.00 25.70 C ATOM 2718 O PRO B 85 -7.844 19.692 -6.957 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.912 19.419 -9.351 1.00 21.19 C ATOM 2720 CG PRO B 85 -11.023 19.142 -8.325 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.740 17.735 -7.773 1.00 20.63 C ATOM 0 HA PRO B 85 -8.172 18.175 -9.756 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.661 20.479 -9.379 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.229 19.140 -10.356 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -11.013 19.885 -7.527 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -12.007 19.189 -8.792 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.969 17.666 -6.710 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.338 16.977 -8.278 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.584 19.761 -8.757 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.522 20.539 -8.052 1.00 39.94 C ATOM 2731 C ALA B 86 -6.047 21.937 -7.720 1.00 46.96 C ATOM 2732 O ALA B 86 -6.459 22.680 -8.589 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.290 20.654 -8.957 1.00 39.70 C ATOM 0 H ALA B 86 -6.385 19.547 -9.734 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.248 20.028 -7.129 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.514 21.222 -8.444 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.916 19.657 -9.191 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.563 21.165 -9.880 1.00 39.70 H new ATOM 2739 N LYS B 87 -6.038 22.302 -6.467 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.538 23.651 -6.079 1.00 55.12 C ATOM 2741 C LYS B 87 -5.750 24.724 -6.833 1.00 55.82 C ATOM 2742 O LYS B 87 -6.360 25.695 -7.250 1.00 58.05 O ATOM 2743 CB LYS B 87 -6.355 23.850 -4.571 1.00 52.96 C ATOM 2744 CG LYS B 87 -7.722 24.012 -3.902 1.00 55.49 C ATOM 2745 CD LYS B 87 -8.209 22.651 -3.399 1.00 56.64 C ATOM 2746 CE LYS B 87 -9.735 22.664 -3.287 1.00 58.91 C ATOM 2747 NZ LYS B 87 -10.172 21.605 -2.334 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.551 24.557 -6.980 1.00 57.66 O ATOM 0 H LYS B 87 -5.706 21.724 -5.695 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.595 23.732 -6.331 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -5.829 22.997 -4.143 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -5.741 24.730 -4.383 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -7.651 24.714 -3.072 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -8.439 24.427 -4.611 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -7.891 21.864 -4.082 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -7.764 22.430 -2.429 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -10.077 23.641 -2.944 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -10.184 22.495 -4.266 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -11.209 21.613 -2.257 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -9.858 20.676 -2.680 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -9.754 21.786 -1.399 1.00 58.16 H new