USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= -4! C(o=-2.7!,f=-11!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -130:sc= 1.29 (180deg=-0.00544) USER MOD Set 2.1: A 28 TYR OH : rot 67:sc= -0.0344 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -150:sc= 0.00207! (180deg=-0.0904) USER MOD Set 2.3: A 54 LYS NZ :NH3+ 160:sc= 0.655 (180deg=-0.84!) USER MOD Set 3.1: A 29 SER OG : rot -49:sc= -0.0658 USER MOD Set 3.2: A 30 HIS : no HE2:sc= -3.47 K(o=-3.5,f=-6.7!) USER MOD Single : A 1 SER N :NH3+ -158:sc= 0.498 (180deg=0.177) USER MOD Single : A 1 SER OG : rot 154:sc= 0.93 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -110:sc= -1.55! (180deg=-4.35!) USER MOD Single : A 14 HIS : no HE2:sc= 0.797 K(o=0.8,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ -124:sc= -0.011 (180deg=-8.06!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= 1.59 (180deg=-1.3!) USER MOD Single : A 24 MET CE :methyl -151:sc= -0.375 (180deg=-1.97) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -4.48! C(o=-4.5!,f=-6.3!) USER MOD Single : A 35 THR OG1 : rot -92:sc= 0.876 USER MOD Single : A 40 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.2) USER MOD Single : A 41 THR OG1 : rot -179:sc= 1.02 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -1.19! (180deg=-4.64!) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.11) USER MOD Single : A 59 ASN : amide:sc= -0.376 K(o=-0.38,f=-3.1!) USER MOD Single : A 62 LYS NZ :NH3+ 139:sc= -0.797! (180deg=-5.21!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= -0.148 (180deg=-0.989) USER MOD Single : A 70 MET CE :methyl 140:sc= -1.5 (180deg=-5.92!) USER MOD Single : A 73 TYR OH : rot 16:sc= -1.54! USER MOD Single : A 76 LYS NZ :NH3+ 144:sc= -0.566! (180deg=-3.32!) USER MOD Single : A 81 LYS NZ :NH3+ -111:sc= -1.02! (180deg=-3.39!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 140:sc= -0.418 (180deg=-1.08) USER MOD Single : A 84 TYR OH : rot 150:sc= 0.129 USER MOD Single : A 87 COA O2B : rot -78:sc= 0.25 USER MOD Single : A 87 COA OAP : rot -93:sc= -0.904 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.096 3.819 -7.522 1.00 0.91 N ATOM 2 CA SER A 1 -0.066 3.008 -7.018 1.00 2.20 C ATOM 3 C SER A 1 0.194 2.474 -5.589 1.00 1.75 C ATOM 4 O SER A 1 -0.493 2.861 -4.669 1.00 1.78 O ATOM 5 CB SER A 1 -0.270 1.860 -7.987 1.00 4.52 C ATOM 6 OG SER A 1 1.083 1.419 -8.079 1.00 5.26 O ATOM 0 H1 SER A 1 0.773 4.454 -8.279 1.00 0.91 H new ATOM 0 H2 SER A 1 1.490 4.383 -6.742 1.00 0.91 H new ATOM 0 H3 SER A 1 1.829 3.182 -7.894 1.00 0.91 H new ATOM 0 HA SER A 1 -0.958 3.631 -6.962 1.00 2.20 H new ATOM 0 HB2 SER A 1 -0.940 1.093 -7.599 1.00 4.52 H new ATOM 0 HB3 SER A 1 -0.676 2.182 -8.946 1.00 4.52 H new ATOM 0 HG SER A 1 1.102 0.469 -8.318 1.00 5.26 H new ATOM 14 N GLN A 2 1.185 1.625 -5.469 1.00 1.40 N ATOM 15 CA GLN A 2 1.570 1.014 -4.160 1.00 1.06 C ATOM 16 C GLN A 2 2.898 1.642 -3.638 1.00 0.59 C ATOM 17 O GLN A 2 3.918 0.984 -3.534 1.00 0.48 O ATOM 18 CB GLN A 2 1.703 -0.533 -4.397 1.00 1.52 C ATOM 19 CG GLN A 2 1.754 -1.266 -3.017 1.00 1.56 C ATOM 20 CD GLN A 2 2.686 -2.478 -3.020 1.00 2.03 C ATOM 21 OE1 GLN A 2 2.311 -3.631 -3.074 1.00 2.98 O ATOM 22 NE2 GLN A 2 3.959 -2.278 -2.964 1.00 1.41 N ATOM 0 H GLN A 2 1.762 1.321 -6.253 1.00 1.40 H new ATOM 0 HA GLN A 2 0.818 1.206 -3.394 1.00 1.06 H new ATOM 0 HB2 GLN A 2 0.859 -0.896 -4.983 1.00 1.52 H new ATOM 0 HB3 GLN A 2 2.605 -0.748 -4.969 1.00 1.52 H new ATOM 0 HG2 GLN A 2 2.082 -0.564 -2.251 1.00 1.56 H new ATOM 0 HG3 GLN A 2 0.749 -1.588 -2.745 1.00 1.56 H new ATOM 0 HE21 GLN A 2 4.324 -1.327 -2.917 1.00 1.41 H new ATOM 0 HE22 GLN A 2 4.600 -3.071 -2.966 1.00 1.41 H new ATOM 31 N ALA A 3 2.817 2.920 -3.329 1.00 0.49 N ATOM 32 CA ALA A 3 3.956 3.769 -2.793 1.00 0.75 C ATOM 33 C ALA A 3 5.044 3.035 -1.967 1.00 0.57 C ATOM 34 O ALA A 3 6.172 3.476 -1.858 1.00 0.67 O ATOM 35 CB ALA A 3 3.340 4.899 -1.936 1.00 1.09 C ATOM 0 H ALA A 3 1.950 3.447 -3.433 1.00 0.49 H new ATOM 0 HA ALA A 3 4.491 4.130 -3.671 1.00 0.75 H new ATOM 0 HB1 ALA A 3 4.136 5.527 -1.536 1.00 1.09 H new ATOM 0 HB2 ALA A 3 2.676 5.504 -2.554 1.00 1.09 H new ATOM 0 HB3 ALA A 3 2.773 4.464 -1.113 1.00 1.09 H new ATOM 41 N GLU A 4 4.662 1.915 -1.413 1.00 0.37 N ATOM 42 CA GLU A 4 5.556 1.087 -0.591 1.00 0.45 C ATOM 43 C GLU A 4 6.880 0.939 -1.338 1.00 0.38 C ATOM 44 O GLU A 4 7.947 0.955 -0.770 1.00 0.48 O ATOM 45 CB GLU A 4 4.836 -0.230 -0.371 1.00 0.55 C ATOM 46 CG GLU A 4 3.394 -0.014 0.179 1.00 0.82 C ATOM 47 CD GLU A 4 2.799 -1.337 0.685 1.00 0.79 C ATOM 48 OE1 GLU A 4 2.681 -2.244 -0.124 1.00 1.72 O ATOM 49 OE2 GLU A 4 2.505 -1.336 1.869 1.00 2.82 O ATOM 0 H GLU A 4 3.721 1.535 -1.509 1.00 0.37 H new ATOM 0 HA GLU A 4 5.789 1.520 0.382 1.00 0.45 H new ATOM 0 HB2 GLU A 4 4.788 -0.780 -1.311 1.00 0.55 H new ATOM 0 HB3 GLU A 4 5.404 -0.843 0.329 1.00 0.55 H new ATOM 0 HG2 GLU A 4 3.415 0.714 0.990 1.00 0.82 H new ATOM 0 HG3 GLU A 4 2.759 0.399 -0.605 1.00 0.82 H new ATOM 56 N PHE A 5 6.694 0.815 -2.611 1.00 0.21 N ATOM 57 CA PHE A 5 7.807 0.665 -3.579 1.00 0.19 C ATOM 58 C PHE A 5 8.674 1.942 -3.638 1.00 0.34 C ATOM 59 O PHE A 5 9.872 1.930 -3.426 1.00 0.37 O ATOM 60 CB PHE A 5 7.132 0.384 -4.854 1.00 0.25 C ATOM 61 CG PHE A 5 8.099 0.666 -6.018 1.00 0.45 C ATOM 62 CD1 PHE A 5 9.090 -0.216 -6.378 1.00 0.53 C ATOM 63 CD2 PHE A 5 7.989 1.841 -6.713 1.00 0.59 C ATOM 64 CE1 PHE A 5 9.957 0.078 -7.419 1.00 0.72 C ATOM 65 CE2 PHE A 5 8.836 2.145 -7.739 1.00 0.77 C ATOM 66 CZ PHE A 5 9.824 1.269 -8.098 1.00 0.84 C ATOM 0 H PHE A 5 5.770 0.811 -3.043 1.00 0.21 H new ATOM 0 HA PHE A 5 8.505 -0.127 -3.307 1.00 0.19 H new ATOM 0 HB2 PHE A 5 6.804 -0.655 -4.883 1.00 0.25 H new ATOM 0 HB3 PHE A 5 6.240 1.003 -4.950 1.00 0.25 H new ATOM 0 HD1 PHE A 5 9.194 -1.149 -5.844 1.00 0.53 H new ATOM 0 HD2 PHE A 5 7.214 2.543 -6.443 1.00 0.59 H new ATOM 0 HE1 PHE A 5 10.731 -0.622 -7.696 1.00 0.72 H new ATOM 0 HE2 PHE A 5 8.726 3.080 -8.269 1.00 0.77 H new ATOM 0 HZ PHE A 5 10.495 1.510 -8.909 1.00 0.84 H new ATOM 76 N ASP A 6 8.012 3.022 -3.932 1.00 0.44 N ATOM 77 CA ASP A 6 8.681 4.335 -4.035 1.00 0.62 C ATOM 78 C ASP A 6 9.497 4.545 -2.787 1.00 0.58 C ATOM 79 O ASP A 6 10.664 4.877 -2.794 1.00 0.54 O ATOM 80 CB ASP A 6 7.528 5.291 -4.234 1.00 0.77 C ATOM 81 CG ASP A 6 6.804 4.936 -5.523 1.00 0.97 C ATOM 82 OD1 ASP A 6 5.945 4.078 -5.432 1.00 1.05 O ATOM 83 OD2 ASP A 6 7.149 5.518 -6.524 1.00 1.08 O ATOM 0 H ASP A 6 7.008 3.045 -4.109 1.00 0.44 H new ATOM 0 HA ASP A 6 9.396 4.459 -4.848 1.00 0.62 H new ATOM 0 HB2 ASP A 6 6.842 5.233 -3.389 1.00 0.77 H new ATOM 0 HB3 ASP A 6 7.894 6.317 -4.278 1.00 0.77 H new ATOM 88 N LYS A 7 8.805 4.304 -1.730 1.00 0.60 N ATOM 89 CA LYS A 7 9.362 4.417 -0.355 1.00 0.51 C ATOM 90 C LYS A 7 10.577 3.477 -0.308 1.00 0.47 C ATOM 91 O LYS A 7 11.662 3.912 0.008 1.00 0.68 O ATOM 92 CB LYS A 7 8.195 4.007 0.540 1.00 0.83 C ATOM 93 CG LYS A 7 8.557 3.808 2.025 1.00 1.02 C ATOM 94 CD LYS A 7 7.296 3.116 2.628 1.00 2.10 C ATOM 95 CE LYS A 7 7.436 2.799 4.111 1.00 2.60 C ATOM 96 NZ LYS A 7 6.134 2.192 4.556 1.00 4.12 N ATOM 0 H LYS A 7 7.826 4.018 -1.755 1.00 0.60 H new ATOM 0 HA LYS A 7 9.719 5.397 -0.040 1.00 0.51 H new ATOM 0 HB2 LYS A 7 7.417 4.767 0.469 1.00 0.83 H new ATOM 0 HB3 LYS A 7 7.770 3.079 0.157 1.00 0.83 H new ATOM 0 HG2 LYS A 7 9.446 3.188 2.140 1.00 1.02 H new ATOM 0 HG3 LYS A 7 8.765 4.758 2.517 1.00 1.02 H new ATOM 0 HD2 LYS A 7 6.430 3.762 2.481 1.00 2.10 H new ATOM 0 HD3 LYS A 7 7.101 2.193 2.083 1.00 2.10 H new ATOM 0 HE2 LYS A 7 8.262 2.108 4.281 1.00 2.60 H new ATOM 0 HE3 LYS A 7 7.654 3.703 4.680 1.00 2.60 H new ATOM 0 HZ1 LYS A 7 6.187 1.960 5.568 1.00 4.12 H new ATOM 0 HZ2 LYS A 7 5.362 2.871 4.397 1.00 4.12 H new ATOM 0 HZ3 LYS A 7 5.951 1.325 4.011 1.00 4.12 H new ATOM 110 N ALA A 8 10.357 2.224 -0.637 1.00 0.30 N ATOM 111 CA ALA A 8 11.442 1.192 -0.639 1.00 0.26 C ATOM 112 C ALA A 8 12.694 1.796 -1.282 1.00 0.23 C ATOM 113 O ALA A 8 13.800 1.509 -0.856 1.00 0.22 O ATOM 114 CB ALA A 8 10.945 -0.046 -1.424 1.00 0.23 C ATOM 0 H ALA A 8 9.442 1.866 -0.912 1.00 0.30 H new ATOM 0 HA ALA A 8 11.692 0.881 0.375 1.00 0.26 H new ATOM 0 HB1 ALA A 8 11.725 -0.807 -1.434 1.00 0.23 H new ATOM 0 HB2 ALA A 8 10.053 -0.447 -0.944 1.00 0.23 H new ATOM 0 HB3 ALA A 8 10.707 0.244 -2.448 1.00 0.23 H new ATOM 120 N ALA A 9 12.509 2.620 -2.294 1.00 0.28 N ATOM 121 CA ALA A 9 13.715 3.233 -2.933 1.00 0.32 C ATOM 122 C ALA A 9 14.620 3.936 -1.882 1.00 0.45 C ATOM 123 O ALA A 9 15.824 3.754 -1.933 1.00 0.54 O ATOM 124 CB ALA A 9 13.235 4.232 -3.997 1.00 0.36 C ATOM 0 H ALA A 9 11.607 2.885 -2.691 1.00 0.28 H new ATOM 0 HA ALA A 9 14.319 2.453 -3.395 1.00 0.32 H new ATOM 0 HB1 ALA A 9 14.097 4.693 -4.478 1.00 0.36 H new ATOM 0 HB2 ALA A 9 12.639 3.709 -4.745 1.00 0.36 H new ATOM 0 HB3 ALA A 9 12.628 5.004 -3.524 1.00 0.36 H new ATOM 130 N GLU A 10 14.060 4.697 -0.967 1.00 0.53 N ATOM 131 CA GLU A 10 14.889 5.398 0.069 1.00 0.71 C ATOM 132 C GLU A 10 15.775 4.364 0.721 1.00 0.77 C ATOM 133 O GLU A 10 16.992 4.431 0.668 1.00 0.88 O ATOM 134 CB GLU A 10 13.919 6.077 1.102 1.00 0.75 C ATOM 135 CG GLU A 10 13.108 7.244 0.445 1.00 0.75 C ATOM 136 CD GLU A 10 12.327 8.039 1.513 1.00 1.03 C ATOM 137 OE1 GLU A 10 11.203 7.647 1.810 1.00 1.69 O ATOM 138 OE2 GLU A 10 12.920 9.004 1.971 1.00 2.64 O ATOM 0 H GLU A 10 13.056 4.863 -0.894 1.00 0.53 H new ATOM 0 HA GLU A 10 15.519 6.176 -0.362 1.00 0.71 H new ATOM 0 HB2 GLU A 10 13.230 5.332 1.500 1.00 0.75 H new ATOM 0 HB3 GLU A 10 14.494 6.461 1.945 1.00 0.75 H new ATOM 0 HG2 GLU A 10 13.787 7.911 -0.086 1.00 0.75 H new ATOM 0 HG3 GLU A 10 12.415 6.840 -0.293 1.00 0.75 H new ATOM 145 N GLU A 11 15.111 3.415 1.303 1.00 0.71 N ATOM 146 CA GLU A 11 15.813 2.300 2.012 1.00 0.77 C ATOM 147 C GLU A 11 17.087 1.776 1.354 1.00 0.75 C ATOM 148 O GLU A 11 18.188 1.818 1.879 1.00 0.74 O ATOM 149 CB GLU A 11 14.798 1.184 2.158 1.00 0.97 C ATOM 150 CG GLU A 11 13.853 1.532 3.318 1.00 1.27 C ATOM 151 CD GLU A 11 13.898 0.437 4.378 1.00 2.02 C ATOM 152 OE1 GLU A 11 14.967 0.082 4.844 1.00 1.89 O ATOM 153 OE2 GLU A 11 12.824 -0.027 4.690 1.00 3.01 O ATOM 0 H GLU A 11 14.093 3.357 1.322 1.00 0.71 H new ATOM 0 HA GLU A 11 16.171 2.693 2.963 1.00 0.77 H new ATOM 0 HB2 GLU A 11 14.234 1.062 1.233 1.00 0.97 H new ATOM 0 HB3 GLU A 11 15.302 0.237 2.351 1.00 0.97 H new ATOM 0 HG2 GLU A 11 14.141 2.487 3.758 1.00 1.27 H new ATOM 0 HG3 GLU A 11 12.835 1.647 2.946 1.00 1.27 H new ATOM 160 N VAL A 12 16.890 1.285 0.166 1.00 0.72 N ATOM 161 CA VAL A 12 18.054 0.728 -0.591 1.00 0.72 C ATOM 162 C VAL A 12 19.300 1.627 -0.708 1.00 0.90 C ATOM 163 O VAL A 12 20.389 1.097 -0.840 1.00 1.06 O ATOM 164 CB VAL A 12 17.505 0.302 -1.982 1.00 0.71 C ATOM 165 CG1 VAL A 12 17.714 1.335 -3.098 1.00 0.67 C ATOM 166 CG2 VAL A 12 18.217 -0.986 -2.402 1.00 0.75 C ATOM 0 H VAL A 12 15.990 1.242 -0.313 1.00 0.72 H new ATOM 0 HA VAL A 12 18.451 -0.111 -0.019 1.00 0.72 H new ATOM 0 HB VAL A 12 16.428 0.183 -1.861 1.00 0.71 H new ATOM 0 HG11 VAL A 12 17.300 0.952 -4.031 1.00 0.67 H new ATOM 0 HG12 VAL A 12 17.211 2.265 -2.832 1.00 0.67 H new ATOM 0 HG13 VAL A 12 18.780 1.523 -3.225 1.00 0.67 H new ATOM 0 HG21 VAL A 12 17.848 -1.305 -3.377 1.00 0.75 H new ATOM 0 HG22 VAL A 12 19.290 -0.805 -2.462 1.00 0.75 H new ATOM 0 HG23 VAL A 12 18.021 -1.766 -1.667 1.00 0.75 H new ATOM 176 N LYS A 13 19.200 2.936 -0.658 1.00 1.12 N ATOM 177 CA LYS A 13 20.457 3.734 -0.775 1.00 1.44 C ATOM 178 C LYS A 13 21.041 4.084 0.604 1.00 1.19 C ATOM 179 O LYS A 13 21.949 4.881 0.739 1.00 1.20 O ATOM 180 CB LYS A 13 20.104 4.968 -1.627 1.00 1.75 C ATOM 181 CG LYS A 13 20.402 4.539 -3.086 1.00 2.64 C ATOM 182 CD LYS A 13 20.175 5.678 -4.079 1.00 3.00 C ATOM 183 CE LYS A 13 21.230 6.748 -3.930 1.00 2.67 C ATOM 184 NZ LYS A 13 21.124 7.577 -5.146 1.00 3.27 N ATOM 0 H LYS A 13 18.337 3.467 -0.546 1.00 1.12 H new ATOM 0 HA LYS A 13 21.251 3.166 -1.260 1.00 1.44 H new ATOM 0 HB2 LYS A 13 19.058 5.249 -1.503 1.00 1.75 H new ATOM 0 HB3 LYS A 13 20.702 5.832 -1.339 1.00 1.75 H new ATOM 0 HG2 LYS A 13 21.434 4.196 -3.159 1.00 2.64 H new ATOM 0 HG3 LYS A 13 19.766 3.695 -3.352 1.00 2.64 H new ATOM 0 HD2 LYS A 13 20.191 5.286 -5.096 1.00 3.00 H new ATOM 0 HD3 LYS A 13 19.188 6.112 -3.920 1.00 3.00 H new ATOM 0 HE2 LYS A 13 21.061 7.344 -3.033 1.00 2.67 H new ATOM 0 HE3 LYS A 13 22.224 6.310 -3.839 1.00 2.67 H new ATOM 0 HZ1 LYS A 13 21.960 7.423 -5.745 1.00 3.27 H new ATOM 0 HZ2 LYS A 13 20.267 7.313 -5.673 1.00 3.27 H new ATOM 0 HZ3 LYS A 13 21.070 8.581 -4.878 1.00 3.27 H new ATOM 198 N HIS A 14 20.479 3.431 1.585 1.00 1.05 N ATOM 199 CA HIS A 14 20.885 3.583 3.013 1.00 0.88 C ATOM 200 C HIS A 14 21.625 2.248 3.358 1.00 0.88 C ATOM 201 O HIS A 14 22.294 2.111 4.370 1.00 0.91 O ATOM 202 CB HIS A 14 19.597 3.811 3.867 1.00 0.68 C ATOM 203 CG HIS A 14 19.027 5.219 3.605 1.00 0.64 C ATOM 204 ND1 HIS A 14 18.055 5.547 2.810 1.00 0.73 N ATOM 205 CD2 HIS A 14 19.425 6.422 4.155 1.00 0.61 C ATOM 206 CE1 HIS A 14 17.864 6.831 2.860 1.00 0.71 C ATOM 207 NE2 HIS A 14 18.697 7.413 3.685 1.00 0.61 N ATOM 0 H HIS A 14 19.718 2.766 1.446 1.00 1.05 H new ATOM 0 HA HIS A 14 21.539 4.432 3.212 1.00 0.88 H new ATOM 0 HB2 HIS A 14 18.850 3.057 3.620 1.00 0.68 H new ATOM 0 HB3 HIS A 14 19.829 3.696 4.926 1.00 0.68 H new ATOM 0 HD1 HIS A 14 17.522 4.896 2.234 1.00 0.73 H new ATOM 0 HD2 HIS A 14 20.224 6.534 4.873 1.00 0.61 H new ATOM 0 HE1 HIS A 14 17.110 7.354 2.291 1.00 0.71 H new ATOM 215 N LEU A 15 21.474 1.265 2.491 1.00 0.83 N ATOM 216 CA LEU A 15 22.153 -0.053 2.696 1.00 0.82 C ATOM 217 C LEU A 15 23.669 0.259 2.659 1.00 0.79 C ATOM 218 O LEU A 15 24.286 0.237 1.616 1.00 0.87 O ATOM 219 CB LEU A 15 21.801 -1.016 1.550 1.00 0.75 C ATOM 220 CG LEU A 15 20.315 -1.357 1.540 1.00 0.26 C ATOM 221 CD1 LEU A 15 20.033 -2.156 0.256 1.00 0.20 C ATOM 222 CD2 LEU A 15 19.978 -2.262 2.723 1.00 0.63 C ATOM 0 H LEU A 15 20.905 1.325 1.647 1.00 0.83 H new ATOM 0 HA LEU A 15 21.847 -0.523 3.631 1.00 0.82 H new ATOM 0 HB2 LEU A 15 22.078 -0.565 0.597 1.00 0.75 H new ATOM 0 HB3 LEU A 15 22.384 -1.931 1.651 1.00 0.75 H new ATOM 0 HG LEU A 15 19.727 -0.441 1.595 1.00 0.26 H new ATOM 0 HD11 LEU A 15 18.976 -2.418 0.215 1.00 0.20 H new ATOM 0 HD12 LEU A 15 20.291 -1.551 -0.613 1.00 0.20 H new ATOM 0 HD13 LEU A 15 20.633 -3.066 0.255 1.00 0.20 H new ATOM 0 HD21 LEU A 15 18.914 -2.500 2.707 1.00 0.63 H new ATOM 0 HD22 LEU A 15 20.557 -3.183 2.653 1.00 0.63 H new ATOM 0 HD23 LEU A 15 20.222 -1.750 3.654 1.00 0.63 H new ATOM 234 N LYS A 16 24.181 0.544 3.820 1.00 0.67 N ATOM 235 CA LYS A 16 25.612 0.887 4.089 1.00 0.67 C ATOM 236 C LYS A 16 26.677 0.088 3.283 1.00 0.43 C ATOM 237 O LYS A 16 27.854 0.376 3.346 1.00 0.33 O ATOM 238 CB LYS A 16 25.846 0.690 5.622 1.00 0.91 C ATOM 239 CG LYS A 16 24.732 1.372 6.499 1.00 1.65 C ATOM 240 CD LYS A 16 23.634 0.367 7.045 1.00 2.68 C ATOM 241 CE LYS A 16 24.241 -0.700 7.990 1.00 2.45 C ATOM 242 NZ LYS A 16 23.332 -0.889 9.170 1.00 2.71 N ATOM 0 H LYS A 16 23.614 0.554 4.668 1.00 0.67 H new ATOM 0 HA LYS A 16 25.757 1.914 3.754 1.00 0.67 H new ATOM 0 HB2 LYS A 16 25.877 -0.376 5.846 1.00 0.91 H new ATOM 0 HB3 LYS A 16 26.818 1.101 5.893 1.00 0.91 H new ATOM 0 HG2 LYS A 16 25.205 1.871 7.345 1.00 1.65 H new ATOM 0 HG3 LYS A 16 24.240 2.144 5.907 1.00 1.65 H new ATOM 0 HD2 LYS A 16 22.864 0.926 7.577 1.00 2.68 H new ATOM 0 HD3 LYS A 16 23.146 -0.128 6.205 1.00 2.68 H new ATOM 0 HE2 LYS A 16 24.368 -1.643 7.459 1.00 2.45 H new ATOM 0 HE3 LYS A 16 25.230 -0.387 8.324 1.00 2.45 H new ATOM 0 HZ1 LYS A 16 23.865 -0.726 10.048 1.00 2.71 H new ATOM 0 HZ2 LYS A 16 22.543 -0.213 9.112 1.00 2.71 H new ATOM 0 HZ3 LYS A 16 22.957 -1.859 9.168 1.00 2.71 H new ATOM 256 N THR A 17 26.275 -0.900 2.543 1.00 0.35 N ATOM 257 CA THR A 17 27.225 -1.734 1.751 1.00 0.16 C ATOM 258 C THR A 17 26.867 -2.135 0.308 1.00 0.22 C ATOM 259 O THR A 17 26.398 -3.237 0.126 1.00 0.28 O ATOM 260 CB THR A 17 27.473 -2.963 2.658 1.00 0.39 C ATOM 261 OG1 THR A 17 28.217 -2.425 3.743 1.00 0.59 O ATOM 262 CG2 THR A 17 28.432 -3.994 2.100 1.00 0.31 C ATOM 0 H THR A 17 25.298 -1.176 2.449 1.00 0.35 H new ATOM 0 HA THR A 17 28.100 -1.123 1.529 1.00 0.16 H new ATOM 0 HB THR A 17 26.510 -3.439 2.843 1.00 0.39 H new ATOM 0 HG1 THR A 17 28.424 -3.138 4.383 1.00 0.59 H new ATOM 0 HG21 THR A 17 28.538 -4.814 2.810 1.00 0.31 H new ATOM 0 HG22 THR A 17 28.044 -4.378 1.157 1.00 0.31 H new ATOM 0 HG23 THR A 17 29.405 -3.532 1.931 1.00 0.31 H new ATOM 270 N LYS A 18 27.086 -1.266 -0.661 1.00 0.26 N ATOM 271 CA LYS A 18 26.791 -1.563 -2.113 1.00 0.37 C ATOM 272 C LYS A 18 26.534 -3.066 -2.432 1.00 0.49 C ATOM 273 O LYS A 18 27.434 -3.805 -2.807 1.00 0.67 O ATOM 274 CB LYS A 18 27.991 -1.094 -2.930 1.00 0.53 C ATOM 275 CG LYS A 18 27.769 -1.353 -4.459 1.00 2.79 C ATOM 276 CD LYS A 18 29.093 -1.821 -5.126 1.00 2.36 C ATOM 277 CE LYS A 18 29.365 -3.294 -4.811 1.00 3.69 C ATOM 278 NZ LYS A 18 28.199 -4.064 -5.336 1.00 6.54 N ATOM 0 H LYS A 18 27.469 -0.334 -0.501 1.00 0.26 H new ATOM 0 HA LYS A 18 25.867 -1.042 -2.363 1.00 0.37 H new ATOM 0 HB2 LYS A 18 28.158 -0.031 -2.759 1.00 0.53 H new ATOM 0 HB3 LYS A 18 28.888 -1.615 -2.596 1.00 0.53 H new ATOM 0 HG2 LYS A 18 26.997 -2.110 -4.598 1.00 2.79 H new ATOM 0 HG3 LYS A 18 27.413 -0.442 -4.941 1.00 2.79 H new ATOM 0 HD2 LYS A 18 29.032 -1.680 -6.205 1.00 2.36 H new ATOM 0 HD3 LYS A 18 29.922 -1.209 -4.770 1.00 2.36 H new ATOM 0 HE2 LYS A 18 30.291 -3.626 -5.280 1.00 3.69 H new ATOM 0 HE3 LYS A 18 29.478 -3.446 -3.738 1.00 3.69 H new ATOM 0 HZ1 LYS A 18 28.529 -4.969 -5.727 1.00 6.54 H new ATOM 0 HZ2 LYS A 18 27.526 -4.245 -4.564 1.00 6.54 H new ATOM 0 HZ3 LYS A 18 27.728 -3.515 -6.083 1.00 6.54 H new ATOM 292 N PRO A 19 25.304 -3.492 -2.277 1.00 0.48 N ATOM 293 CA PRO A 19 24.949 -4.902 -2.552 1.00 0.64 C ATOM 294 C PRO A 19 25.472 -5.457 -3.882 1.00 0.66 C ATOM 295 O PRO A 19 25.811 -4.722 -4.788 1.00 0.70 O ATOM 296 CB PRO A 19 23.436 -4.915 -2.458 1.00 0.58 C ATOM 297 CG PRO A 19 23.192 -3.842 -1.360 1.00 0.51 C ATOM 298 CD PRO A 19 24.125 -2.699 -1.807 1.00 0.38 C ATOM 0 HA PRO A 19 25.429 -5.572 -1.839 1.00 0.64 H new ATOM 0 HB2 PRO A 19 22.963 -4.651 -3.404 1.00 0.58 H new ATOM 0 HB3 PRO A 19 23.050 -5.893 -2.171 1.00 0.58 H new ATOM 0 HG2 PRO A 19 22.149 -3.526 -1.324 1.00 0.51 H new ATOM 0 HG3 PRO A 19 23.447 -4.211 -0.367 1.00 0.51 H new ATOM 0 HD2 PRO A 19 23.689 -2.092 -2.600 1.00 0.38 H new ATOM 0 HD3 PRO A 19 24.377 -2.023 -0.990 1.00 0.38 H new ATOM 306 N ALA A 20 25.550 -6.753 -3.931 1.00 0.56 N ATOM 307 CA ALA A 20 26.024 -7.496 -5.156 1.00 0.55 C ATOM 308 C ALA A 20 25.555 -6.769 -6.461 1.00 0.38 C ATOM 309 O ALA A 20 24.429 -6.318 -6.576 1.00 0.32 O ATOM 310 CB ALA A 20 25.472 -8.919 -5.062 1.00 0.66 C ATOM 0 H ALA A 20 25.299 -7.360 -3.151 1.00 0.56 H new ATOM 0 HA ALA A 20 27.113 -7.525 -5.200 1.00 0.55 H new ATOM 0 HB1 ALA A 20 25.793 -9.492 -5.932 1.00 0.66 H new ATOM 0 HB2 ALA A 20 25.846 -9.395 -4.156 1.00 0.66 H new ATOM 0 HB3 ALA A 20 24.383 -8.886 -5.031 1.00 0.66 H new ATOM 316 N ASP A 21 26.410 -6.671 -7.440 1.00 0.38 N ATOM 317 CA ASP A 21 26.009 -5.970 -8.700 1.00 0.32 C ATOM 318 C ASP A 21 24.750 -6.682 -9.245 1.00 0.14 C ATOM 319 O ASP A 21 23.810 -6.006 -9.579 1.00 0.17 O ATOM 320 CB ASP A 21 27.249 -6.035 -9.619 1.00 0.50 C ATOM 321 CG ASP A 21 28.518 -5.748 -8.808 1.00 0.95 C ATOM 322 OD1 ASP A 21 28.646 -4.737 -8.120 1.00 2.38 O ATOM 323 OD2 ASP A 21 29.379 -6.598 -8.898 1.00 0.88 O ATOM 0 H ASP A 21 27.361 -7.040 -7.427 1.00 0.38 H new ATOM 0 HA ASP A 21 25.733 -4.922 -8.586 1.00 0.32 H new ATOM 0 HB2 ASP A 21 27.318 -7.020 -10.081 1.00 0.50 H new ATOM 0 HB3 ASP A 21 27.152 -5.310 -10.427 1.00 0.50 H new ATOM 328 N GLU A 22 24.723 -7.986 -9.328 1.00 0.15 N ATOM 329 CA GLU A 22 23.519 -8.728 -9.836 1.00 0.33 C ATOM 330 C GLU A 22 22.247 -8.333 -9.050 1.00 0.20 C ATOM 331 O GLU A 22 21.140 -8.471 -9.529 1.00 0.22 O ATOM 332 CB GLU A 22 23.700 -10.267 -9.677 1.00 0.62 C ATOM 333 CG GLU A 22 25.042 -10.803 -10.271 1.00 0.61 C ATOM 334 CD GLU A 22 26.279 -10.575 -9.388 1.00 2.33 C ATOM 335 OE1 GLU A 22 26.142 -10.097 -8.270 1.00 3.04 O ATOM 336 OE2 GLU A 22 27.325 -10.903 -9.918 1.00 4.08 O ATOM 0 H GLU A 22 25.502 -8.587 -9.059 1.00 0.15 H new ATOM 0 HA GLU A 22 23.414 -8.463 -10.888 1.00 0.33 H new ATOM 0 HB2 GLU A 22 23.653 -10.523 -8.618 1.00 0.62 H new ATOM 0 HB3 GLU A 22 22.868 -10.775 -10.165 1.00 0.62 H new ATOM 0 HG2 GLU A 22 24.939 -11.872 -10.457 1.00 0.61 H new ATOM 0 HG3 GLU A 22 25.211 -10.327 -11.237 1.00 0.61 H new ATOM 343 N GLU A 23 22.456 -7.826 -7.862 1.00 0.17 N ATOM 344 CA GLU A 23 21.311 -7.408 -6.983 1.00 0.29 C ATOM 345 C GLU A 23 20.963 -5.977 -7.421 1.00 0.31 C ATOM 346 O GLU A 23 19.817 -5.642 -7.686 1.00 0.35 O ATOM 347 CB GLU A 23 21.790 -7.520 -5.480 1.00 0.32 C ATOM 348 CG GLU A 23 22.009 -9.023 -5.137 1.00 0.31 C ATOM 349 CD GLU A 23 20.696 -9.715 -4.888 1.00 2.00 C ATOM 350 OE1 GLU A 23 20.114 -9.322 -3.892 1.00 1.01 O ATOM 351 OE2 GLU A 23 20.303 -10.575 -5.658 1.00 4.24 O ATOM 0 H GLU A 23 23.380 -7.680 -7.455 1.00 0.17 H new ATOM 0 HA GLU A 23 20.419 -8.028 -7.069 1.00 0.29 H new ATOM 0 HB2 GLU A 23 22.714 -6.961 -5.335 1.00 0.32 H new ATOM 0 HB3 GLU A 23 21.046 -7.085 -4.813 1.00 0.32 H new ATOM 0 HG2 GLU A 23 22.534 -9.514 -5.956 1.00 0.31 H new ATOM 0 HG3 GLU A 23 22.643 -9.110 -4.255 1.00 0.31 H new ATOM 358 N MET A 24 21.998 -5.181 -7.469 1.00 0.30 N ATOM 359 CA MET A 24 21.903 -3.744 -7.890 1.00 0.35 C ATOM 360 C MET A 24 21.136 -3.779 -9.233 1.00 0.33 C ATOM 361 O MET A 24 20.130 -3.137 -9.379 1.00 0.44 O ATOM 362 CB MET A 24 23.358 -3.250 -7.993 1.00 0.34 C ATOM 363 CG MET A 24 23.977 -3.125 -6.591 1.00 0.38 C ATOM 364 SD MET A 24 25.648 -2.436 -6.565 1.00 2.06 S ATOM 365 CE MET A 24 25.127 -0.705 -6.508 1.00 0.73 C ATOM 0 H MET A 24 22.943 -5.477 -7.225 1.00 0.30 H new ATOM 0 HA MET A 24 21.377 -3.066 -7.218 1.00 0.35 H new ATOM 0 HB2 MET A 24 23.943 -3.944 -8.596 1.00 0.34 H new ATOM 0 HB3 MET A 24 23.387 -2.285 -8.499 1.00 0.34 H new ATOM 0 HG2 MET A 24 23.330 -2.498 -5.977 1.00 0.38 H new ATOM 0 HG3 MET A 24 23.998 -4.112 -6.128 1.00 0.38 H new ATOM 0 HE1 MET A 24 25.884 -0.081 -6.984 1.00 0.73 H new ATOM 0 HE2 MET A 24 24.180 -0.593 -7.035 1.00 0.73 H new ATOM 0 HE3 MET A 24 25.003 -0.396 -5.470 1.00 0.73 H new ATOM 375 N LEU A 25 21.656 -4.530 -10.161 1.00 0.23 N ATOM 376 CA LEU A 25 21.099 -4.744 -11.512 1.00 0.26 C ATOM 377 C LEU A 25 19.562 -4.885 -11.422 1.00 0.26 C ATOM 378 O LEU A 25 18.806 -4.236 -12.124 1.00 0.33 O ATOM 379 CB LEU A 25 21.843 -6.011 -12.026 1.00 0.25 C ATOM 380 CG LEU A 25 23.243 -5.686 -12.619 1.00 0.37 C ATOM 381 CD1 LEU A 25 23.916 -6.949 -13.180 1.00 0.42 C ATOM 382 CD2 LEU A 25 23.131 -4.697 -13.785 1.00 0.42 C ATOM 0 H LEU A 25 22.523 -5.046 -10.012 1.00 0.23 H new ATOM 0 HA LEU A 25 21.250 -3.920 -12.209 1.00 0.26 H new ATOM 0 HB2 LEU A 25 21.956 -6.719 -11.205 1.00 0.25 H new ATOM 0 HB3 LEU A 25 21.235 -6.500 -12.787 1.00 0.25 H new ATOM 0 HG LEU A 25 23.830 -5.263 -11.804 1.00 0.37 H new ATOM 0 HD11 LEU A 25 24.893 -6.690 -13.588 1.00 0.42 H new ATOM 0 HD12 LEU A 25 24.038 -7.681 -12.382 1.00 0.42 H new ATOM 0 HD13 LEU A 25 23.294 -7.373 -13.969 1.00 0.42 H new ATOM 0 HD21 LEU A 25 24.125 -4.487 -14.181 1.00 0.42 H new ATOM 0 HD22 LEU A 25 22.511 -5.129 -14.571 1.00 0.42 H new ATOM 0 HD23 LEU A 25 22.677 -3.770 -13.434 1.00 0.42 H new ATOM 394 N PHE A 26 19.157 -5.722 -10.507 1.00 0.28 N ATOM 395 CA PHE A 26 17.697 -5.956 -10.324 1.00 0.32 C ATOM 396 C PHE A 26 17.086 -4.671 -9.736 1.00 0.27 C ATOM 397 O PHE A 26 16.307 -4.006 -10.385 1.00 0.24 O ATOM 398 CB PHE A 26 17.539 -7.165 -9.389 1.00 0.37 C ATOM 399 CG PHE A 26 16.051 -7.429 -9.158 1.00 0.33 C ATOM 400 CD1 PHE A 26 15.320 -6.666 -8.263 1.00 2.43 C ATOM 401 CD2 PHE A 26 15.425 -8.435 -9.863 1.00 2.39 C ATOM 402 CE1 PHE A 26 13.985 -6.908 -8.081 1.00 2.53 C ATOM 403 CE2 PHE A 26 14.082 -8.675 -9.676 1.00 2.29 C ATOM 404 CZ PHE A 26 13.374 -7.906 -8.784 1.00 0.38 C ATOM 0 H PHE A 26 19.768 -6.250 -9.883 1.00 0.28 H new ATOM 0 HA PHE A 26 17.180 -6.177 -11.258 1.00 0.32 H new ATOM 0 HB2 PHE A 26 18.013 -8.043 -9.827 1.00 0.37 H new ATOM 0 HB3 PHE A 26 18.039 -6.974 -8.439 1.00 0.37 H new ATOM 0 HD1 PHE A 26 15.805 -5.877 -7.707 1.00 2.43 H new ATOM 0 HD2 PHE A 26 15.988 -9.035 -10.562 1.00 2.39 H new ATOM 0 HE1 PHE A 26 13.417 -6.311 -7.383 1.00 2.53 H new ATOM 0 HE2 PHE A 26 13.589 -9.462 -10.227 1.00 2.29 H new ATOM 0 HZ PHE A 26 12.321 -8.094 -8.637 1.00 0.38 H new ATOM 414 N ILE A 27 17.464 -4.341 -8.529 1.00 0.35 N ATOM 415 CA ILE A 27 16.923 -3.099 -7.874 1.00 0.27 C ATOM 416 C ILE A 27 16.802 -1.929 -8.877 1.00 0.31 C ATOM 417 O ILE A 27 15.775 -1.291 -8.988 1.00 0.52 O ATOM 418 CB ILE A 27 17.871 -2.779 -6.694 1.00 0.29 C ATOM 419 CG1 ILE A 27 17.472 -3.613 -5.437 1.00 0.33 C ATOM 420 CG2 ILE A 27 17.922 -1.288 -6.336 1.00 0.30 C ATOM 421 CD1 ILE A 27 16.048 -3.262 -4.902 1.00 0.29 C ATOM 0 H ILE A 27 18.124 -4.874 -7.963 1.00 0.35 H new ATOM 0 HA ILE A 27 15.908 -3.256 -7.509 1.00 0.27 H new ATOM 0 HB ILE A 27 18.872 -3.055 -7.025 1.00 0.29 H new ATOM 0 HG12 ILE A 27 17.511 -4.674 -5.684 1.00 0.33 H new ATOM 0 HG13 ILE A 27 18.204 -3.443 -4.647 1.00 0.33 H new ATOM 0 HG21 ILE A 27 18.606 -1.138 -5.501 1.00 0.30 H new ATOM 0 HG22 ILE A 27 18.271 -0.719 -7.198 1.00 0.30 H new ATOM 0 HG23 ILE A 27 16.926 -0.947 -6.055 1.00 0.30 H new ATOM 0 HD11 ILE A 27 15.827 -3.874 -4.028 1.00 0.29 H new ATOM 0 HD12 ILE A 27 16.013 -2.208 -4.626 1.00 0.29 H new ATOM 0 HD13 ILE A 27 15.309 -3.458 -5.679 1.00 0.29 H new ATOM 433 N TYR A 28 17.857 -1.676 -9.600 1.00 0.21 N ATOM 434 CA TYR A 28 17.843 -0.576 -10.594 1.00 0.37 C ATOM 435 C TYR A 28 16.907 -0.922 -11.779 1.00 0.16 C ATOM 436 O TYR A 28 16.006 -0.152 -12.046 1.00 0.26 O ATOM 437 CB TYR A 28 19.309 -0.376 -10.999 1.00 0.63 C ATOM 438 CG TYR A 28 19.412 0.729 -12.043 1.00 0.71 C ATOM 439 CD1 TYR A 28 19.488 2.051 -11.666 1.00 2.79 C ATOM 440 CD2 TYR A 28 19.424 0.412 -13.379 1.00 2.05 C ATOM 441 CE1 TYR A 28 19.577 3.037 -12.627 1.00 2.73 C ATOM 442 CE2 TYR A 28 19.511 1.404 -14.325 1.00 2.21 C ATOM 443 CZ TYR A 28 19.588 2.706 -13.971 1.00 0.97 C ATOM 444 OH TYR A 28 19.684 3.614 -15.004 1.00 1.10 O ATOM 0 H TYR A 28 18.735 -2.192 -9.541 1.00 0.21 H new ATOM 0 HA TYR A 28 17.441 0.355 -10.194 1.00 0.37 H new ATOM 0 HB2 TYR A 28 19.905 -0.118 -10.124 1.00 0.63 H new ATOM 0 HB3 TYR A 28 19.715 -1.305 -11.399 1.00 0.63 H new ATOM 0 HD1 TYR A 28 19.478 2.316 -10.619 1.00 2.79 H new ATOM 0 HD2 TYR A 28 19.365 -0.621 -13.687 1.00 2.05 H new ATOM 0 HE1 TYR A 28 19.638 4.073 -12.329 1.00 2.73 H new ATOM 0 HE2 TYR A 28 19.518 1.138 -15.372 1.00 2.21 H new ATOM 0 HH TYR A 28 20.567 4.039 -14.985 1.00 1.10 H new ATOM 454 N SER A 29 17.098 -2.025 -12.462 1.00 0.05 N ATOM 455 CA SER A 29 16.174 -2.365 -13.622 1.00 0.19 C ATOM 456 C SER A 29 14.718 -2.171 -13.199 1.00 0.33 C ATOM 457 O SER A 29 13.937 -1.516 -13.864 1.00 0.44 O ATOM 458 CB SER A 29 16.366 -3.815 -14.041 1.00 0.14 C ATOM 459 OG SER A 29 16.143 -4.527 -12.836 1.00 0.37 O ATOM 0 H SER A 29 17.838 -2.703 -12.281 1.00 0.05 H new ATOM 0 HA SER A 29 16.413 -1.706 -14.457 1.00 0.19 H new ATOM 0 HB2 SER A 29 15.661 -4.107 -14.819 1.00 0.14 H new ATOM 0 HB3 SER A 29 17.367 -3.992 -14.435 1.00 0.14 H new ATOM 0 HG SER A 29 16.666 -4.120 -12.114 1.00 0.37 H new ATOM 465 N HIS A 30 14.429 -2.763 -12.074 1.00 0.34 N ATOM 466 CA HIS A 30 13.064 -2.681 -11.502 1.00 0.49 C ATOM 467 C HIS A 30 12.757 -1.214 -11.176 1.00 0.60 C ATOM 468 O HIS A 30 11.789 -0.705 -11.691 1.00 0.93 O ATOM 469 CB HIS A 30 13.035 -3.597 -10.265 1.00 0.51 C ATOM 470 CG HIS A 30 12.692 -5.003 -10.762 1.00 0.36 C ATOM 471 ND1 HIS A 30 11.577 -5.615 -10.529 1.00 0.33 N ATOM 472 CD2 HIS A 30 13.411 -5.890 -11.537 1.00 0.24 C ATOM 473 CE1 HIS A 30 11.580 -6.776 -11.104 1.00 0.22 C ATOM 474 NE2 HIS A 30 12.705 -6.988 -11.741 1.00 0.18 N ATOM 0 H HIS A 30 15.092 -3.307 -11.522 1.00 0.34 H new ATOM 0 HA HIS A 30 12.293 -3.017 -12.195 1.00 0.49 H new ATOM 0 HB2 HIS A 30 14.000 -3.591 -9.757 1.00 0.51 H new ATOM 0 HB3 HIS A 30 12.294 -3.250 -9.545 1.00 0.51 H new ATOM 0 HD1 HIS A 30 10.808 -5.239 -9.974 1.00 0.33 H new ATOM 0 HD2 HIS A 30 14.405 -5.713 -11.920 1.00 0.24 H new ATOM 0 HE1 HIS A 30 10.761 -7.478 -11.063 1.00 0.22 H new ATOM 482 N TYR A 31 13.541 -0.551 -10.366 1.00 0.40 N ATOM 483 CA TYR A 31 13.285 0.882 -10.026 1.00 0.43 C ATOM 484 C TYR A 31 12.913 1.710 -11.263 1.00 0.43 C ATOM 485 O TYR A 31 11.921 2.415 -11.262 1.00 0.37 O ATOM 486 CB TYR A 31 14.551 1.457 -9.373 1.00 0.47 C ATOM 487 CG TYR A 31 14.313 2.877 -8.820 1.00 0.43 C ATOM 488 CD1 TYR A 31 13.355 3.123 -7.851 1.00 0.40 C ATOM 489 CD2 TYR A 31 15.069 3.932 -9.284 1.00 0.43 C ATOM 490 CE1 TYR A 31 13.166 4.405 -7.361 1.00 0.37 C ATOM 491 CE2 TYR A 31 14.877 5.205 -8.791 1.00 0.40 C ATOM 492 CZ TYR A 31 13.927 5.454 -7.827 1.00 0.38 C ATOM 493 OH TYR A 31 13.774 6.741 -7.352 1.00 0.43 O ATOM 0 H TYR A 31 14.365 -0.950 -9.916 1.00 0.40 H new ATOM 0 HA TYR A 31 12.438 0.932 -9.342 1.00 0.43 H new ATOM 0 HB2 TYR A 31 14.874 0.801 -8.564 1.00 0.47 H new ATOM 0 HB3 TYR A 31 15.359 1.482 -10.105 1.00 0.47 H new ATOM 0 HD1 TYR A 31 12.751 2.310 -7.475 1.00 0.40 H new ATOM 0 HD2 TYR A 31 15.819 3.760 -10.041 1.00 0.43 H new ATOM 0 HE1 TYR A 31 12.415 4.584 -6.606 1.00 0.37 H new ATOM 0 HE2 TYR A 31 15.480 6.018 -9.167 1.00 0.40 H new ATOM 0 HH TYR A 31 14.406 7.335 -7.808 1.00 0.43 H new ATOM 503 N LYS A 32 13.719 1.593 -12.288 1.00 0.50 N ATOM 504 CA LYS A 32 13.432 2.376 -13.532 1.00 0.52 C ATOM 505 C LYS A 32 12.221 1.831 -14.293 1.00 0.70 C ATOM 506 O LYS A 32 11.347 2.601 -14.637 1.00 0.88 O ATOM 507 CB LYS A 32 14.725 2.358 -14.347 1.00 0.52 C ATOM 508 CG LYS A 32 15.750 3.115 -13.456 1.00 0.79 C ATOM 509 CD LYS A 32 16.870 3.780 -14.248 1.00 1.42 C ATOM 510 CE LYS A 32 16.456 5.086 -14.887 1.00 3.15 C ATOM 511 NZ LYS A 32 17.671 5.633 -15.566 1.00 4.15 N ATOM 0 H LYS A 32 14.549 1.001 -12.320 1.00 0.50 H new ATOM 0 HA LYS A 32 13.148 3.403 -13.302 1.00 0.52 H new ATOM 0 HB2 LYS A 32 15.052 1.339 -14.552 1.00 0.52 H new ATOM 0 HB3 LYS A 32 14.595 2.851 -15.311 1.00 0.52 H new ATOM 0 HG2 LYS A 32 15.225 3.875 -12.877 1.00 0.79 H new ATOM 0 HG3 LYS A 32 16.186 2.415 -12.743 1.00 0.79 H new ATOM 0 HD2 LYS A 32 17.717 3.960 -13.586 1.00 1.42 H new ATOM 0 HD3 LYS A 32 17.212 3.096 -15.024 1.00 1.42 H new ATOM 0 HE2 LYS A 32 15.650 4.928 -15.603 1.00 3.15 H new ATOM 0 HE3 LYS A 32 16.084 5.784 -14.137 1.00 3.15 H new ATOM 0 HZ1 LYS A 32 17.627 6.672 -15.573 1.00 4.15 H new ATOM 0 HZ2 LYS A 32 18.523 5.326 -15.054 1.00 4.15 H new ATOM 0 HZ3 LYS A 32 17.710 5.282 -16.544 1.00 4.15 H new ATOM 525 N GLN A 33 12.177 0.559 -14.571 1.00 0.70 N ATOM 526 CA GLN A 33 10.993 -0.020 -15.298 1.00 0.96 C ATOM 527 C GLN A 33 9.700 0.378 -14.561 1.00 1.09 C ATOM 528 O GLN A 33 8.700 0.689 -15.173 1.00 1.35 O ATOM 529 CB GLN A 33 11.208 -1.563 -15.370 1.00 1.15 C ATOM 530 CG GLN A 33 10.422 -2.374 -14.322 1.00 1.26 C ATOM 531 CD GLN A 33 9.025 -2.776 -14.827 1.00 1.53 C ATOM 532 OE1 GLN A 33 8.164 -1.984 -15.140 1.00 0.64 O ATOM 533 NE2 GLN A 33 8.767 -4.040 -14.925 1.00 3.22 N ATOM 0 H GLN A 33 12.906 -0.112 -14.330 1.00 0.70 H new ATOM 0 HA GLN A 33 10.898 0.364 -16.314 1.00 0.96 H new ATOM 0 HB2 GLN A 33 10.925 -1.909 -16.364 1.00 1.15 H new ATOM 0 HB3 GLN A 33 12.271 -1.774 -15.250 1.00 1.15 H new ATOM 0 HG2 GLN A 33 10.985 -3.271 -14.062 1.00 1.26 H new ATOM 0 HG3 GLN A 33 10.321 -1.785 -13.410 1.00 1.26 H new ATOM 0 HE21 GLN A 33 9.476 -4.727 -14.667 1.00 3.22 H new ATOM 0 HE22 GLN A 33 7.855 -4.350 -15.260 1.00 3.22 H new ATOM 542 N ALA A 34 9.776 0.354 -13.260 1.00 1.05 N ATOM 543 CA ALA A 34 8.622 0.707 -12.398 1.00 1.11 C ATOM 544 C ALA A 34 8.329 2.235 -12.373 1.00 1.05 C ATOM 545 O ALA A 34 7.228 2.626 -12.709 1.00 1.76 O ATOM 546 CB ALA A 34 8.966 0.147 -11.019 1.00 1.09 C ATOM 0 H ALA A 34 10.618 0.096 -12.746 1.00 1.05 H new ATOM 0 HA ALA A 34 7.696 0.278 -12.781 1.00 1.11 H new ATOM 0 HB1 ALA A 34 8.157 0.369 -10.324 1.00 1.09 H new ATOM 0 HB2 ALA A 34 9.099 -0.933 -11.088 1.00 1.09 H new ATOM 0 HB3 ALA A 34 9.888 0.604 -10.660 1.00 1.09 H new ATOM 552 N THR A 35 9.263 3.079 -12.012 1.00 0.25 N ATOM 553 CA THR A 35 8.974 4.567 -11.987 1.00 0.15 C ATOM 554 C THR A 35 9.012 5.212 -13.378 1.00 0.27 C ATOM 555 O THR A 35 8.120 5.965 -13.719 1.00 0.32 O ATOM 556 CB THR A 35 10.015 5.304 -11.130 1.00 0.23 C ATOM 557 OG1 THR A 35 11.223 4.964 -11.791 1.00 0.30 O ATOM 558 CG2 THR A 35 10.206 4.738 -9.730 1.00 0.32 C ATOM 0 H THR A 35 10.208 2.816 -11.734 1.00 0.25 H new ATOM 0 HA THR A 35 7.969 4.659 -11.575 1.00 0.15 H new ATOM 0 HB THR A 35 9.728 6.351 -11.030 1.00 0.23 H new ATOM 0 HG1 THR A 35 11.602 4.156 -11.386 1.00 0.30 H new ATOM 0 HG21 THR A 35 10.959 5.322 -9.201 1.00 0.32 H new ATOM 0 HG22 THR A 35 9.262 4.785 -9.187 1.00 0.32 H new ATOM 0 HG23 THR A 35 10.534 3.701 -9.798 1.00 0.32 H new ATOM 566 N VAL A 36 10.015 4.922 -14.168 1.00 0.39 N ATOM 567 CA VAL A 36 10.093 5.532 -15.539 1.00 0.59 C ATOM 568 C VAL A 36 9.285 4.703 -16.553 1.00 0.80 C ATOM 569 O VAL A 36 8.342 5.172 -17.159 1.00 0.87 O ATOM 570 CB VAL A 36 11.645 5.637 -15.938 1.00 0.68 C ATOM 571 CG1 VAL A 36 11.810 6.215 -17.364 1.00 0.95 C ATOM 572 CG2 VAL A 36 12.333 6.615 -14.961 1.00 0.60 C ATOM 0 H VAL A 36 10.781 4.293 -13.928 1.00 0.39 H new ATOM 0 HA VAL A 36 9.652 6.529 -15.545 1.00 0.59 H new ATOM 0 HB VAL A 36 12.084 4.640 -15.895 1.00 0.68 H new ATOM 0 HG11 VAL A 36 12.870 6.276 -17.611 1.00 0.95 H new ATOM 0 HG12 VAL A 36 11.307 5.565 -18.080 1.00 0.95 H new ATOM 0 HG13 VAL A 36 11.369 7.211 -17.406 1.00 0.95 H new ATOM 0 HG21 VAL A 36 13.389 6.700 -15.215 1.00 0.60 H new ATOM 0 HG22 VAL A 36 11.862 7.595 -15.035 1.00 0.60 H new ATOM 0 HG23 VAL A 36 12.234 6.241 -13.942 1.00 0.60 H new ATOM 582 N GLY A 37 9.672 3.470 -16.692 1.00 1.00 N ATOM 583 CA GLY A 37 9.020 2.500 -17.640 1.00 1.25 C ATOM 584 C GLY A 37 10.015 2.076 -18.693 1.00 1.28 C ATOM 585 O GLY A 37 11.029 1.469 -18.396 1.00 1.38 O ATOM 0 H GLY A 37 10.449 3.068 -16.167 1.00 1.00 H new ATOM 0 HA2 GLY A 37 8.660 1.628 -17.094 1.00 1.25 H new ATOM 0 HA3 GLY A 37 8.152 2.963 -18.110 1.00 1.25 H new ATOM 589 N ASP A 38 9.660 2.397 -19.898 1.00 1.19 N ATOM 590 CA ASP A 38 10.429 2.130 -21.130 1.00 1.22 C ATOM 591 C ASP A 38 11.852 2.684 -20.973 1.00 1.24 C ATOM 592 O ASP A 38 12.183 3.440 -20.075 1.00 1.53 O ATOM 593 CB ASP A 38 9.742 2.826 -22.280 1.00 1.18 C ATOM 594 CG ASP A 38 8.281 2.989 -21.994 1.00 1.56 C ATOM 595 OD1 ASP A 38 7.577 2.029 -22.217 1.00 0.98 O ATOM 596 OD2 ASP A 38 7.998 4.077 -21.534 1.00 3.32 O ATOM 0 H ASP A 38 8.782 2.880 -20.087 1.00 1.19 H new ATOM 0 HA ASP A 38 10.481 1.057 -21.317 1.00 1.22 H new ATOM 0 HB2 ASP A 38 10.197 3.802 -22.447 1.00 1.18 H new ATOM 0 HB3 ASP A 38 9.878 2.250 -23.195 1.00 1.18 H new ATOM 601 N ILE A 39 12.664 2.295 -21.895 1.00 0.99 N ATOM 602 CA ILE A 39 14.054 2.779 -21.815 1.00 1.07 C ATOM 603 C ILE A 39 14.270 3.797 -22.931 1.00 1.30 C ATOM 604 O ILE A 39 14.805 3.582 -23.994 1.00 1.92 O ATOM 605 CB ILE A 39 14.865 1.494 -21.851 1.00 0.69 C ATOM 606 CG1 ILE A 39 16.297 1.872 -21.574 1.00 0.74 C ATOM 607 CG2 ILE A 39 14.729 0.727 -23.183 1.00 0.55 C ATOM 608 CD1 ILE A 39 16.926 0.673 -20.868 1.00 0.11 C ATOM 0 H ILE A 39 12.439 1.682 -22.679 1.00 0.99 H new ATOM 0 HA ILE A 39 14.348 3.336 -20.925 1.00 1.07 H new ATOM 0 HB ILE A 39 14.487 0.804 -21.096 1.00 0.69 H new ATOM 0 HG12 ILE A 39 16.825 2.100 -22.500 1.00 0.74 H new ATOM 0 HG13 ILE A 39 16.350 2.763 -20.949 1.00 0.74 H new ATOM 0 HG21 ILE A 39 15.332 -0.180 -23.144 1.00 0.55 H new ATOM 0 HG22 ILE A 39 13.684 0.461 -23.345 1.00 0.55 H new ATOM 0 HG23 ILE A 39 15.074 1.357 -24.003 1.00 0.55 H new ATOM 0 HD11 ILE A 39 17.970 0.891 -20.641 1.00 0.11 H new ATOM 0 HD12 ILE A 39 16.388 0.473 -19.942 1.00 0.11 H new ATOM 0 HD13 ILE A 39 16.870 -0.201 -21.516 1.00 0.11 H new ATOM 620 N ASN A 40 13.804 4.950 -22.542 1.00 1.44 N ATOM 621 CA ASN A 40 13.813 6.200 -23.350 1.00 1.68 C ATOM 622 C ASN A 40 15.092 6.971 -23.033 1.00 1.63 C ATOM 623 O ASN A 40 15.122 8.168 -22.832 1.00 1.75 O ATOM 624 CB ASN A 40 12.545 7.013 -22.975 1.00 2.02 C ATOM 625 CG ASN A 40 11.293 6.146 -23.085 1.00 4.22 C ATOM 626 OD1 ASN A 40 11.049 5.495 -24.075 1.00 6.20 O ATOM 627 ND2 ASN A 40 10.447 6.098 -22.105 1.00 4.12 N ATOM 0 H ASN A 40 13.385 5.081 -21.621 1.00 1.44 H new ATOM 0 HA ASN A 40 13.797 5.996 -24.421 1.00 1.68 H new ATOM 0 HB2 ASN A 40 12.640 7.395 -21.959 1.00 2.02 H new ATOM 0 HB3 ASN A 40 12.454 7.877 -23.633 1.00 2.02 H new ATOM 0 HD21 ASN A 40 9.607 5.524 -22.184 1.00 4.12 H new ATOM 0 HD22 ASN A 40 10.620 6.634 -21.255 1.00 4.12 H new ATOM 634 N THR A 41 16.109 6.163 -23.003 1.00 1.46 N ATOM 635 CA THR A 41 17.524 6.607 -22.730 1.00 1.38 C ATOM 636 C THR A 41 18.426 5.901 -23.755 1.00 1.30 C ATOM 637 O THR A 41 17.987 5.031 -24.485 1.00 1.09 O ATOM 638 CB THR A 41 18.046 6.181 -21.340 1.00 1.43 C ATOM 639 OG1 THR A 41 17.842 4.784 -21.378 1.00 1.92 O ATOM 640 CG2 THR A 41 17.166 6.619 -20.169 1.00 1.60 C ATOM 0 H THR A 41 16.023 5.159 -23.164 1.00 1.46 H new ATOM 0 HA THR A 41 17.538 7.696 -22.785 1.00 1.38 H new ATOM 0 HB THR A 41 19.047 6.585 -21.188 1.00 1.43 H new ATOM 0 HG1 THR A 41 18.127 4.388 -20.528 1.00 1.92 H new ATOM 0 HG21 THR A 41 17.609 6.277 -19.233 1.00 1.60 H new ATOM 0 HG22 THR A 41 17.089 7.706 -20.158 1.00 1.60 H new ATOM 0 HG23 THR A 41 16.172 6.186 -20.279 1.00 1.60 H new ATOM 648 N GLU A 42 19.667 6.288 -23.772 1.00 1.49 N ATOM 649 CA GLU A 42 20.648 5.676 -24.714 1.00 1.46 C ATOM 650 C GLU A 42 21.412 4.562 -23.957 1.00 1.41 C ATOM 651 O GLU A 42 21.229 4.380 -22.768 1.00 1.47 O ATOM 652 CB GLU A 42 21.572 6.802 -25.178 1.00 1.61 C ATOM 653 CG GLU A 42 22.306 7.417 -23.938 1.00 2.00 C ATOM 654 CD GLU A 42 23.079 8.678 -24.318 1.00 3.18 C ATOM 655 OE1 GLU A 42 22.425 9.553 -24.850 1.00 3.76 O ATOM 656 OE2 GLU A 42 24.267 8.689 -24.049 1.00 3.75 O ATOM 0 H GLU A 42 20.052 7.012 -23.166 1.00 1.49 H new ATOM 0 HA GLU A 42 20.179 5.220 -25.586 1.00 1.46 H new ATOM 0 HB2 GLU A 42 22.300 6.418 -25.892 1.00 1.61 H new ATOM 0 HB3 GLU A 42 20.996 7.571 -25.692 1.00 1.61 H new ATOM 0 HG2 GLU A 42 21.577 7.655 -23.163 1.00 2.00 H new ATOM 0 HG3 GLU A 42 22.991 6.681 -23.517 1.00 2.00 H new ATOM 663 N ARG A 43 22.243 3.847 -24.661 1.00 1.24 N ATOM 664 CA ARG A 43 23.024 2.744 -24.023 1.00 1.17 C ATOM 665 C ARG A 43 24.438 3.224 -23.595 1.00 1.31 C ATOM 666 O ARG A 43 25.035 4.028 -24.286 1.00 2.11 O ATOM 667 CB ARG A 43 23.046 1.622 -25.086 1.00 0.95 C ATOM 668 CG ARG A 43 23.458 0.269 -24.494 1.00 0.91 C ATOM 669 CD ARG A 43 23.184 -0.803 -25.546 1.00 0.80 C ATOM 670 NE ARG A 43 23.400 -2.112 -24.848 1.00 1.19 N ATOM 671 CZ ARG A 43 24.143 -3.083 -25.208 1.00 0.74 C ATOM 672 NH1 ARG A 43 25.219 -2.847 -25.837 1.00 2.91 N ATOM 673 NH2 ARG A 43 23.737 -4.256 -24.891 1.00 1.46 N ATOM 0 H ARG A 43 22.418 3.978 -25.657 1.00 1.24 H new ATOM 0 HA ARG A 43 22.579 2.388 -23.094 1.00 1.17 H new ATOM 0 HB2 ARG A 43 22.058 1.533 -25.538 1.00 0.95 H new ATOM 0 HB3 ARG A 43 23.738 1.893 -25.883 1.00 0.95 H new ATOM 0 HG2 ARG A 43 24.513 0.276 -24.222 1.00 0.91 H new ATOM 0 HG3 ARG A 43 22.896 0.063 -23.583 1.00 0.91 H new ATOM 0 HD2 ARG A 43 22.167 -0.726 -25.930 1.00 0.80 H new ATOM 0 HD3 ARG A 43 23.855 -0.697 -26.398 1.00 0.80 H new ATOM 0 HE ARG A 43 22.888 -2.242 -23.975 1.00 1.19 H new ATOM 0 HH11 ARG A 43 25.484 -1.886 -26.051 1.00 2.91 H new ATOM 0 HH12 ARG A 43 25.819 -3.619 -26.129 1.00 2.91 H new ATOM 0 HH21 ARG A 43 22.863 -4.372 -24.379 1.00 1.46 H new ATOM 0 HH22 ARG A 43 24.288 -5.074 -25.151 1.00 1.46 H new ATOM 687 N PRO A 44 24.958 2.732 -22.481 1.00 0.87 N ATOM 688 CA PRO A 44 26.318 3.127 -21.973 1.00 0.99 C ATOM 689 C PRO A 44 27.475 3.032 -22.985 1.00 1.50 C ATOM 690 O PRO A 44 28.403 3.815 -22.966 1.00 3.12 O ATOM 691 CB PRO A 44 26.486 2.223 -20.704 1.00 1.10 C ATOM 692 CG PRO A 44 25.008 2.117 -20.244 1.00 1.72 C ATOM 693 CD PRO A 44 24.303 1.756 -21.551 1.00 1.30 C ATOM 0 HA PRO A 44 26.372 4.193 -21.754 1.00 0.99 H new ATOM 0 HB2 PRO A 44 26.919 1.251 -20.940 1.00 1.10 H new ATOM 0 HB3 PRO A 44 27.125 2.681 -19.949 1.00 1.10 H new ATOM 0 HG2 PRO A 44 24.871 1.352 -19.480 1.00 1.72 H new ATOM 0 HG3 PRO A 44 24.641 3.054 -19.826 1.00 1.72 H new ATOM 0 HD2 PRO A 44 24.476 0.721 -21.845 1.00 1.30 H new ATOM 0 HD3 PRO A 44 23.223 1.895 -21.494 1.00 1.30 H new ATOM 701 N GLY A 45 27.374 2.066 -23.850 1.00 2.38 N ATOM 702 CA GLY A 45 28.414 1.806 -24.920 1.00 2.71 C ATOM 703 C GLY A 45 29.828 1.500 -24.404 1.00 2.80 C ATOM 704 O GLY A 45 30.309 0.398 -24.563 1.00 2.94 O ATOM 0 H GLY A 45 26.590 1.414 -23.872 1.00 2.38 H new ATOM 0 HA2 GLY A 45 28.080 0.968 -25.532 1.00 2.71 H new ATOM 0 HA3 GLY A 45 28.465 2.677 -25.573 1.00 2.71 H new ATOM 708 N MET A 46 30.449 2.482 -23.809 1.00 2.80 N ATOM 709 CA MET A 46 31.838 2.317 -23.254 1.00 2.88 C ATOM 710 C MET A 46 31.914 1.185 -22.199 1.00 2.83 C ATOM 711 O MET A 46 32.831 0.392 -22.188 1.00 2.80 O ATOM 712 CB MET A 46 32.271 3.658 -22.618 1.00 2.92 C ATOM 713 CG MET A 46 32.418 4.771 -23.669 1.00 2.98 C ATOM 714 SD MET A 46 33.551 4.480 -25.050 1.00 3.03 S ATOM 715 CE MET A 46 32.307 4.309 -26.354 1.00 5.74 C ATOM 0 H MET A 46 30.051 3.412 -23.678 1.00 2.80 H new ATOM 0 HA MET A 46 32.507 2.040 -24.069 1.00 2.88 H new ATOM 0 HB2 MET A 46 31.537 3.959 -21.871 1.00 2.92 H new ATOM 0 HB3 MET A 46 33.219 3.523 -22.097 1.00 2.92 H new ATOM 0 HG2 MET A 46 31.430 4.974 -24.083 1.00 2.98 H new ATOM 0 HG3 MET A 46 32.741 5.677 -23.155 1.00 2.98 H new ATOM 0 HE1 MET A 46 32.802 4.121 -27.307 1.00 5.74 H new ATOM 0 HE2 MET A 46 31.645 3.476 -26.118 1.00 5.74 H new ATOM 0 HE3 MET A 46 31.724 5.227 -26.423 1.00 5.74 H new ATOM 725 N LEU A 47 30.928 1.184 -21.342 1.00 2.83 N ATOM 726 CA LEU A 47 30.852 0.153 -20.250 1.00 2.81 C ATOM 727 C LEU A 47 30.053 -1.125 -20.659 1.00 2.65 C ATOM 728 O LEU A 47 28.850 -1.119 -20.852 1.00 4.28 O ATOM 729 CB LEU A 47 30.212 0.838 -18.993 1.00 2.83 C ATOM 730 CG LEU A 47 31.073 1.992 -18.336 1.00 3.27 C ATOM 731 CD1 LEU A 47 32.489 1.491 -17.997 1.00 3.35 C ATOM 732 CD2 LEU A 47 31.232 3.215 -19.260 1.00 3.92 C ATOM 0 H LEU A 47 30.162 1.857 -21.347 1.00 2.83 H new ATOM 0 HA LEU A 47 31.860 -0.200 -20.034 1.00 2.81 H new ATOM 0 HB2 LEU A 47 29.243 1.248 -19.278 1.00 2.83 H new ATOM 0 HB3 LEU A 47 30.025 0.073 -18.239 1.00 2.83 H new ATOM 0 HG LEU A 47 30.531 2.287 -17.437 1.00 3.27 H new ATOM 0 HD11 LEU A 47 33.063 2.301 -17.547 1.00 3.35 H new ATOM 0 HD12 LEU A 47 32.422 0.659 -17.296 1.00 3.35 H new ATOM 0 HD13 LEU A 47 32.985 1.158 -18.909 1.00 3.35 H new ATOM 0 HD21 LEU A 47 31.831 3.975 -18.758 1.00 3.92 H new ATOM 0 HD22 LEU A 47 31.728 2.912 -20.182 1.00 3.92 H new ATOM 0 HD23 LEU A 47 30.249 3.624 -19.494 1.00 3.92 H new ATOM 744 N ASP A 48 30.797 -2.203 -20.724 1.00 2.03 N ATOM 745 CA ASP A 48 30.283 -3.560 -21.113 1.00 2.15 C ATOM 746 C ASP A 48 29.827 -4.283 -19.817 1.00 1.92 C ATOM 747 O ASP A 48 28.888 -5.062 -19.782 1.00 2.42 O ATOM 748 CB ASP A 48 31.466 -4.258 -21.819 1.00 1.93 C ATOM 749 CG ASP A 48 32.597 -4.399 -20.799 1.00 3.24 C ATOM 750 OD1 ASP A 48 33.354 -3.449 -20.705 1.00 4.07 O ATOM 751 OD2 ASP A 48 32.602 -5.442 -20.170 1.00 4.27 O ATOM 0 H ASP A 48 31.795 -2.197 -20.511 1.00 2.03 H new ATOM 0 HA ASP A 48 29.424 -3.545 -21.784 1.00 2.15 H new ATOM 0 HB2 ASP A 48 31.165 -5.236 -22.194 1.00 1.93 H new ATOM 0 HB3 ASP A 48 31.796 -3.675 -22.679 1.00 1.93 H new ATOM 756 N PHE A 49 30.557 -3.970 -18.786 1.00 1.30 N ATOM 757 CA PHE A 49 30.320 -4.523 -17.428 1.00 1.23 C ATOM 758 C PHE A 49 29.038 -3.848 -16.858 1.00 1.25 C ATOM 759 O PHE A 49 28.123 -3.472 -17.567 1.00 2.25 O ATOM 760 CB PHE A 49 31.612 -4.196 -16.584 1.00 1.53 C ATOM 761 CG PHE A 49 31.478 -2.863 -15.788 1.00 1.76 C ATOM 762 CD1 PHE A 49 31.064 -1.688 -16.386 1.00 3.07 C ATOM 763 CD2 PHE A 49 31.747 -2.838 -14.433 1.00 1.91 C ATOM 764 CE1 PHE A 49 30.926 -0.527 -15.643 1.00 4.01 C ATOM 765 CE2 PHE A 49 31.615 -1.689 -13.697 1.00 2.09 C ATOM 766 CZ PHE A 49 31.202 -0.533 -14.296 1.00 3.24 C ATOM 0 H PHE A 49 31.344 -3.323 -18.834 1.00 1.30 H new ATOM 0 HA PHE A 49 30.155 -5.600 -17.414 1.00 1.23 H new ATOM 0 HB2 PHE A 49 31.806 -5.013 -15.889 1.00 1.53 H new ATOM 0 HB3 PHE A 49 32.472 -4.133 -17.250 1.00 1.53 H new ATOM 0 HD1 PHE A 49 30.846 -1.675 -17.444 1.00 3.07 H new ATOM 0 HD2 PHE A 49 32.069 -3.745 -13.942 1.00 1.91 H new ATOM 0 HE1 PHE A 49 30.601 0.384 -16.123 1.00 4.01 H new ATOM 0 HE2 PHE A 49 31.838 -1.698 -12.640 1.00 2.09 H new ATOM 0 HZ PHE A 49 31.093 0.371 -13.715 1.00 3.24 H new ATOM 776 N LYS A 50 29.040 -3.732 -15.562 1.00 1.60 N ATOM 777 CA LYS A 50 27.948 -3.111 -14.767 1.00 2.07 C ATOM 778 C LYS A 50 27.212 -1.933 -15.468 1.00 1.94 C ATOM 779 O LYS A 50 26.043 -1.696 -15.245 1.00 2.93 O ATOM 780 CB LYS A 50 28.616 -2.706 -13.453 1.00 2.53 C ATOM 781 CG LYS A 50 29.230 -3.969 -12.759 1.00 4.26 C ATOM 782 CD LYS A 50 29.649 -3.632 -11.311 1.00 5.00 C ATOM 783 CE LYS A 50 30.665 -4.671 -10.867 1.00 5.55 C ATOM 784 NZ LYS A 50 30.912 -4.475 -9.409 1.00 6.36 N ATOM 0 H LYS A 50 29.811 -4.068 -14.985 1.00 1.60 H new ATOM 0 HA LYS A 50 27.131 -3.818 -14.620 1.00 2.07 H new ATOM 0 HB2 LYS A 50 29.396 -1.969 -13.643 1.00 2.53 H new ATOM 0 HB3 LYS A 50 27.887 -2.236 -12.793 1.00 2.53 H new ATOM 0 HG2 LYS A 50 28.502 -4.781 -12.755 1.00 4.26 H new ATOM 0 HG3 LYS A 50 30.094 -4.319 -13.323 1.00 4.26 H new ATOM 0 HD2 LYS A 50 30.079 -2.632 -11.261 1.00 5.00 H new ATOM 0 HD3 LYS A 50 28.782 -3.640 -10.651 1.00 5.00 H new ATOM 0 HE2 LYS A 50 30.291 -5.677 -11.059 1.00 5.55 H new ATOM 0 HE3 LYS A 50 31.592 -4.563 -11.429 1.00 5.55 H new ATOM 0 HZ1 LYS A 50 31.073 -5.398 -8.957 1.00 6.36 H new ATOM 0 HZ2 LYS A 50 31.750 -3.873 -9.277 1.00 6.36 H new ATOM 0 HZ3 LYS A 50 30.085 -4.017 -8.975 1.00 6.36 H new ATOM 798 N GLY A 51 27.934 -1.238 -16.306 1.00 1.05 N ATOM 799 CA GLY A 51 27.379 -0.066 -17.068 1.00 1.09 C ATOM 800 C GLY A 51 26.331 -0.510 -18.075 1.00 0.77 C ATOM 801 O GLY A 51 25.190 -0.158 -17.882 1.00 0.73 O ATOM 0 H GLY A 51 28.915 -1.435 -16.504 1.00 1.05 H new ATOM 0 HA2 GLY A 51 26.938 0.648 -16.372 1.00 1.09 H new ATOM 0 HA3 GLY A 51 28.188 0.451 -17.585 1.00 1.09 H new ATOM 805 N LYS A 52 26.608 -1.250 -19.125 1.00 0.56 N ATOM 806 CA LYS A 52 25.460 -1.607 -20.017 1.00 0.60 C ATOM 807 C LYS A 52 24.558 -2.486 -19.176 1.00 0.62 C ATOM 808 O LYS A 52 23.375 -2.390 -19.328 1.00 0.68 O ATOM 809 CB LYS A 52 26.006 -2.333 -21.272 1.00 0.54 C ATOM 810 CG LYS A 52 25.283 -3.601 -21.608 1.00 2.26 C ATOM 811 CD LYS A 52 25.843 -4.670 -20.628 1.00 3.42 C ATOM 812 CE LYS A 52 25.960 -6.048 -21.254 1.00 5.15 C ATOM 813 NZ LYS A 52 27.038 -6.790 -20.525 1.00 6.92 N ATOM 0 H LYS A 52 27.526 -1.605 -19.393 1.00 0.56 H new ATOM 0 HA LYS A 52 24.902 -0.744 -20.380 1.00 0.60 H new ATOM 0 HB2 LYS A 52 25.946 -1.657 -22.125 1.00 0.54 H new ATOM 0 HB3 LYS A 52 27.061 -2.559 -21.118 1.00 0.54 H new ATOM 0 HG2 LYS A 52 24.206 -3.483 -21.487 1.00 2.26 H new ATOM 0 HG3 LYS A 52 25.457 -3.889 -22.645 1.00 2.26 H new ATOM 0 HD2 LYS A 52 26.825 -4.353 -20.276 1.00 3.42 H new ATOM 0 HD3 LYS A 52 25.194 -4.728 -19.754 1.00 3.42 H new ATOM 0 HE2 LYS A 52 25.013 -6.582 -21.182 1.00 5.15 H new ATOM 0 HE3 LYS A 52 26.201 -5.967 -22.314 1.00 5.15 H new ATOM 0 HZ1 LYS A 52 27.248 -7.678 -21.025 1.00 6.92 H new ATOM 0 HZ2 LYS A 52 27.896 -6.204 -20.485 1.00 6.92 H new ATOM 0 HZ3 LYS A 52 26.719 -7.004 -19.558 1.00 6.92 H new ATOM 827 N ALA A 53 25.181 -3.274 -18.338 1.00 0.66 N ATOM 828 CA ALA A 53 24.433 -4.190 -17.458 1.00 0.72 C ATOM 829 C ALA A 53 23.208 -3.415 -16.893 1.00 0.78 C ATOM 830 O ALA A 53 22.095 -3.761 -17.225 1.00 0.83 O ATOM 831 CB ALA A 53 25.387 -4.668 -16.383 1.00 0.80 C ATOM 0 H ALA A 53 26.195 -3.314 -18.233 1.00 0.66 H new ATOM 0 HA ALA A 53 24.051 -5.068 -17.978 1.00 0.72 H new ATOM 0 HB1 ALA A 53 24.866 -5.350 -15.711 1.00 0.80 H new ATOM 0 HB2 ALA A 53 26.227 -5.186 -16.846 1.00 0.80 H new ATOM 0 HB3 ALA A 53 25.756 -3.812 -15.817 1.00 0.80 H new ATOM 837 N LYS A 54 23.399 -2.390 -16.097 1.00 0.80 N ATOM 838 CA LYS A 54 22.193 -1.654 -15.565 1.00 0.84 C ATOM 839 C LYS A 54 21.234 -1.065 -16.638 1.00 0.79 C ATOM 840 O LYS A 54 20.184 -0.590 -16.276 1.00 0.85 O ATOM 841 CB LYS A 54 22.685 -0.516 -14.638 1.00 0.92 C ATOM 842 CG LYS A 54 23.628 0.375 -15.433 1.00 0.74 C ATOM 843 CD LYS A 54 24.380 1.327 -14.501 1.00 0.82 C ATOM 844 CE LYS A 54 23.740 2.724 -14.458 1.00 1.35 C ATOM 845 NZ LYS A 54 22.504 2.689 -13.641 1.00 1.40 N ATOM 0 H LYS A 54 24.306 -2.034 -15.796 1.00 0.80 H new ATOM 0 HA LYS A 54 21.598 -2.399 -15.037 1.00 0.84 H new ATOM 0 HB2 LYS A 54 21.840 0.063 -14.266 1.00 0.92 H new ATOM 0 HB3 LYS A 54 23.196 -0.929 -13.768 1.00 0.92 H new ATOM 0 HG2 LYS A 54 24.339 -0.239 -15.985 1.00 0.74 H new ATOM 0 HG3 LYS A 54 23.063 0.948 -16.168 1.00 0.74 H new ATOM 0 HD2 LYS A 54 24.400 0.907 -13.495 1.00 0.82 H new ATOM 0 HD3 LYS A 54 25.415 1.414 -14.831 1.00 0.82 H new ATOM 0 HE2 LYS A 54 24.444 3.443 -14.038 1.00 1.35 H new ATOM 0 HE3 LYS A 54 23.508 3.058 -15.469 1.00 1.35 H new ATOM 0 HZ1 LYS A 54 22.264 3.653 -13.333 1.00 1.40 H new ATOM 0 HZ2 LYS A 54 21.723 2.303 -14.209 1.00 1.40 H new ATOM 0 HZ3 LYS A 54 22.656 2.087 -12.807 1.00 1.40 H new ATOM 859 N TRP A 55 21.512 -1.072 -17.916 1.00 0.75 N ATOM 860 CA TRP A 55 20.589 -0.496 -18.979 1.00 0.72 C ATOM 861 C TRP A 55 19.828 -1.692 -19.630 1.00 0.64 C ATOM 862 O TRP A 55 18.617 -1.806 -19.754 1.00 0.48 O ATOM 863 CB TRP A 55 21.447 0.219 -20.036 1.00 0.81 C ATOM 864 CG TRP A 55 20.578 1.084 -20.978 1.00 0.77 C ATOM 865 CD1 TRP A 55 20.210 2.358 -20.676 1.00 0.85 C ATOM 866 CD2 TRP A 55 20.052 0.742 -22.191 1.00 0.68 C ATOM 867 NE1 TRP A 55 19.484 2.719 -21.713 1.00 0.80 N ATOM 868 CE2 TRP A 55 19.331 1.831 -22.670 1.00 0.68 C ATOM 869 CE3 TRP A 55 20.091 -0.417 -22.973 1.00 0.62 C ATOM 870 CZ2 TRP A 55 18.666 1.791 -23.886 1.00 0.61 C ATOM 871 CZ3 TRP A 55 19.420 -0.469 -24.201 1.00 0.53 C ATOM 872 CH2 TRP A 55 18.705 0.639 -24.659 1.00 0.53 C ATOM 0 H TRP A 55 22.373 -1.467 -18.295 1.00 0.75 H new ATOM 0 HA TRP A 55 19.881 0.216 -18.554 1.00 0.72 H new ATOM 0 HB2 TRP A 55 22.187 0.848 -19.541 1.00 0.81 H new ATOM 0 HB3 TRP A 55 21.996 -0.519 -20.621 1.00 0.81 H new ATOM 0 HD1 TRP A 55 20.455 2.935 -19.796 1.00 0.85 H new ATOM 0 HE1 TRP A 55 19.060 3.645 -21.771 1.00 0.80 H new ATOM 0 HE3 TRP A 55 20.643 -1.278 -22.627 1.00 0.62 H new ATOM 0 HZ2 TRP A 55 18.118 2.655 -24.231 1.00 0.61 H new ATOM 0 HZ3 TRP A 55 19.456 -1.370 -24.796 1.00 0.53 H new ATOM 0 HH2 TRP A 55 18.187 0.600 -25.606 1.00 0.53 H new ATOM 883 N ASP A 56 20.695 -2.604 -19.988 1.00 0.78 N ATOM 884 CA ASP A 56 20.332 -3.881 -20.654 1.00 0.80 C ATOM 885 C ASP A 56 19.341 -4.500 -19.637 1.00 0.72 C ATOM 886 O ASP A 56 18.204 -4.785 -19.961 1.00 0.70 O ATOM 887 CB ASP A 56 21.749 -4.567 -20.881 1.00 0.92 C ATOM 888 CG ASP A 56 22.097 -4.538 -22.346 1.00 0.64 C ATOM 889 OD1 ASP A 56 22.300 -3.438 -22.805 1.00 2.00 O ATOM 890 OD2 ASP A 56 22.162 -5.566 -22.988 1.00 1.83 O ATOM 0 H ASP A 56 21.698 -2.502 -19.833 1.00 0.78 H new ATOM 0 HA ASP A 56 19.833 -3.910 -21.623 1.00 0.80 H new ATOM 0 HB2 ASP A 56 22.513 -4.045 -20.305 1.00 0.92 H new ATOM 0 HB3 ASP A 56 21.727 -5.596 -20.523 1.00 0.92 H new ATOM 895 N ALA A 57 19.804 -4.645 -18.419 1.00 0.66 N ATOM 896 CA ALA A 57 19.014 -5.210 -17.278 1.00 0.59 C ATOM 897 C ALA A 57 17.653 -4.500 -17.080 1.00 0.50 C ATOM 898 O ALA A 57 16.766 -5.030 -16.448 1.00 0.50 O ATOM 899 CB ALA A 57 19.860 -5.081 -16.001 1.00 0.45 C ATOM 0 H ALA A 57 20.753 -4.378 -18.157 1.00 0.66 H new ATOM 0 HA ALA A 57 18.789 -6.253 -17.502 1.00 0.59 H new ATOM 0 HB1 ALA A 57 19.305 -5.486 -15.155 1.00 0.45 H new ATOM 0 HB2 ALA A 57 20.791 -5.635 -16.124 1.00 0.45 H new ATOM 0 HB3 ALA A 57 20.085 -4.030 -15.818 1.00 0.45 H new ATOM 905 N TRP A 58 17.515 -3.316 -17.635 1.00 0.46 N ATOM 906 CA TRP A 58 16.233 -2.520 -17.517 1.00 0.43 C ATOM 907 C TRP A 58 15.399 -2.794 -18.791 1.00 0.35 C ATOM 908 O TRP A 58 14.199 -2.973 -18.711 1.00 0.44 O ATOM 909 CB TRP A 58 16.586 -0.988 -17.349 1.00 0.48 C ATOM 910 CG TRP A 58 15.309 -0.083 -17.357 1.00 0.47 C ATOM 911 CD1 TRP A 58 14.020 -0.505 -17.150 1.00 0.47 C ATOM 912 CD2 TRP A 58 15.284 1.256 -17.595 1.00 0.52 C ATOM 913 NE1 TRP A 58 13.305 0.609 -17.287 1.00 0.43 N ATOM 914 CE2 TRP A 58 13.975 1.700 -17.550 1.00 0.46 C ATOM 915 CE3 TRP A 58 16.287 2.185 -17.836 1.00 0.69 C ATOM 916 CZ2 TRP A 58 13.636 3.025 -17.742 1.00 0.54 C ATOM 917 CZ3 TRP A 58 15.962 3.542 -18.029 1.00 0.82 C ATOM 918 CH2 TRP A 58 14.633 3.957 -17.985 1.00 0.75 C ATOM 0 H TRP A 58 18.246 -2.854 -18.176 1.00 0.46 H new ATOM 0 HA TRP A 58 15.650 -2.812 -16.644 1.00 0.43 H new ATOM 0 HB2 TRP A 58 17.127 -0.842 -16.414 1.00 0.48 H new ATOM 0 HB3 TRP A 58 17.253 -0.680 -18.154 1.00 0.48 H new ATOM 0 HD1 TRP A 58 13.670 -1.502 -16.929 1.00 0.47 H new ATOM 0 HE1 TRP A 58 12.289 0.611 -17.192 1.00 0.43 H new ATOM 0 HE3 TRP A 58 17.318 1.867 -17.876 1.00 0.69 H new ATOM 0 HZ2 TRP A 58 12.602 3.333 -17.703 1.00 0.54 H new ATOM 0 HZ3 TRP A 58 16.745 4.263 -18.212 1.00 0.82 H new ATOM 0 HH2 TRP A 58 14.382 4.996 -18.139 1.00 0.75 H new ATOM 929 N ASN A 59 16.036 -2.829 -19.933 1.00 0.34 N ATOM 930 CA ASN A 59 15.371 -3.089 -21.241 1.00 0.43 C ATOM 931 C ASN A 59 14.666 -4.437 -20.943 1.00 0.41 C ATOM 932 O ASN A 59 13.530 -4.667 -21.307 1.00 0.49 O ATOM 933 CB ASN A 59 16.486 -3.152 -22.316 1.00 0.59 C ATOM 934 CG ASN A 59 15.820 -3.123 -23.699 1.00 1.05 C ATOM 935 OD1 ASN A 59 14.844 -2.435 -23.918 1.00 1.27 O ATOM 936 ND2 ASN A 59 16.286 -3.831 -24.672 1.00 1.38 N ATOM 0 H ASN A 59 17.042 -2.680 -20.011 1.00 0.34 H new ATOM 0 HA ASN A 59 14.660 -2.353 -21.617 1.00 0.43 H new ATOM 0 HB2 ASN A 59 17.169 -2.310 -22.205 1.00 0.59 H new ATOM 0 HB3 ASN A 59 17.077 -4.060 -22.198 1.00 0.59 H new ATOM 0 HD21 ASN A 59 15.836 -3.800 -25.587 1.00 1.38 H new ATOM 0 HD22 ASN A 59 17.105 -4.422 -24.526 1.00 1.38 H new ATOM 943 N GLU A 60 15.398 -5.288 -20.267 1.00 0.40 N ATOM 944 CA GLU A 60 14.872 -6.637 -19.863 1.00 0.46 C ATOM 945 C GLU A 60 13.470 -6.606 -19.186 1.00 0.44 C ATOM 946 O GLU A 60 12.861 -7.647 -19.062 1.00 0.55 O ATOM 947 CB GLU A 60 15.855 -7.315 -18.870 1.00 0.50 C ATOM 948 CG GLU A 60 17.144 -7.819 -19.583 1.00 2.33 C ATOM 949 CD GLU A 60 18.007 -8.647 -18.615 1.00 2.75 C ATOM 950 OE1 GLU A 60 17.450 -9.540 -17.998 1.00 2.96 O ATOM 951 OE2 GLU A 60 19.188 -8.349 -18.543 1.00 2.96 O ATOM 0 H GLU A 60 16.357 -5.104 -19.971 1.00 0.40 H new ATOM 0 HA GLU A 60 14.776 -7.194 -20.795 1.00 0.46 H new ATOM 0 HB2 GLU A 60 16.126 -6.607 -18.087 1.00 0.50 H new ATOM 0 HB3 GLU A 60 15.358 -8.154 -18.383 1.00 0.50 H new ATOM 0 HG2 GLU A 60 16.875 -8.425 -20.448 1.00 2.33 H new ATOM 0 HG3 GLU A 60 17.717 -6.969 -19.954 1.00 2.33 H new ATOM 958 N LEU A 61 13.017 -5.436 -18.784 1.00 0.38 N ATOM 959 CA LEU A 61 11.692 -5.165 -18.101 1.00 0.39 C ATOM 960 C LEU A 61 10.839 -4.105 -18.867 1.00 0.47 C ATOM 961 O LEU A 61 10.150 -3.280 -18.293 1.00 0.52 O ATOM 962 CB LEU A 61 11.962 -4.631 -16.677 1.00 0.36 C ATOM 963 CG LEU A 61 13.030 -5.441 -15.954 1.00 0.33 C ATOM 964 CD1 LEU A 61 13.160 -4.903 -14.541 1.00 0.35 C ATOM 965 CD2 LEU A 61 12.621 -6.898 -15.881 1.00 0.40 C ATOM 0 H LEU A 61 13.561 -4.583 -18.914 1.00 0.38 H new ATOM 0 HA LEU A 61 11.135 -6.102 -18.079 1.00 0.39 H new ATOM 0 HB2 LEU A 61 12.275 -3.589 -16.735 1.00 0.36 H new ATOM 0 HB3 LEU A 61 11.037 -4.654 -16.100 1.00 0.36 H new ATOM 0 HG LEU A 61 13.974 -5.361 -16.492 1.00 0.33 H new ATOM 0 HD11 LEU A 61 13.921 -5.470 -14.004 1.00 0.35 H new ATOM 0 HD12 LEU A 61 13.448 -3.852 -14.577 1.00 0.35 H new ATOM 0 HD13 LEU A 61 12.205 -5.000 -14.025 1.00 0.35 H new ATOM 0 HD21 LEU A 61 13.392 -7.467 -15.362 1.00 0.40 H new ATOM 0 HD22 LEU A 61 11.679 -6.985 -15.339 1.00 0.40 H new ATOM 0 HD23 LEU A 61 12.496 -7.292 -16.890 1.00 0.40 H new ATOM 977 N LYS A 62 10.903 -4.111 -20.162 1.00 0.85 N ATOM 978 CA LYS A 62 10.124 -3.146 -20.975 1.00 1.15 C ATOM 979 C LYS A 62 8.814 -3.923 -21.334 1.00 1.67 C ATOM 980 O LYS A 62 8.726 -5.135 -21.251 1.00 3.81 O ATOM 981 CB LYS A 62 11.162 -2.798 -22.098 1.00 0.90 C ATOM 982 CG LYS A 62 11.204 -1.287 -22.298 1.00 1.20 C ATOM 983 CD LYS A 62 12.374 -0.766 -21.409 1.00 3.84 C ATOM 984 CE LYS A 62 12.357 -1.285 -19.978 1.00 5.89 C ATOM 985 NZ LYS A 62 11.108 -0.815 -19.325 1.00 5.35 N ATOM 0 H LYS A 62 11.475 -4.758 -20.704 1.00 0.85 H new ATOM 0 HA LYS A 62 9.766 -2.200 -20.569 1.00 1.15 H new ATOM 0 HB2 LYS A 62 12.150 -3.167 -21.822 1.00 0.90 H new ATOM 0 HB3 LYS A 62 10.886 -3.292 -23.030 1.00 0.90 H new ATOM 0 HG2 LYS A 62 11.370 -1.037 -23.346 1.00 1.20 H new ATOM 0 HG3 LYS A 62 10.259 -0.829 -22.006 1.00 1.20 H new ATOM 0 HD2 LYS A 62 13.319 -1.047 -21.873 1.00 3.84 H new ATOM 0 HD3 LYS A 62 12.341 0.323 -21.388 1.00 3.84 H new ATOM 0 HE2 LYS A 62 12.403 -2.374 -19.969 1.00 5.89 H new ATOM 0 HE3 LYS A 62 13.229 -0.924 -19.433 1.00 5.89 H new ATOM 0 HZ1 LYS A 62 10.711 -1.581 -18.744 1.00 5.35 H new ATOM 0 HZ2 LYS A 62 11.319 0.004 -18.720 1.00 5.35 H new ATOM 0 HZ3 LYS A 62 10.418 -0.539 -20.053 1.00 5.35 H new ATOM 999 N GLY A 63 7.800 -3.186 -21.694 1.00 1.17 N ATOM 1000 CA GLY A 63 6.488 -3.841 -22.051 1.00 1.09 C ATOM 1001 C GLY A 63 5.789 -4.531 -20.850 1.00 1.14 C ATOM 1002 O GLY A 63 4.721 -5.075 -21.004 1.00 1.18 O ATOM 0 H GLY A 63 7.812 -2.168 -21.759 1.00 1.17 H new ATOM 0 HA2 GLY A 63 5.818 -3.089 -22.467 1.00 1.09 H new ATOM 0 HA3 GLY A 63 6.662 -4.580 -22.833 1.00 1.09 H new ATOM 1006 N THR A 64 6.388 -4.496 -19.684 1.00 1.24 N ATOM 1007 CA THR A 64 5.787 -5.145 -18.449 1.00 1.43 C ATOM 1008 C THR A 64 5.017 -4.168 -17.564 1.00 1.20 C ATOM 1009 O THR A 64 5.023 -2.969 -17.781 1.00 1.10 O ATOM 1010 CB THR A 64 6.936 -5.807 -17.637 1.00 1.74 C ATOM 1011 OG1 THR A 64 7.255 -6.916 -18.456 1.00 2.18 O ATOM 1012 CG2 THR A 64 6.511 -6.516 -16.340 1.00 1.87 C ATOM 0 H THR A 64 7.285 -4.039 -19.522 1.00 1.24 H new ATOM 0 HA THR A 64 5.060 -5.885 -18.782 1.00 1.43 H new ATOM 0 HB THR A 64 7.674 -5.042 -17.396 1.00 1.74 H new ATOM 0 HG1 THR A 64 7.984 -7.426 -18.046 1.00 2.18 H new ATOM 0 HG21 THR A 64 7.389 -6.942 -15.854 1.00 1.87 H new ATOM 0 HG22 THR A 64 6.038 -5.797 -15.671 1.00 1.87 H new ATOM 0 HG23 THR A 64 5.805 -7.312 -16.575 1.00 1.87 H new ATOM 1020 N SER A 65 4.374 -4.724 -16.565 1.00 1.14 N ATOM 1021 CA SER A 65 3.562 -3.922 -15.612 1.00 0.98 C ATOM 1022 C SER A 65 4.416 -3.418 -14.435 1.00 0.93 C ATOM 1023 O SER A 65 4.888 -4.167 -13.601 1.00 1.02 O ATOM 1024 CB SER A 65 2.397 -4.818 -15.093 1.00 0.93 C ATOM 1025 OG SER A 65 1.736 -5.317 -16.264 1.00 3.17 O ATOM 0 H SER A 65 4.382 -5.725 -16.371 1.00 1.14 H new ATOM 0 HA SER A 65 3.167 -3.043 -16.122 1.00 0.98 H new ATOM 0 HB2 SER A 65 2.776 -5.636 -14.480 1.00 0.93 H new ATOM 0 HB3 SER A 65 1.710 -4.244 -14.471 1.00 0.93 H new ATOM 0 HG SER A 65 0.989 -5.893 -15.998 1.00 3.17 H new ATOM 1031 N LYS A 66 4.588 -2.127 -14.454 1.00 0.83 N ATOM 1032 CA LYS A 66 5.382 -1.406 -13.401 1.00 0.85 C ATOM 1033 C LYS A 66 5.250 -2.011 -12.001 1.00 0.67 C ATOM 1034 O LYS A 66 6.217 -2.358 -11.347 1.00 0.87 O ATOM 1035 CB LYS A 66 4.938 0.076 -13.357 1.00 0.73 C ATOM 1036 CG LYS A 66 5.627 0.855 -14.474 1.00 0.65 C ATOM 1037 CD LYS A 66 4.973 0.648 -15.853 1.00 2.75 C ATOM 1038 CE LYS A 66 5.756 1.450 -16.891 1.00 2.93 C ATOM 1039 NZ LYS A 66 5.830 2.885 -16.464 1.00 0.45 N ATOM 0 H LYS A 66 4.202 -1.517 -15.175 1.00 0.83 H new ATOM 0 HA LYS A 66 6.431 -1.502 -13.683 1.00 0.85 H new ATOM 0 HB2 LYS A 66 3.856 0.144 -13.467 1.00 0.73 H new ATOM 0 HB3 LYS A 66 5.188 0.512 -12.390 1.00 0.73 H new ATOM 0 HG2 LYS A 66 5.614 1.917 -14.229 1.00 0.65 H new ATOM 0 HG3 LYS A 66 6.673 0.553 -14.527 1.00 0.65 H new ATOM 0 HD2 LYS A 66 4.971 -0.410 -16.115 1.00 2.75 H new ATOM 0 HD3 LYS A 66 3.933 0.973 -15.831 1.00 2.75 H new ATOM 0 HE2 LYS A 66 6.760 1.040 -17.001 1.00 2.93 H new ATOM 0 HE3 LYS A 66 5.272 1.374 -17.865 1.00 2.93 H new ATOM 0 HZ1 LYS A 66 6.031 3.483 -17.291 1.00 0.45 H new ATOM 0 HZ2 LYS A 66 4.922 3.169 -16.043 1.00 0.45 H new ATOM 0 HZ3 LYS A 66 6.588 3.000 -15.762 1.00 0.45 H new ATOM 1053 N GLU A 67 4.005 -2.096 -11.643 1.00 0.37 N ATOM 1054 CA GLU A 67 3.540 -2.636 -10.354 1.00 0.22 C ATOM 1055 C GLU A 67 4.221 -3.970 -10.037 1.00 0.23 C ATOM 1056 O GLU A 67 4.871 -4.078 -9.013 1.00 0.31 O ATOM 1057 CB GLU A 67 2.007 -2.675 -10.517 1.00 0.23 C ATOM 1058 CG GLU A 67 1.495 -1.163 -10.627 1.00 0.70 C ATOM 1059 CD GLU A 67 0.055 -0.914 -10.155 1.00 1.26 C ATOM 1060 OE1 GLU A 67 -0.091 -0.941 -8.943 1.00 1.07 O ATOM 1061 OE2 GLU A 67 -0.786 -0.702 -11.015 1.00 3.11 O ATOM 0 H GLU A 67 3.241 -1.787 -12.244 1.00 0.37 H new ATOM 0 HA GLU A 67 3.803 -2.038 -9.481 1.00 0.22 H new ATOM 0 HB2 GLU A 67 1.731 -3.239 -11.408 1.00 0.23 H new ATOM 0 HB3 GLU A 67 1.544 -3.175 -9.667 1.00 0.23 H new ATOM 0 HG2 GLU A 67 2.164 -0.529 -10.045 1.00 0.70 H new ATOM 0 HG3 GLU A 67 1.578 -0.845 -11.666 1.00 0.70 H new ATOM 1068 N ASP A 68 4.106 -4.986 -10.845 1.00 0.39 N ATOM 1069 CA ASP A 68 4.797 -6.269 -10.516 1.00 0.46 C ATOM 1070 C ASP A 68 6.271 -6.038 -10.173 1.00 0.50 C ATOM 1071 O ASP A 68 6.792 -6.523 -9.178 1.00 0.50 O ATOM 1072 CB ASP A 68 4.524 -7.124 -11.756 1.00 0.55 C ATOM 1073 CG ASP A 68 3.066 -7.545 -11.644 1.00 0.62 C ATOM 1074 OD1 ASP A 68 2.778 -8.317 -10.743 1.00 0.86 O ATOM 1075 OD2 ASP A 68 2.356 -7.029 -12.491 1.00 0.52 O ATOM 0 H ASP A 68 3.569 -4.987 -11.712 1.00 0.39 H new ATOM 0 HA ASP A 68 4.438 -6.772 -9.618 1.00 0.46 H new ATOM 0 HB2 ASP A 68 4.700 -6.557 -12.670 1.00 0.55 H new ATOM 0 HB3 ASP A 68 5.182 -7.992 -11.787 1.00 0.55 H new ATOM 1080 N ALA A 69 6.898 -5.276 -11.024 1.00 0.60 N ATOM 1081 CA ALA A 69 8.341 -4.970 -10.784 1.00 0.76 C ATOM 1082 C ALA A 69 8.449 -4.432 -9.347 1.00 0.67 C ATOM 1083 O ALA A 69 9.350 -4.852 -8.653 1.00 0.81 O ATOM 1084 CB ALA A 69 8.815 -3.930 -11.795 1.00 0.86 C ATOM 0 H ALA A 69 6.488 -4.858 -11.859 1.00 0.60 H new ATOM 0 HA ALA A 69 8.967 -5.855 -10.903 1.00 0.76 H new ATOM 0 HB1 ALA A 69 9.867 -3.706 -11.621 1.00 0.86 H new ATOM 0 HB2 ALA A 69 8.690 -4.321 -12.805 1.00 0.86 H new ATOM 0 HB3 ALA A 69 8.227 -3.019 -11.683 1.00 0.86 H new ATOM 1090 N MET A 70 7.556 -3.543 -8.976 1.00 0.47 N ATOM 1091 CA MET A 70 7.557 -2.961 -7.589 1.00 0.40 C ATOM 1092 C MET A 70 7.484 -4.117 -6.575 1.00 0.23 C ATOM 1093 O MET A 70 8.363 -4.228 -5.748 1.00 0.27 O ATOM 1094 CB MET A 70 6.315 -1.997 -7.421 1.00 0.38 C ATOM 1095 CG MET A 70 6.301 -0.853 -8.467 1.00 0.66 C ATOM 1096 SD MET A 70 4.833 0.213 -8.481 1.00 0.62 S ATOM 1097 CE MET A 70 5.589 1.821 -8.830 1.00 0.80 C ATOM 0 H MET A 70 6.816 -3.190 -9.582 1.00 0.47 H new ATOM 0 HA MET A 70 8.466 -2.385 -7.418 1.00 0.40 H new ATOM 0 HB2 MET A 70 5.396 -2.576 -7.510 1.00 0.38 H new ATOM 0 HB3 MET A 70 6.326 -1.568 -6.419 1.00 0.38 H new ATOM 0 HG2 MET A 70 7.176 -0.226 -8.298 1.00 0.66 H new ATOM 0 HG3 MET A 70 6.411 -1.295 -9.457 1.00 0.66 H new ATOM 0 HE1 MET A 70 4.959 2.376 -9.525 1.00 0.80 H new ATOM 0 HE2 MET A 70 5.690 2.385 -7.903 1.00 0.80 H new ATOM 0 HE3 MET A 70 6.574 1.672 -9.272 1.00 0.80 H new ATOM 1107 N LYS A 71 6.456 -4.927 -6.641 1.00 0.15 N ATOM 1108 CA LYS A 71 6.332 -6.082 -5.688 1.00 0.29 C ATOM 1109 C LYS A 71 7.699 -6.721 -5.384 1.00 0.50 C ATOM 1110 O LYS A 71 8.152 -6.771 -4.254 1.00 0.64 O ATOM 1111 CB LYS A 71 5.360 -7.097 -6.320 1.00 0.27 C ATOM 1112 CG LYS A 71 3.921 -6.741 -5.874 1.00 0.36 C ATOM 1113 CD LYS A 71 3.554 -7.761 -4.754 1.00 3.13 C ATOM 1114 CE LYS A 71 2.422 -7.280 -3.866 1.00 3.68 C ATOM 1115 NZ LYS A 71 3.000 -6.297 -2.896 1.00 5.48 N ATOM 0 H LYS A 71 5.694 -4.841 -7.314 1.00 0.15 H new ATOM 0 HA LYS A 71 5.947 -5.736 -4.729 1.00 0.29 H new ATOM 0 HB2 LYS A 71 5.438 -7.070 -7.407 1.00 0.27 H new ATOM 0 HB3 LYS A 71 5.614 -8.110 -6.008 1.00 0.27 H new ATOM 0 HG2 LYS A 71 3.870 -5.718 -5.502 1.00 0.36 H new ATOM 0 HG3 LYS A 71 3.225 -6.812 -6.710 1.00 0.36 H new ATOM 0 HD2 LYS A 71 3.272 -8.710 -5.211 1.00 3.13 H new ATOM 0 HD3 LYS A 71 4.434 -7.952 -4.140 1.00 3.13 H new ATOM 0 HE2 LYS A 71 1.638 -6.814 -4.463 1.00 3.68 H new ATOM 0 HE3 LYS A 71 1.966 -8.118 -3.338 1.00 3.68 H new ATOM 0 HZ1 LYS A 71 2.706 -6.548 -1.931 1.00 5.48 H new ATOM 0 HZ2 LYS A 71 4.038 -6.317 -2.958 1.00 5.48 H new ATOM 0 HZ3 LYS A 71 2.658 -5.342 -3.125 1.00 5.48 H new ATOM 1129 N ALA A 72 8.326 -7.160 -6.437 1.00 0.53 N ATOM 1130 CA ALA A 72 9.659 -7.801 -6.272 1.00 0.68 C ATOM 1131 C ALA A 72 10.648 -6.704 -5.818 1.00 0.72 C ATOM 1132 O ALA A 72 11.293 -6.915 -4.819 1.00 1.20 O ATOM 1133 CB ALA A 72 10.031 -8.424 -7.633 1.00 0.71 C ATOM 0 H ALA A 72 7.979 -7.104 -7.395 1.00 0.53 H new ATOM 0 HA ALA A 72 9.674 -8.591 -5.522 1.00 0.68 H new ATOM 0 HB1 ALA A 72 11.005 -8.907 -7.558 1.00 0.71 H new ATOM 0 HB2 ALA A 72 9.280 -9.163 -7.912 1.00 0.71 H new ATOM 0 HB3 ALA A 72 10.071 -7.643 -8.392 1.00 0.71 H new ATOM 1139 N TYR A 73 10.779 -5.580 -6.485 1.00 0.41 N ATOM 1140 CA TYR A 73 11.741 -4.510 -6.039 1.00 0.40 C ATOM 1141 C TYR A 73 11.719 -4.377 -4.530 1.00 0.32 C ATOM 1142 O TYR A 73 12.759 -4.412 -3.916 1.00 0.34 O ATOM 1143 CB TYR A 73 11.347 -3.179 -6.700 1.00 0.32 C ATOM 1144 CG TYR A 73 12.240 -2.004 -6.232 1.00 0.27 C ATOM 1145 CD1 TYR A 73 13.423 -1.731 -6.887 1.00 0.25 C ATOM 1146 CD2 TYR A 73 11.879 -1.197 -5.162 1.00 0.29 C ATOM 1147 CE1 TYR A 73 14.223 -0.678 -6.487 1.00 0.27 C ATOM 1148 CE2 TYR A 73 12.690 -0.143 -4.772 1.00 0.27 C ATOM 1149 CZ TYR A 73 13.866 0.120 -5.434 1.00 0.27 C ATOM 1150 OH TYR A 73 14.661 1.171 -5.026 1.00 0.29 O ATOM 0 H TYR A 73 10.255 -5.353 -7.330 1.00 0.41 H new ATOM 0 HA TYR A 73 12.753 -4.781 -6.340 1.00 0.40 H new ATOM 0 HB2 TYR A 73 11.419 -3.278 -7.783 1.00 0.32 H new ATOM 0 HB3 TYR A 73 10.305 -2.955 -6.469 1.00 0.32 H new ATOM 0 HD1 TYR A 73 13.727 -2.347 -7.721 1.00 0.25 H new ATOM 0 HD2 TYR A 73 10.960 -1.392 -4.630 1.00 0.29 H new ATOM 0 HE1 TYR A 73 15.145 -0.481 -7.014 1.00 0.27 H new ATOM 0 HE2 TYR A 73 12.395 0.478 -3.939 1.00 0.27 H new ATOM 0 HH TYR A 73 15.307 1.386 -5.731 1.00 0.29 H new ATOM 1160 N ILE A 74 10.533 -4.241 -4.003 1.00 0.31 N ATOM 1161 CA ILE A 74 10.319 -4.096 -2.537 1.00 0.28 C ATOM 1162 C ILE A 74 10.890 -5.300 -1.806 1.00 0.40 C ATOM 1163 O ILE A 74 11.714 -5.146 -0.934 1.00 0.46 O ATOM 1164 CB ILE A 74 8.830 -3.983 -2.295 1.00 0.21 C ATOM 1165 CG1 ILE A 74 8.313 -2.673 -2.884 1.00 0.12 C ATOM 1166 CG2 ILE A 74 8.626 -3.956 -0.759 1.00 0.27 C ATOM 1167 CD1 ILE A 74 6.792 -2.673 -2.759 1.00 0.11 C ATOM 0 H ILE A 74 9.673 -4.224 -4.551 1.00 0.31 H new ATOM 0 HA ILE A 74 10.826 -3.207 -2.162 1.00 0.28 H new ATOM 0 HB ILE A 74 8.297 -4.814 -2.757 1.00 0.21 H new ATOM 0 HG12 ILE A 74 8.740 -1.821 -2.354 1.00 0.12 H new ATOM 0 HG13 ILE A 74 8.610 -2.580 -3.929 1.00 0.12 H new ATOM 0 HG21 ILE A 74 7.562 -3.875 -0.535 1.00 0.27 H new ATOM 0 HG22 ILE A 74 9.020 -4.874 -0.323 1.00 0.27 H new ATOM 0 HG23 ILE A 74 9.152 -3.100 -0.337 1.00 0.27 H new ATOM 0 HD11 ILE A 74 6.393 -1.747 -3.173 1.00 0.11 H new ATOM 0 HD12 ILE A 74 6.382 -3.521 -3.307 1.00 0.11 H new ATOM 0 HD13 ILE A 74 6.513 -2.751 -1.708 1.00 0.11 H new ATOM 1179 N ASP A 75 10.425 -6.455 -2.185 1.00 0.50 N ATOM 1180 CA ASP A 75 10.894 -7.730 -1.571 1.00 0.58 C ATOM 1181 C ASP A 75 12.422 -7.899 -1.727 1.00 0.52 C ATOM 1182 O ASP A 75 13.127 -8.526 -0.955 1.00 0.46 O ATOM 1183 CB ASP A 75 10.063 -8.790 -2.285 1.00 0.73 C ATOM 1184 CG ASP A 75 8.784 -9.040 -1.505 1.00 0.92 C ATOM 1185 OD1 ASP A 75 8.958 -9.499 -0.389 1.00 2.39 O ATOM 1186 OD2 ASP A 75 7.740 -8.761 -2.078 1.00 1.86 O ATOM 0 H ASP A 75 9.721 -6.573 -2.914 1.00 0.50 H new ATOM 0 HA ASP A 75 10.752 -7.786 -0.492 1.00 0.58 H new ATOM 0 HB2 ASP A 75 9.826 -8.461 -3.297 1.00 0.73 H new ATOM 0 HB3 ASP A 75 10.633 -9.715 -2.375 1.00 0.73 H new ATOM 1191 N LYS A 76 12.905 -7.289 -2.765 1.00 0.52 N ATOM 1192 CA LYS A 76 14.352 -7.346 -3.062 1.00 0.37 C ATOM 1193 C LYS A 76 14.900 -6.401 -1.991 1.00 0.30 C ATOM 1194 O LYS A 76 15.741 -6.811 -1.234 1.00 0.39 O ATOM 1195 CB LYS A 76 14.538 -6.860 -4.493 1.00 0.46 C ATOM 1196 CG LYS A 76 15.894 -7.343 -4.986 1.00 0.64 C ATOM 1197 CD LYS A 76 15.688 -8.752 -5.630 1.00 1.31 C ATOM 1198 CE LYS A 76 16.983 -9.190 -6.273 1.00 0.99 C ATOM 1199 NZ LYS A 76 17.938 -9.499 -5.190 1.00 2.07 N ATOM 0 H LYS A 76 12.350 -6.747 -3.428 1.00 0.52 H new ATOM 0 HA LYS A 76 14.848 -8.316 -3.023 1.00 0.37 H new ATOM 0 HB2 LYS A 76 13.742 -7.244 -5.131 1.00 0.46 H new ATOM 0 HB3 LYS A 76 14.483 -5.772 -4.535 1.00 0.46 H new ATOM 0 HG2 LYS A 76 16.307 -6.646 -5.715 1.00 0.64 H new ATOM 0 HG3 LYS A 76 16.604 -7.399 -4.161 1.00 0.64 H new ATOM 0 HD2 LYS A 76 15.381 -9.472 -4.871 1.00 1.31 H new ATOM 0 HD3 LYS A 76 14.892 -8.714 -6.374 1.00 1.31 H new ATOM 0 HE2 LYS A 76 16.821 -10.065 -6.902 1.00 0.99 H new ATOM 0 HE3 LYS A 76 17.376 -8.403 -6.917 1.00 0.99 H new ATOM 0 HZ1 LYS A 76 18.530 -10.307 -5.470 1.00 2.07 H new ATOM 0 HZ2 LYS A 76 18.542 -8.671 -5.013 1.00 2.07 H new ATOM 0 HZ3 LYS A 76 17.415 -9.737 -4.323 1.00 2.07 H new ATOM 1213 N VAL A 77 14.453 -5.180 -1.921 1.00 0.18 N ATOM 1214 CA VAL A 77 14.968 -4.253 -0.858 1.00 0.12 C ATOM 1215 C VAL A 77 14.877 -5.026 0.483 1.00 0.25 C ATOM 1216 O VAL A 77 15.885 -5.235 1.133 1.00 0.18 O ATOM 1217 CB VAL A 77 14.095 -2.976 -0.824 1.00 0.13 C ATOM 1218 CG1 VAL A 77 14.639 -2.041 0.270 1.00 0.13 C ATOM 1219 CG2 VAL A 77 14.223 -2.231 -2.161 1.00 0.21 C ATOM 0 H VAL A 77 13.756 -4.778 -2.548 1.00 0.18 H new ATOM 0 HA VAL A 77 15.996 -3.944 -1.048 1.00 0.12 H new ATOM 0 HB VAL A 77 13.058 -3.253 -0.636 1.00 0.13 H new ATOM 0 HG11 VAL A 77 14.035 -1.135 0.308 1.00 0.13 H new ATOM 0 HG12 VAL A 77 14.596 -2.546 1.235 1.00 0.13 H new ATOM 0 HG13 VAL A 77 15.672 -1.779 0.044 1.00 0.13 H new ATOM 0 HG21 VAL A 77 13.608 -1.332 -2.137 1.00 0.21 H new ATOM 0 HG22 VAL A 77 15.264 -1.954 -2.325 1.00 0.21 H new ATOM 0 HG23 VAL A 77 13.888 -2.878 -2.972 1.00 0.21 H new ATOM 1229 N GLU A 78 13.696 -5.439 0.883 1.00 0.44 N ATOM 1230 CA GLU A 78 13.547 -6.195 2.152 1.00 0.61 C ATOM 1231 C GLU A 78 14.540 -7.377 2.290 1.00 0.74 C ATOM 1232 O GLU A 78 15.040 -7.575 3.381 1.00 0.93 O ATOM 1233 CB GLU A 78 12.045 -6.605 2.211 1.00 0.83 C ATOM 1234 CG GLU A 78 11.315 -5.486 3.092 1.00 0.97 C ATOM 1235 CD GLU A 78 9.811 -5.669 3.362 1.00 2.33 C ATOM 1236 OE1 GLU A 78 9.290 -6.741 3.108 1.00 3.81 O ATOM 1237 OE2 GLU A 78 9.284 -4.672 3.836 1.00 3.41 O ATOM 0 H GLU A 78 12.826 -5.279 0.374 1.00 0.44 H new ATOM 0 HA GLU A 78 13.811 -5.583 3.014 1.00 0.61 H new ATOM 0 HB2 GLU A 78 11.615 -6.656 1.211 1.00 0.83 H new ATOM 0 HB3 GLU A 78 11.927 -7.592 2.659 1.00 0.83 H new ATOM 0 HG2 GLU A 78 11.825 -5.428 4.053 1.00 0.97 H new ATOM 0 HG3 GLU A 78 11.454 -4.524 2.598 1.00 0.97 H new ATOM 1244 N GLU A 79 14.833 -8.125 1.255 1.00 0.74 N ATOM 1245 CA GLU A 79 15.801 -9.246 1.424 1.00 0.94 C ATOM 1246 C GLU A 79 17.213 -8.592 1.477 1.00 0.65 C ATOM 1247 O GLU A 79 18.039 -9.025 2.253 1.00 0.57 O ATOM 1248 CB GLU A 79 15.617 -10.233 0.227 1.00 1.29 C ATOM 1249 CG GLU A 79 16.832 -10.094 -0.627 1.00 1.96 C ATOM 1250 CD GLU A 79 16.980 -11.084 -1.755 1.00 2.77 C ATOM 1251 OE1 GLU A 79 16.831 -12.263 -1.490 1.00 2.25 O ATOM 1252 OE2 GLU A 79 17.263 -10.597 -2.827 1.00 4.79 O ATOM 0 H GLU A 79 14.450 -8.009 0.317 1.00 0.74 H new ATOM 0 HA GLU A 79 15.651 -9.827 2.334 1.00 0.94 H new ATOM 0 HB2 GLU A 79 15.508 -11.258 0.582 1.00 1.29 H new ATOM 0 HB3 GLU A 79 14.716 -9.994 -0.338 1.00 1.29 H new ATOM 0 HG2 GLU A 79 16.837 -9.090 -1.052 1.00 1.96 H new ATOM 0 HG3 GLU A 79 17.710 -10.174 0.014 1.00 1.96 H new ATOM 1259 N LEU A 80 17.471 -7.594 0.664 1.00 0.51 N ATOM 1260 CA LEU A 80 18.808 -6.907 0.656 1.00 0.31 C ATOM 1261 C LEU A 80 19.079 -6.577 2.090 1.00 0.19 C ATOM 1262 O LEU A 80 20.127 -6.891 2.618 1.00 0.19 O ATOM 1263 CB LEU A 80 18.741 -5.625 -0.197 1.00 0.21 C ATOM 1264 CG LEU A 80 18.902 -5.945 -1.676 1.00 0.23 C ATOM 1265 CD1 LEU A 80 18.829 -4.618 -2.414 1.00 0.34 C ATOM 1266 CD2 LEU A 80 20.308 -6.513 -1.913 1.00 0.53 C ATOM 0 H LEU A 80 16.801 -7.219 -0.007 1.00 0.51 H new ATOM 0 HA LEU A 80 19.594 -7.529 0.227 1.00 0.31 H new ATOM 0 HB2 LEU A 80 17.788 -5.123 -0.032 1.00 0.21 H new ATOM 0 HB3 LEU A 80 19.524 -4.934 0.117 1.00 0.21 H new ATOM 0 HG LEU A 80 18.143 -6.655 -2.006 1.00 0.23 H new ATOM 0 HD11 LEU A 80 18.939 -4.791 -3.485 1.00 0.34 H new ATOM 0 HD12 LEU A 80 17.866 -4.146 -2.220 1.00 0.34 H new ATOM 0 HD13 LEU A 80 19.629 -3.964 -2.067 1.00 0.34 H new ATOM 0 HD21 LEU A 80 20.433 -6.746 -2.971 1.00 0.53 H new ATOM 0 HD22 LEU A 80 21.053 -5.776 -1.613 1.00 0.53 H new ATOM 0 HD23 LEU A 80 20.438 -7.421 -1.324 1.00 0.53 H new ATOM 1278 N LYS A 81 18.109 -5.927 2.679 1.00 0.25 N ATOM 1279 CA LYS A 81 18.188 -5.534 4.114 1.00 0.39 C ATOM 1280 C LYS A 81 18.756 -6.766 4.869 1.00 0.46 C ATOM 1281 O LYS A 81 19.785 -6.654 5.497 1.00 0.49 O ATOM 1282 CB LYS A 81 16.712 -5.102 4.504 1.00 0.55 C ATOM 1283 CG LYS A 81 16.614 -4.602 5.976 1.00 0.89 C ATOM 1284 CD LYS A 81 15.778 -3.267 6.075 1.00 2.20 C ATOM 1285 CE LYS A 81 14.298 -3.459 5.784 1.00 2.90 C ATOM 1286 NZ LYS A 81 13.663 -2.103 5.792 1.00 5.36 N ATOM 0 H LYS A 81 17.246 -5.647 2.213 1.00 0.25 H new ATOM 0 HA LYS A 81 18.845 -4.699 4.360 1.00 0.39 H new ATOM 0 HB2 LYS A 81 16.377 -4.313 3.831 1.00 0.55 H new ATOM 0 HB3 LYS A 81 16.039 -5.948 4.364 1.00 0.55 H new ATOM 0 HG2 LYS A 81 16.149 -5.371 6.593 1.00 0.89 H new ATOM 0 HG3 LYS A 81 17.615 -4.437 6.373 1.00 0.89 H new ATOM 0 HD2 LYS A 81 15.893 -2.848 7.075 1.00 2.20 H new ATOM 0 HD3 LYS A 81 16.187 -2.538 5.375 1.00 2.20 H new ATOM 0 HE2 LYS A 81 14.156 -3.944 4.818 1.00 2.90 H new ATOM 0 HE3 LYS A 81 13.839 -4.103 6.535 1.00 2.90 H new ATOM 0 HZ1 LYS A 81 13.039 -2.017 6.619 1.00 5.36 H new ATOM 0 HZ2 LYS A 81 14.403 -1.374 5.839 1.00 5.36 H new ATOM 0 HZ3 LYS A 81 13.106 -1.975 4.923 1.00 5.36 H new ATOM 1300 N LYS A 82 18.075 -7.889 4.791 1.00 0.52 N ATOM 1301 CA LYS A 82 18.524 -9.152 5.463 1.00 0.59 C ATOM 1302 C LYS A 82 19.990 -9.496 5.195 1.00 0.43 C ATOM 1303 O LYS A 82 20.773 -9.791 6.073 1.00 0.43 O ATOM 1304 CB LYS A 82 17.682 -10.375 4.985 1.00 0.72 C ATOM 1305 CG LYS A 82 16.158 -10.237 5.220 1.00 0.83 C ATOM 1306 CD LYS A 82 15.522 -11.478 4.510 1.00 0.96 C ATOM 1307 CE LYS A 82 14.017 -11.309 4.290 1.00 0.97 C ATOM 1308 NZ LYS A 82 13.639 -12.313 3.234 1.00 1.00 N ATOM 0 H LYS A 82 17.201 -7.983 4.273 1.00 0.52 H new ATOM 0 HA LYS A 82 18.387 -8.961 6.527 1.00 0.59 H new ATOM 0 HB2 LYS A 82 17.860 -10.529 3.921 1.00 0.72 H new ATOM 0 HB3 LYS A 82 18.037 -11.268 5.500 1.00 0.72 H new ATOM 0 HG2 LYS A 82 15.922 -10.228 6.284 1.00 0.83 H new ATOM 0 HG3 LYS A 82 15.777 -9.305 4.801 1.00 0.83 H new ATOM 0 HD2 LYS A 82 16.012 -11.636 3.549 1.00 0.96 H new ATOM 0 HD3 LYS A 82 15.702 -12.370 5.110 1.00 0.96 H new ATOM 0 HE2 LYS A 82 13.465 -11.486 5.213 1.00 0.97 H new ATOM 0 HE3 LYS A 82 13.781 -10.295 3.967 1.00 0.97 H new ATOM 0 HZ1 LYS A 82 12.619 -12.246 3.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 14.171 -12.117 2.362 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 13.865 -13.271 3.569 1.00 1.00 H new ATOM 1322 N LYS A 83 20.268 -9.462 3.928 1.00 0.34 N ATOM 1323 CA LYS A 83 21.638 -9.766 3.369 1.00 0.27 C ATOM 1324 C LYS A 83 22.750 -8.928 3.954 1.00 0.15 C ATOM 1325 O LYS A 83 23.795 -9.422 4.318 1.00 0.10 O ATOM 1326 CB LYS A 83 21.644 -9.560 1.830 1.00 0.26 C ATOM 1327 CG LYS A 83 20.876 -10.675 1.087 1.00 0.27 C ATOM 1328 CD LYS A 83 20.460 -10.100 -0.317 1.00 0.15 C ATOM 1329 CE LYS A 83 20.246 -11.171 -1.414 1.00 0.19 C ATOM 1330 NZ LYS A 83 19.569 -12.385 -0.851 1.00 2.38 N ATOM 0 H LYS A 83 19.579 -9.227 3.214 1.00 0.34 H new ATOM 0 HA LYS A 83 21.833 -10.803 3.642 1.00 0.27 H new ATOM 0 HB2 LYS A 83 21.198 -8.594 1.593 1.00 0.26 H new ATOM 0 HB3 LYS A 83 22.674 -9.531 1.473 1.00 0.26 H new ATOM 0 HG2 LYS A 83 21.501 -11.560 0.970 1.00 0.27 H new ATOM 0 HG3 LYS A 83 19.996 -10.979 1.654 1.00 0.27 H new ATOM 0 HD2 LYS A 83 19.540 -9.527 -0.202 1.00 0.15 H new ATOM 0 HD3 LYS A 83 21.229 -9.404 -0.652 1.00 0.15 H new ATOM 0 HE2 LYS A 83 19.643 -10.755 -2.221 1.00 0.19 H new ATOM 0 HE3 LYS A 83 21.207 -11.452 -1.846 1.00 0.19 H new ATOM 0 HZ1 LYS A 83 18.868 -12.739 -1.533 1.00 2.38 H new ATOM 0 HZ2 LYS A 83 20.278 -13.124 -0.667 1.00 2.38 H new ATOM 0 HZ3 LYS A 83 19.091 -12.135 0.038 1.00 2.38 H new ATOM 1344 N TYR A 84 22.476 -7.666 4.001 1.00 0.17 N ATOM 1345 CA TYR A 84 23.467 -6.731 4.547 1.00 0.08 C ATOM 1346 C TYR A 84 22.989 -6.526 5.956 1.00 0.12 C ATOM 1347 O TYR A 84 23.456 -7.170 6.875 1.00 0.16 O ATOM 1348 CB TYR A 84 23.384 -5.528 3.582 1.00 0.11 C ATOM 1349 CG TYR A 84 23.843 -6.094 2.239 1.00 0.16 C ATOM 1350 CD1 TYR A 84 25.194 -6.278 2.039 1.00 0.12 C ATOM 1351 CD2 TYR A 84 22.952 -6.459 1.239 1.00 0.27 C ATOM 1352 CE1 TYR A 84 25.648 -6.820 0.860 1.00 0.15 C ATOM 1353 CE2 TYR A 84 23.420 -7.001 0.066 1.00 0.29 C ATOM 1354 CZ TYR A 84 24.767 -7.181 -0.123 1.00 0.22 C ATOM 1355 OH TYR A 84 25.239 -7.718 -1.303 1.00 0.27 O ATOM 0 H TYR A 84 21.604 -7.244 3.683 1.00 0.17 H new ATOM 0 HA TYR A 84 24.519 -7.011 4.606 1.00 0.08 H new ATOM 0 HB2 TYR A 84 22.369 -5.134 3.523 1.00 0.11 H new ATOM 0 HB3 TYR A 84 24.025 -4.709 3.909 1.00 0.11 H new ATOM 0 HD1 TYR A 84 25.897 -5.996 2.809 1.00 0.12 H new ATOM 0 HD2 TYR A 84 21.891 -6.317 1.383 1.00 0.27 H new ATOM 0 HE1 TYR A 84 26.708 -6.962 0.708 1.00 0.15 H new ATOM 0 HE2 TYR A 84 22.725 -7.286 -0.710 1.00 0.29 H new ATOM 0 HH TYR A 84 24.570 -8.331 -1.674 1.00 0.27 H new ATOM 1365 N GLY A 85 22.086 -5.608 6.082 1.00 0.23 N ATOM 1366 CA GLY A 85 21.502 -5.309 7.443 1.00 0.40 C ATOM 1367 C GLY A 85 21.651 -3.804 7.763 1.00 0.56 C ATOM 1368 O GLY A 85 22.659 -3.354 8.281 1.00 0.60 O ATOM 0 H GLY A 85 21.717 -5.044 5.316 1.00 0.23 H new ATOM 0 HA2 GLY A 85 20.450 -5.592 7.466 1.00 0.40 H new ATOM 0 HA3 GLY A 85 22.009 -5.903 8.204 1.00 0.40 H new ATOM 1372 N ILE A 86 20.634 -3.041 7.452 1.00 0.73 N ATOM 1373 CA ILE A 86 20.684 -1.560 7.719 1.00 0.95 C ATOM 1374 C ILE A 86 20.388 -1.261 9.217 1.00 1.65 C ATOM 1375 O ILE A 86 19.803 -2.122 9.848 1.00 1.89 O ATOM 1376 CB ILE A 86 19.635 -0.841 6.761 1.00 0.71 C ATOM 1377 CG1 ILE A 86 19.514 0.669 7.134 1.00 0.98 C ATOM 1378 CG2 ILE A 86 18.244 -1.491 6.871 1.00 1.31 C ATOM 1379 CD1 ILE A 86 18.589 1.450 6.146 1.00 1.03 C ATOM 1380 OXT ILE A 86 20.773 -0.183 9.651 1.00 1.98 O ATOM 0 H ILE A 86 19.769 -3.373 7.025 1.00 0.73 H new ATOM 0 HA ILE A 86 21.682 -1.175 7.511 1.00 0.95 H new ATOM 0 HB ILE A 86 19.996 -0.946 5.738 1.00 0.71 H new ATOM 0 HG12 ILE A 86 19.121 0.761 8.146 1.00 0.98 H new ATOM 0 HG13 ILE A 86 20.506 1.122 7.135 1.00 0.98 H new ATOM 0 HG21 ILE A 86 17.549 -0.979 6.205 1.00 1.31 H new ATOM 0 HG22 ILE A 86 18.310 -2.542 6.588 1.00 1.31 H new ATOM 0 HG23 ILE A 86 17.886 -1.414 7.898 1.00 1.31 H new ATOM 0 HD11 ILE A 86 18.536 2.496 6.447 1.00 1.03 H new ATOM 0 HD12 ILE A 86 18.995 1.383 5.137 1.00 1.03 H new ATOM 0 HD13 ILE A 86 17.589 1.016 6.164 1.00 1.03 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 17.009 2.760 -6.285 1.00 0.64 N HETATM 1394 C2A COA A 87 17.443 2.613 -7.542 1.00 0.47 C HETATM 1395 N3A COA A 87 18.023 3.546 -8.307 1.00 0.62 N HETATM 1396 C4A COA A 87 18.152 4.744 -7.672 1.00 0.52 C HETATM 1397 C5A COA A 87 17.755 5.037 -6.396 1.00 0.54 C HETATM 1398 C6A COA A 87 17.157 3.963 -5.689 1.00 0.76 C HETATM 1399 N6A COA A 87 16.734 4.067 -4.441 1.00 1.15 N HETATM 1400 N7A COA A 87 18.043 6.365 -6.092 1.00 0.57 N HETATM 1401 C8A COA A 87 18.598 6.815 -7.186 1.00 0.49 C HETATM 1402 N9A COA A 87 18.697 5.887 -8.185 1.00 0.68 N HETATM 1403 C1B COA A 87 19.288 5.999 -9.527 1.00 1.13 C HETATM 1404 C2B COA A 87 19.312 7.404 -10.138 1.00 1.19 C HETATM 1405 O2B COA A 87 18.162 7.658 -10.958 1.00 1.79 O HETATM 1406 C3B COA A 87 20.521 7.239 -11.041 1.00 1.35 C HETATM 1407 O3B COA A 87 20.114 6.401 -12.213 1.00 2.12 O HETATM 1408 P3B COA A 87 20.875 6.141 -13.634 1.00 1.11 P HETATM 1409 O7A COA A 87 21.828 7.252 -13.724 1.00 2.59 O HETATM 1410 O8A COA A 87 19.746 6.146 -14.603 1.00 3.37 O HETATM 1411 O9A COA A 87 21.477 4.788 -13.497 1.00 2.40 O HETATM 1412 C4B COA A 87 21.470 6.503 -10.059 1.00 1.21 C HETATM 1413 O4B COA A 87 20.642 5.595 -9.334 1.00 1.16 O HETATM 1414 C5B COA A 87 22.205 7.364 -8.920 1.00 0.74 C HETATM 1415 O5B COA A 87 21.416 8.030 -7.879 1.00 0.25 O HETATM 1416 P1A COA A 87 21.348 9.625 -7.466 1.00 0.59 P HETATM 1417 O1A COA A 87 20.437 9.687 -6.298 1.00 0.60 O HETATM 1418 O2A COA A 87 20.946 10.364 -8.676 1.00 1.38 O HETATM 1419 O3A COA A 87 22.738 10.199 -7.071 1.00 1.89 O HETATM 1420 P2A COA A 87 23.342 9.709 -5.737 1.00 1.94 P HETATM 1421 O4A COA A 87 24.655 10.350 -5.557 1.00 2.41 O HETATM 1422 O5A COA A 87 22.357 9.714 -4.641 1.00 1.96 O HETATM 1423 O6A COA A 87 23.564 8.161 -6.026 1.00 3.05 O HETATM 1424 CBP COA A 87 24.969 6.132 -5.930 1.00 3.30 C HETATM 1425 CCP COA A 87 24.543 7.447 -5.267 1.00 3.36 C HETATM 1426 CDP COA A 87 25.509 6.433 -7.321 1.00 3.29 C HETATM 1427 CEP COA A 87 23.777 5.177 -6.093 1.00 3.35 C HETATM 1428 CAP COA A 87 26.078 5.484 -5.069 1.00 3.38 C HETATM 1429 OAP COA A 87 25.429 5.253 -3.809 1.00 3.10 O HETATM 1430 C9P COA A 87 26.672 4.197 -5.687 1.00 5.86 C HETATM 1431 O9P COA A 87 27.058 4.055 -6.829 1.00 8.08 O HETATM 1432 N8P COA A 87 26.740 3.282 -4.782 1.00 5.31 N HETATM 1433 C7P COA A 87 27.259 1.907 -4.996 1.00 7.22 C HETATM 1434 C6P COA A 87 28.650 1.871 -4.320 1.00 7.20 C HETATM 1435 C5P COA A 87 28.612 2.477 -2.922 1.00 4.55 C HETATM 1436 O5P COA A 87 29.597 3.031 -2.483 1.00 4.80 O HETATM 1437 N4P COA A 87 27.493 2.334 -2.261 1.00 2.42 N HETATM 1438 C3P COA A 87 27.311 2.892 -0.880 1.00 0.54 C HETATM 1439 C2P COA A 87 26.221 3.991 -1.001 1.00 2.22 C HETATM 1440 S1P COA A 87 24.474 3.495 -1.014 1.00 3.95 S HETATM 0 HO2A COA A 87 18.280 7.225 -11.829 1.00 1.79 H new HETATM 0 H62A COA A 87 16.822 4.954 -3.945 1.00 1.15 H new HETATM 0 H61A COA A 87 16.319 3.260 -3.974 1.00 1.15 H new HETATM 0 H52A COA A 87 22.910 6.702 -8.418 1.00 0.74 H new HETATM 0 H51A COA A 87 22.792 8.132 -9.423 1.00 0.74 H new HETATM 0 H143 COA A 87 23.356 4.950 -5.114 1.00 3.35 H new HETATM 0 H142 COA A 87 23.016 5.648 -6.715 1.00 3.35 H new HETATM 0 H141 COA A 87 24.112 4.254 -6.566 1.00 3.35 H new HETATM 0 H133 COA A 87 24.732 6.911 -7.917 1.00 3.29 H new HETATM 0 H132 COA A 87 26.367 7.100 -7.242 1.00 3.29 H new HETATM 0 H131 COA A 87 25.815 5.504 -7.801 1.00 3.29 H new HETATM 0 H122 COA A 87 25.420 8.079 -5.129 1.00 3.36 H new HETATM 0 H121 COA A 87 24.143 7.235 -4.275 1.00 3.36 H new HETATM 0 HO1 COA A 87 25.587 6.016 -3.215 1.00 3.10 H new HETATM 0 HN8 COA A 87 26.412 3.521 -3.846 1.00 5.31 H new HETATM 0 HN4 COA A 87 26.722 1.829 -2.697 1.00 2.42 H new HETATM 0 H8A COA A 87 18.951 7.841 -7.293 1.00 0.49 H new HETATM 0 H72 COA A 87 26.592 1.165 -4.558 1.00 7.22 H new HETATM 0 H71 COA A 87 27.335 1.679 -6.059 1.00 7.22 H new HETATM 0 H62 COA A 87 28.999 0.840 -4.261 1.00 7.20 H new HETATM 0 H61 COA A 87 29.367 2.416 -4.934 1.00 7.20 H new HETATM 0 H4B COA A 87 22.262 6.099 -10.689 1.00 1.21 H new HETATM 0 H3B COA A 87 20.964 8.137 -11.473 1.00 1.35 H new HETATM 0 H32 COA A 87 27.004 2.113 -0.182 1.00 0.54 H new HETATM 0 H31 COA A 87 28.244 3.309 -0.502 1.00 0.54 H new HETATM 0 H2B COA A 87 19.332 8.212 -9.407 1.00 1.19 H new HETATM 0 H2A COA A 87 17.310 1.629 -7.991 1.00 0.47 H new HETATM 0 H22 COA A 87 26.360 4.686 -0.173 1.00 2.22 H new HETATM 0 H21 COA A 87 26.413 4.546 -1.919 1.00 2.22 H new HETATM 0 H1B COA A 87 18.689 5.406 -10.218 1.00 1.13 H new HETATM 0 H10 COA A 87 26.955 6.125 -4.981 1.00 3.38 H new HETATM 1472 C1 PLM A 88 24.551 2.118 -2.189 1.00 1.79 C HETATM 1473 O2 PLM A 88 25.089 1.053 -1.953 1.00 2.98 O HETATM 1474 C2 PLM A 88 23.905 2.354 -3.552 1.00 0.77 C HETATM 1475 C3 PLM A 88 22.798 1.303 -3.825 1.00 0.76 C HETATM 1476 C4 PLM A 88 22.225 1.725 -5.206 1.00 1.29 C HETATM 1477 C5 PLM A 88 21.125 0.841 -5.772 1.00 0.91 C HETATM 1478 C6 PLM A 88 20.350 1.638 -6.882 1.00 1.52 C HETATM 1479 C7 PLM A 88 21.164 1.984 -8.194 1.00 1.43 C HETATM 1480 C8 PLM A 88 22.229 3.081 -7.966 1.00 2.57 C HETATM 1481 C9 PLM A 88 22.887 3.545 -9.287 1.00 1.63 C HETATM 1482 CA PLM A 88 23.621 2.400 -10.046 1.00 0.47 C HETATM 1483 CB PLM A 88 24.602 1.600 -9.136 1.00 0.65 C HETATM 1484 CC PLM A 88 25.297 0.431 -9.924 1.00 0.74 C HETATM 1485 CD PLM A 88 24.209 -0.380 -10.665 1.00 0.62 C HETATM 1486 CE PLM A 88 24.565 -1.801 -11.031 1.00 0.41 C HETATM 1487 CF PLM A 88 25.932 -2.016 -11.710 1.00 0.34 C HETATM 1488 CG PLM A 88 25.832 -3.454 -12.140 1.00 0.65 C HETATM 0 HG3 PLM A 88 25.682 -4.086 -11.265 1.00 0.65 H new HETATM 0 HG2 PLM A 88 24.990 -3.572 -12.821 1.00 0.65 H new HETATM 0 HG1 PLM A 88 26.752 -3.747 -12.646 1.00 0.65 H new HETATM 0 HF2 PLM A 88 26.080 -1.345 -12.556 1.00 0.34 H new HETATM 0 HF1 PLM A 88 26.762 -1.850 -11.023 1.00 0.34 H new HETATM 0 HE2 PLM A 88 24.537 -2.404 -10.123 1.00 0.41 H new HETATM 0 HE1 PLM A 88 23.791 -2.186 -11.694 1.00 0.41 H new HETATM 0 HD2 PLM A 88 23.315 -0.401 -10.042 1.00 0.62 H new HETATM 0 HD1 PLM A 88 23.948 0.153 -11.579 1.00 0.62 H new HETATM 0 HC2 PLM A 88 26.020 0.831 -10.635 1.00 0.74 H new HETATM 0 HC1 PLM A 88 25.847 -0.213 -9.238 1.00 0.74 H new HETATM 0 HB2 PLM A 88 25.361 2.273 -8.738 1.00 0.65 H new HETATM 0 HB1 PLM A 88 24.059 1.193 -8.284 1.00 0.65 H new HETATM 0 HA2 PLM A 88 22.882 1.716 -10.464 1.00 0.47 H new HETATM 0 HA1 PLM A 88 24.174 2.823 -10.884 1.00 0.47 H new HETATM 0 H92 PLM A 88 22.121 3.969 -9.937 1.00 1.63 H new HETATM 0 H91 PLM A 88 23.598 4.342 -9.070 1.00 1.63 H new HETATM 0 H82 PLM A 88 21.767 3.936 -7.473 1.00 2.57 H new HETATM 0 H81 PLM A 88 22.998 2.703 -7.293 1.00 2.57 H new HETATM 0 H72 PLM A 88 21.652 1.081 -8.562 1.00 1.43 H new HETATM 0 H71 PLM A 88 20.472 2.311 -8.970 1.00 1.43 H new HETATM 0 H62 PLM A 88 19.471 1.060 -7.167 1.00 1.52 H new HETATM 0 H61 PLM A 88 19.991 2.570 -6.446 1.00 1.52 H new HETATM 0 H52 PLM A 88 21.552 -0.070 -6.191 1.00 0.91 H new HETATM 0 H51 PLM A 88 20.441 0.537 -4.980 1.00 0.91 H new HETATM 0 H42 PLM A 88 21.839 2.741 -5.121 1.00 1.29 H new HETATM 0 H41 PLM A 88 23.045 1.754 -5.923 1.00 1.29 H new HETATM 0 H32 PLM A 88 23.203 0.292 -3.851 1.00 0.76 H new HETATM 0 H31 PLM A 88 22.031 1.319 -3.051 1.00 0.76 H new HETATM 0 H22 PLM A 88 23.478 3.356 -3.589 1.00 0.77 H new HETATM 0 H21 PLM A 88 24.663 2.302 -4.333 1.00 0.77 H new