USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 861 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: A 53 THR OG1 : rot 28:sc= 0.488 USER MOD Set 1.2: A 88 HIS : no HD1:sc=-0.00462 K(o=0.48,f=-0.12) USER MOD Set 2.1: A 9 HIS : no HD1:sc= -0.366 K(o=-0.37,f=0.92) USER MOD Set 2.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.162 (180deg=-0.764) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 7 HIS : no HD1:sc= -0.0744 X(o=-0.074,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 40:sc= 0.224 USER MOD Single : A 16 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.52) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.43) USER MOD Single : A 22 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.59) USER MOD Single : A 23 MET CE :methyl -167:sc= -0.0406 (180deg=-0.292) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.451 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.12 (180deg=1.04) USER MOD Single : A 32 LYS NZ :NH3+ -104:sc= 1.17 (180deg=0.63) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 76:sc= 0.49 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 150:sc= -0.432 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0341 (180deg=-0.26) USER MOD Single : A 48 SER OG : rot -126:sc= 1.32 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 0:sc= 0.217 USER MOD Single : A 54 SER OG : rot 72:sc= 0.977 USER MOD Single : A 61 SER OG : rot 129:sc= 1.2 USER MOD Single : A 62 ASN : amide:sc= -2.18! K(o=-2.2!,f=-1.1) USER MOD Single : A 63 ASN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 142:sc= -1.95! (180deg=-4.31!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 78 THR OG1 : rot 70:sc= 0.835 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.26) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -92:sc= 1.24 USER MOD Single : A 92 MET CE :methyl -158:sc= -0.171 (180deg=-0.688) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0.136 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 68:sc= 0.428 USER MOD Single : A 102 LYS NZ :NH3+ -168:sc= 1.01 (180deg=0.828) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= 0.331 (180deg=0.259) USER MOD Single : A 108 SER OG : rot 39:sc= 0.585 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.068 39.654 11.569 1.00 34.77 N ATOM 2 CA MET A 1 16.831 38.708 12.410 1.00 34.67 C ATOM 3 C MET A 1 15.949 37.540 12.829 1.00 34.12 C ATOM 4 O MET A 1 14.945 37.722 13.519 1.00 34.13 O ATOM 5 CB MET A 1 17.368 39.418 13.656 1.00 35.09 C ATOM 6 CG MET A 1 18.143 38.501 14.589 1.00 35.29 C ATOM 7 SD MET A 1 18.663 39.326 16.105 1.00 35.98 S ATOM 8 CE MET A 1 17.076 39.724 16.838 1.00 36.14 C ATOM 0 H1 MET A 1 16.683 40.445 11.291 1.00 34.77 H new ATOM 0 H2 MET A 1 15.727 39.164 10.717 1.00 34.77 H new ATOM 0 H3 MET A 1 15.256 40.019 12.106 1.00 34.77 H new ATOM 0 HA MET A 1 17.669 38.329 11.825 1.00 34.67 H new ATOM 0 HB2 MET A 1 18.015 40.239 13.346 1.00 35.09 H new ATOM 0 HB3 MET A 1 16.533 39.858 14.202 1.00 35.09 H new ATOM 0 HG2 MET A 1 17.524 37.641 14.843 1.00 35.29 H new ATOM 0 HG3 MET A 1 19.021 38.119 14.069 1.00 35.29 H new ATOM 0 HE1 MET A 1 17.109 39.524 17.909 1.00 36.14 H new ATOM 0 HE2 MET A 1 16.853 40.778 16.672 1.00 36.14 H new ATOM 0 HE3 MET A 1 16.299 39.112 16.379 1.00 36.14 H new ATOM 20 N GLY A 2 16.325 36.346 12.399 1.00 33.70 N ATOM 21 CA GLY A 2 15.581 35.157 12.753 1.00 33.20 C ATOM 22 C GLY A 2 16.299 33.895 12.325 1.00 32.51 C ATOM 23 O GLY A 2 17.506 33.754 12.537 1.00 32.38 O ATOM 0 H GLY A 2 17.138 36.179 11.807 1.00 33.70 H new ATOM 0 HA2 GLY A 2 15.421 35.136 13.831 1.00 33.20 H new ATOM 0 HA3 GLY A 2 14.597 35.192 12.285 1.00 33.20 H new ATOM 27 N SER A 3 15.566 32.979 11.720 1.00 32.14 N ATOM 28 CA SER A 3 16.141 31.734 11.242 1.00 31.53 C ATOM 29 C SER A 3 16.163 31.715 9.718 1.00 30.66 C ATOM 30 O SER A 3 15.362 32.389 9.068 1.00 30.36 O ATOM 31 CB SER A 3 15.335 30.549 11.781 1.00 31.79 C ATOM 32 OG SER A 3 15.216 30.620 13.193 1.00 32.35 O ATOM 0 H SER A 3 14.565 33.074 11.547 1.00 32.14 H new ATOM 0 HA SER A 3 17.167 31.654 11.602 1.00 31.53 H new ATOM 0 HB2 SER A 3 14.344 30.542 11.328 1.00 31.79 H new ATOM 0 HB3 SER A 3 15.821 29.615 11.499 1.00 31.79 H new ATOM 0 HG SER A 3 14.696 29.855 13.516 1.00 32.35 H new ATOM 38 N SER A 4 17.093 30.964 9.152 1.00 30.35 N ATOM 39 CA SER A 4 17.187 30.824 7.711 1.00 29.61 C ATOM 40 C SER A 4 17.544 29.386 7.352 1.00 28.85 C ATOM 41 O SER A 4 18.714 29.001 7.388 1.00 28.81 O ATOM 42 CB SER A 4 18.241 31.781 7.148 1.00 29.84 C ATOM 43 OG SER A 4 18.033 33.106 7.610 1.00 30.38 O ATOM 0 H SER A 4 17.796 30.440 9.673 1.00 30.35 H new ATOM 0 HA SER A 4 16.221 31.074 7.272 1.00 29.61 H new ATOM 0 HB2 SER A 4 19.235 31.443 7.441 1.00 29.84 H new ATOM 0 HB3 SER A 4 18.206 31.764 6.059 1.00 29.84 H new ATOM 0 HG SER A 4 18.721 33.695 7.236 1.00 30.38 H new ATOM 49 N HIS A 5 16.535 28.582 7.047 1.00 28.34 N ATOM 50 CA HIS A 5 16.775 27.204 6.652 1.00 27.68 C ATOM 51 C HIS A 5 17.307 27.177 5.225 1.00 27.14 C ATOM 52 O HIS A 5 16.548 27.281 4.266 1.00 26.86 O ATOM 53 CB HIS A 5 15.494 26.371 6.764 1.00 27.51 C ATOM 54 CG HIS A 5 15.751 24.916 7.000 1.00 27.78 C ATOM 55 ND1 HIS A 5 15.604 23.947 6.032 1.00 27.73 N ATOM 56 CD2 HIS A 5 16.144 24.264 8.121 1.00 28.20 C ATOM 57 CE1 HIS A 5 15.892 22.766 6.546 1.00 28.10 C ATOM 58 NE2 HIS A 5 16.223 22.933 7.810 1.00 28.39 N ATOM 0 H HIS A 5 15.553 28.857 7.065 1.00 28.34 H new ATOM 0 HA HIS A 5 17.514 26.766 7.323 1.00 27.68 H new ATOM 0 HB2 HIS A 5 14.885 26.762 7.579 1.00 27.51 H new ATOM 0 HB3 HIS A 5 14.913 26.486 5.849 1.00 27.51 H new ATOM 0 HD2 HIS A 5 16.356 24.711 9.081 1.00 28.20 H new ATOM 0 HE1 HIS A 5 15.861 21.823 6.020 1.00 28.10 H new ATOM 0 HE2 HIS A 5 16.495 22.190 8.454 1.00 28.39 H new ATOM 67 N HIS A 6 18.619 27.070 5.095 1.00 27.11 N ATOM 68 CA HIS A 6 19.261 27.175 3.791 1.00 26.72 C ATOM 69 C HIS A 6 19.129 25.886 2.988 1.00 26.14 C ATOM 70 O HIS A 6 19.371 24.790 3.499 1.00 26.08 O ATOM 71 CB HIS A 6 20.738 27.586 3.930 1.00 27.14 C ATOM 72 CG HIS A 6 21.534 26.775 4.914 1.00 27.63 C ATOM 73 ND1 HIS A 6 21.900 27.254 6.152 1.00 27.73 N ATOM 74 CD2 HIS A 6 22.048 25.524 4.832 1.00 28.14 C ATOM 75 CE1 HIS A 6 22.600 26.336 6.790 1.00 28.29 C ATOM 76 NE2 HIS A 6 22.703 25.278 6.011 1.00 28.54 N ATOM 0 H HIS A 6 19.260 26.911 5.872 1.00 27.11 H new ATOM 0 HA HIS A 6 18.741 27.958 3.239 1.00 26.72 H new ATOM 0 HB2 HIS A 6 21.214 27.512 2.952 1.00 27.14 H new ATOM 0 HB3 HIS A 6 20.781 28.634 4.227 1.00 27.14 H new ATOM 0 HD2 HIS A 6 21.958 24.848 3.995 1.00 28.14 H new ATOM 0 HE1 HIS A 6 23.017 26.435 7.781 1.00 28.29 H new ATOM 0 HE2 HIS A 6 23.192 24.414 6.247 1.00 28.54 H new ATOM 85 N HIS A 7 18.726 26.032 1.733 1.00 25.80 N ATOM 86 CA HIS A 7 18.614 24.902 0.823 1.00 25.30 C ATOM 87 C HIS A 7 19.633 25.056 -0.299 1.00 24.72 C ATOM 88 O HIS A 7 19.898 26.175 -0.744 1.00 24.71 O ATOM 89 CB HIS A 7 17.188 24.799 0.241 1.00 25.34 C ATOM 90 CG HIS A 7 16.854 25.836 -0.804 1.00 25.73 C ATOM 91 ND1 HIS A 7 16.275 27.053 -0.511 1.00 25.90 N ATOM 92 CD2 HIS A 7 17.027 25.823 -2.149 1.00 26.10 C ATOM 93 CE1 HIS A 7 16.112 27.742 -1.627 1.00 26.34 C ATOM 94 NE2 HIS A 7 16.560 27.018 -2.633 1.00 26.47 N ATOM 0 H HIS A 7 18.470 26.929 1.321 1.00 25.80 H new ATOM 0 HA HIS A 7 18.815 23.984 1.375 1.00 25.30 H new ATOM 0 HB2 HIS A 7 17.060 23.809 -0.196 1.00 25.34 H new ATOM 0 HB3 HIS A 7 16.471 24.882 1.057 1.00 25.34 H new ATOM 0 HD2 HIS A 7 17.454 25.020 -2.731 1.00 26.10 H new ATOM 0 HE1 HIS A 7 15.684 28.731 -1.702 1.00 26.34 H new ATOM 0 HE2 HIS A 7 16.559 27.301 -3.613 1.00 26.47 H new ATOM 103 N HIS A 8 20.214 23.947 -0.737 1.00 24.34 N ATOM 104 CA HIS A 8 21.136 23.965 -1.866 1.00 23.83 C ATOM 105 C HIS A 8 21.467 22.545 -2.307 1.00 23.17 C ATOM 106 O HIS A 8 22.007 21.758 -1.532 1.00 23.09 O ATOM 107 CB HIS A 8 22.429 24.706 -1.506 1.00 23.99 C ATOM 108 CG HIS A 8 23.320 24.957 -2.683 1.00 24.04 C ATOM 109 ND1 HIS A 8 24.368 24.131 -3.027 1.00 24.18 N ATOM 110 CD2 HIS A 8 23.310 25.952 -3.602 1.00 24.09 C ATOM 111 CE1 HIS A 8 24.965 24.608 -4.103 1.00 24.31 C ATOM 112 NE2 HIS A 8 24.342 25.711 -4.474 1.00 24.25 N ATOM 0 H HIS A 8 20.064 23.024 -0.329 1.00 24.34 H new ATOM 0 HA HIS A 8 20.648 24.491 -2.687 1.00 23.83 H new ATOM 0 HB2 HIS A 8 22.175 25.659 -1.042 1.00 23.99 H new ATOM 0 HB3 HIS A 8 22.976 24.126 -0.763 1.00 23.99 H new ATOM 0 HD2 HIS A 8 22.619 26.781 -3.641 1.00 24.09 H new ATOM 0 HE1 HIS A 8 25.820 24.170 -4.597 1.00 24.31 H new ATOM 0 HE2 HIS A 8 24.587 26.290 -5.277 1.00 24.25 H new ATOM 121 N HIS A 9 21.120 22.218 -3.542 1.00 22.79 N ATOM 122 CA HIS A 9 21.482 20.934 -4.122 1.00 22.26 C ATOM 123 C HIS A 9 21.578 21.033 -5.640 1.00 21.56 C ATOM 124 O HIS A 9 20.642 21.466 -6.309 1.00 21.72 O ATOM 125 CB HIS A 9 20.493 19.826 -3.706 1.00 22.51 C ATOM 126 CG HIS A 9 19.044 20.098 -4.015 1.00 22.98 C ATOM 127 ND1 HIS A 9 18.125 20.446 -3.049 1.00 23.33 N ATOM 128 CD2 HIS A 9 18.354 20.047 -5.181 1.00 23.25 C ATOM 129 CE1 HIS A 9 16.937 20.597 -3.606 1.00 23.80 C ATOM 130 NE2 HIS A 9 17.046 20.360 -4.899 1.00 23.76 N ATOM 0 H HIS A 9 20.587 22.826 -4.164 1.00 22.79 H new ATOM 0 HA HIS A 9 22.463 20.662 -3.733 1.00 22.26 H new ATOM 0 HB2 HIS A 9 20.784 18.899 -4.201 1.00 22.51 H new ATOM 0 HB3 HIS A 9 20.592 19.659 -2.633 1.00 22.51 H new ATOM 0 HD2 HIS A 9 18.758 19.805 -6.153 1.00 23.25 H new ATOM 0 HE1 HIS A 9 16.028 20.869 -3.089 1.00 23.80 H new ATOM 0 HE2 HIS A 9 16.285 20.402 -5.577 1.00 23.76 H new ATOM 139 N HIS A 10 22.731 20.667 -6.173 1.00 20.90 N ATOM 140 CA HIS A 10 22.909 20.583 -7.613 1.00 20.28 C ATOM 141 C HIS A 10 22.496 19.191 -8.070 1.00 19.70 C ATOM 142 O HIS A 10 23.280 18.243 -7.991 1.00 19.62 O ATOM 143 CB HIS A 10 24.369 20.871 -7.986 1.00 20.26 C ATOM 144 CG HIS A 10 24.606 21.118 -9.446 1.00 20.06 C ATOM 145 ND1 HIS A 10 24.668 22.381 -9.991 1.00 19.78 N ATOM 146 CD2 HIS A 10 24.833 20.262 -10.468 1.00 20.24 C ATOM 147 CE1 HIS A 10 24.925 22.291 -11.280 1.00 19.80 C ATOM 148 NE2 HIS A 10 25.030 21.016 -11.599 1.00 20.08 N ATOM 0 H HIS A 10 23.559 20.423 -5.630 1.00 20.90 H new ATOM 0 HA HIS A 10 22.288 21.328 -8.111 1.00 20.28 H new ATOM 0 HB2 HIS A 10 24.708 21.741 -7.424 1.00 20.26 H new ATOM 0 HB3 HIS A 10 24.984 20.028 -7.670 1.00 20.26 H new ATOM 0 HD2 HIS A 10 24.855 19.184 -10.406 1.00 20.24 H new ATOM 0 HE1 HIS A 10 25.032 23.122 -11.961 1.00 19.80 H new ATOM 0 HE2 HIS A 10 25.225 20.650 -12.531 1.00 20.08 H new ATOM 157 N SER A 11 21.253 19.067 -8.509 1.00 19.43 N ATOM 158 CA SER A 11 20.682 17.764 -8.817 1.00 19.01 C ATOM 159 C SER A 11 20.115 17.735 -10.232 1.00 18.01 C ATOM 160 O SER A 11 19.196 18.487 -10.564 1.00 18.01 O ATOM 161 CB SER A 11 19.578 17.433 -7.809 1.00 19.28 C ATOM 162 OG SER A 11 20.001 17.692 -6.478 1.00 19.89 O ATOM 0 H SER A 11 20.620 19.852 -8.660 1.00 19.43 H new ATOM 0 HA SER A 11 21.474 17.018 -8.751 1.00 19.01 H new ATOM 0 HB2 SER A 11 18.690 18.024 -8.032 1.00 19.28 H new ATOM 0 HB3 SER A 11 19.296 16.385 -7.906 1.00 19.28 H new ATOM 0 HG SER A 11 19.276 17.473 -5.856 1.00 19.89 H new ATOM 168 N SER A 12 20.662 16.865 -11.062 1.00 17.26 N ATOM 169 CA SER A 12 20.200 16.726 -12.431 1.00 16.34 C ATOM 170 C SER A 12 19.713 15.302 -12.692 1.00 16.15 C ATOM 171 O SER A 12 20.506 14.360 -12.707 1.00 16.20 O ATOM 172 CB SER A 12 21.328 17.094 -13.398 1.00 15.87 C ATOM 173 OG SER A 12 22.528 16.416 -13.061 1.00 15.96 O ATOM 0 H SER A 12 21.430 16.242 -10.810 1.00 17.26 H new ATOM 0 HA SER A 12 19.362 17.404 -12.591 1.00 16.34 H new ATOM 0 HB2 SER A 12 21.036 16.839 -14.417 1.00 15.87 H new ATOM 0 HB3 SER A 12 21.495 18.171 -13.374 1.00 15.87 H new ATOM 0 HG SER A 12 22.319 15.499 -12.786 1.00 15.96 H new ATOM 179 N GLY A 13 18.405 15.146 -12.875 1.00 16.12 N ATOM 180 CA GLY A 13 17.850 13.835 -13.158 1.00 16.13 C ATOM 181 C GLY A 13 16.663 13.495 -12.276 1.00 16.30 C ATOM 182 O GLY A 13 16.778 12.698 -11.349 1.00 16.67 O ATOM 0 H GLY A 13 17.722 15.902 -12.832 1.00 16.12 H new ATOM 0 HA2 GLY A 13 17.544 13.793 -14.203 1.00 16.13 H new ATOM 0 HA3 GLY A 13 18.625 13.081 -13.023 1.00 16.13 H new ATOM 186 N ARG A 14 15.524 14.107 -12.561 1.00 16.15 N ATOM 187 CA ARG A 14 14.293 13.832 -11.818 1.00 16.46 C ATOM 188 C ARG A 14 13.130 13.515 -12.762 1.00 15.51 C ATOM 189 O ARG A 14 12.128 12.931 -12.357 1.00 15.72 O ATOM 190 CB ARG A 14 13.915 15.012 -10.904 1.00 17.13 C ATOM 191 CG ARG A 14 13.747 16.341 -11.630 1.00 17.25 C ATOM 192 CD ARG A 14 15.075 17.061 -11.804 1.00 17.95 C ATOM 193 NE ARG A 14 15.270 17.520 -13.178 1.00 18.07 N ATOM 194 CZ ARG A 14 15.902 18.642 -13.513 1.00 18.64 C ATOM 195 NH1 ARG A 14 16.393 19.445 -12.578 1.00 19.13 N ATOM 196 NH2 ARG A 14 16.041 18.958 -14.792 1.00 18.84 N ATOM 0 H ARG A 14 15.421 14.800 -13.302 1.00 16.15 H new ATOM 0 HA ARG A 14 14.485 12.957 -11.197 1.00 16.46 H new ATOM 0 HB2 ARG A 14 12.985 14.773 -10.389 1.00 17.13 H new ATOM 0 HB3 ARG A 14 14.683 15.124 -10.139 1.00 17.13 H new ATOM 0 HG2 ARG A 14 13.297 16.167 -12.607 1.00 17.25 H new ATOM 0 HG3 ARG A 14 13.060 16.976 -11.071 1.00 17.25 H new ATOM 0 HD2 ARG A 14 15.117 17.914 -11.127 1.00 17.95 H new ATOM 0 HD3 ARG A 14 15.890 16.393 -11.525 1.00 17.95 H new ATOM 0 HE ARG A 14 14.897 16.941 -13.930 1.00 18.07 H new ATOM 0 HH11 ARG A 14 16.288 19.204 -11.592 1.00 19.13 H new ATOM 0 HH12 ARG A 14 16.876 20.303 -12.845 1.00 19.13 H new ATOM 0 HH21 ARG A 14 15.665 18.343 -15.513 1.00 18.84 H new ATOM 0 HH22 ARG A 14 16.524 19.817 -15.056 1.00 18.84 H new ATOM 210 N GLU A 15 13.277 13.883 -14.027 1.00 14.57 N ATOM 211 CA GLU A 15 12.214 13.721 -15.010 1.00 13.69 C ATOM 212 C GLU A 15 12.262 12.339 -15.663 1.00 12.97 C ATOM 213 O GLU A 15 11.502 12.057 -16.589 1.00 12.15 O ATOM 214 CB GLU A 15 12.303 14.816 -16.087 1.00 13.29 C ATOM 215 CG GLU A 15 13.680 14.958 -16.731 1.00 13.12 C ATOM 216 CD GLU A 15 14.623 15.849 -15.938 1.00 13.58 C ATOM 217 OE1 GLU A 15 15.196 15.378 -14.933 1.00 14.07 O ATOM 218 OE2 GLU A 15 14.788 17.028 -16.312 1.00 13.59 O ATOM 0 H GLU A 15 14.130 14.300 -14.399 1.00 14.57 H new ATOM 0 HA GLU A 15 11.263 13.815 -14.485 1.00 13.69 H new ATOM 0 HB2 GLU A 15 11.571 14.602 -16.866 1.00 13.29 H new ATOM 0 HB3 GLU A 15 12.024 15.771 -15.641 1.00 13.29 H new ATOM 0 HG2 GLU A 15 14.128 13.970 -16.838 1.00 13.12 H new ATOM 0 HG3 GLU A 15 13.564 15.365 -17.735 1.00 13.12 H new ATOM 225 N ASN A 16 13.130 11.469 -15.157 1.00 13.44 N ATOM 226 CA ASN A 16 13.293 10.132 -15.729 1.00 13.06 C ATOM 227 C ASN A 16 12.105 9.241 -15.368 1.00 13.07 C ATOM 228 O ASN A 16 11.921 8.168 -15.943 1.00 12.89 O ATOM 229 CB ASN A 16 14.602 9.483 -15.255 1.00 13.83 C ATOM 230 CG ASN A 16 14.603 9.139 -13.775 1.00 14.84 C ATOM 231 OD1 ASN A 16 14.167 8.059 -13.377 1.00 15.24 O ATOM 232 ND2 ASN A 16 15.109 10.045 -12.952 1.00 15.40 N ATOM 0 H ASN A 16 13.730 11.662 -14.355 1.00 13.44 H new ATOM 0 HA ASN A 16 13.335 10.238 -16.813 1.00 13.06 H new ATOM 0 HB2 ASN A 16 14.778 8.575 -15.832 1.00 13.83 H new ATOM 0 HB3 ASN A 16 15.431 10.159 -15.464 1.00 13.83 H new ATOM 0 HD21 ASN A 16 15.147 9.859 -11.950 1.00 15.40 H new ATOM 0 HD22 ASN A 16 15.461 10.929 -13.320 1.00 15.40 H new ATOM 239 N LEU A 17 11.295 9.703 -14.420 1.00 13.46 N ATOM 240 CA LEU A 17 10.103 8.975 -13.995 1.00 13.68 C ATOM 241 C LEU A 17 8.988 9.116 -15.028 1.00 12.77 C ATOM 242 O LEU A 17 8.003 8.378 -15.003 1.00 12.88 O ATOM 243 CB LEU A 17 9.602 9.482 -12.633 1.00 14.64 C ATOM 244 CG LEU A 17 10.427 9.071 -11.404 1.00 15.73 C ATOM 245 CD1 LEU A 17 11.792 9.739 -11.401 1.00 16.13 C ATOM 246 CD2 LEU A 17 9.672 9.409 -10.130 1.00 16.35 C ATOM 0 H LEU A 17 11.444 10.584 -13.928 1.00 13.46 H new ATOM 0 HA LEU A 17 10.377 7.924 -13.902 1.00 13.68 H new ATOM 0 HB2 LEU A 17 9.561 10.571 -12.668 1.00 14.64 H new ATOM 0 HB3 LEU A 17 8.580 9.129 -12.492 1.00 14.64 H new ATOM 0 HG LEU A 17 10.584 7.993 -11.451 1.00 15.73 H new ATOM 0 HD11 LEU A 17 12.348 9.426 -10.518 1.00 16.13 H new ATOM 0 HD12 LEU A 17 12.341 9.449 -12.297 1.00 16.13 H new ATOM 0 HD13 LEU A 17 11.667 10.822 -11.386 1.00 16.13 H new ATOM 0 HD21 LEU A 17 10.266 9.113 -9.265 1.00 16.35 H new ATOM 0 HD22 LEU A 17 9.485 10.482 -10.092 1.00 16.35 H new ATOM 0 HD23 LEU A 17 8.722 8.874 -10.117 1.00 16.35 H new ATOM 258 N TYR A 18 9.148 10.070 -15.935 1.00 12.00 N ATOM 259 CA TYR A 18 8.134 10.345 -16.940 1.00 11.22 C ATOM 260 C TYR A 18 8.532 9.716 -18.268 1.00 10.27 C ATOM 261 O TYR A 18 9.621 9.969 -18.780 1.00 9.92 O ATOM 262 CB TYR A 18 7.941 11.856 -17.098 1.00 11.19 C ATOM 263 CG TYR A 18 7.632 12.561 -15.794 1.00 12.23 C ATOM 264 CD1 TYR A 18 8.655 13.026 -14.979 1.00 12.95 C ATOM 265 CD2 TYR A 18 6.321 12.755 -15.375 1.00 12.64 C ATOM 266 CE1 TYR A 18 8.384 13.663 -13.786 1.00 13.98 C ATOM 267 CE2 TYR A 18 6.041 13.394 -14.180 1.00 13.68 C ATOM 268 CZ TYR A 18 7.079 13.846 -13.389 1.00 14.32 C ATOM 269 OH TYR A 18 6.812 14.478 -12.194 1.00 15.41 O ATOM 0 H TYR A 18 9.973 10.667 -15.994 1.00 12.00 H new ATOM 0 HA TYR A 18 7.189 9.909 -16.617 1.00 11.22 H new ATOM 0 HB2 TYR A 18 8.844 12.287 -17.531 1.00 11.19 H new ATOM 0 HB3 TYR A 18 7.130 12.040 -17.803 1.00 11.19 H new ATOM 0 HD1 TYR A 18 9.681 12.887 -15.285 1.00 12.95 H new ATOM 0 HD2 TYR A 18 5.508 12.401 -15.992 1.00 12.64 H new ATOM 0 HE1 TYR A 18 9.194 14.017 -13.165 1.00 13.98 H new ATOM 0 HE2 TYR A 18 5.017 13.538 -13.868 1.00 13.68 H new ATOM 0 HH TYR A 18 5.842 14.529 -12.060 1.00 15.41 H new ATOM 279 N PHE A 19 7.645 8.903 -18.821 1.00 10.05 N ATOM 280 CA PHE A 19 7.938 8.158 -20.042 1.00 9.38 C ATOM 281 C PHE A 19 7.367 8.866 -21.266 1.00 8.44 C ATOM 282 O PHE A 19 7.260 8.277 -22.343 1.00 7.95 O ATOM 283 CB PHE A 19 7.386 6.727 -19.942 1.00 9.94 C ATOM 284 CG PHE A 19 5.882 6.636 -19.872 1.00 10.27 C ATOM 285 CD1 PHE A 19 5.198 7.007 -18.727 1.00 10.88 C ATOM 286 CD2 PHE A 19 5.154 6.163 -20.955 1.00 10.22 C ATOM 287 CE1 PHE A 19 3.822 6.912 -18.660 1.00 11.39 C ATOM 288 CE2 PHE A 19 3.777 6.068 -20.894 1.00 10.77 C ATOM 289 CZ PHE A 19 3.111 6.442 -19.744 1.00 11.34 C ATOM 0 H PHE A 19 6.711 8.740 -18.444 1.00 10.05 H new ATOM 0 HA PHE A 19 9.021 8.108 -20.156 1.00 9.38 H new ATOM 0 HB2 PHE A 19 7.731 6.158 -20.805 1.00 9.94 H new ATOM 0 HB3 PHE A 19 7.807 6.251 -19.057 1.00 9.94 H new ATOM 0 HD1 PHE A 19 5.748 7.376 -17.874 1.00 10.88 H new ATOM 0 HD2 PHE A 19 5.670 5.866 -21.856 1.00 10.22 H new ATOM 0 HE1 PHE A 19 3.303 7.206 -17.759 1.00 11.39 H new ATOM 0 HE2 PHE A 19 3.222 5.702 -21.745 1.00 10.77 H new ATOM 0 HZ PHE A 19 2.035 6.367 -19.693 1.00 11.34 H new ATOM 299 N GLN A 20 7.013 10.140 -21.090 1.00 8.42 N ATOM 300 CA GLN A 20 6.463 10.959 -22.169 1.00 7.85 C ATOM 301 C GLN A 20 5.109 10.415 -22.610 1.00 7.07 C ATOM 302 O GLN A 20 4.758 10.473 -23.789 1.00 7.05 O ATOM 303 CB GLN A 20 7.425 11.023 -23.370 1.00 8.59 C ATOM 304 CG GLN A 20 8.627 11.947 -23.182 1.00 9.58 C ATOM 305 CD GLN A 20 9.523 11.545 -22.024 1.00 10.21 C ATOM 306 OE1 GLN A 20 10.434 10.733 -22.183 1.00 10.77 O ATOM 307 NE2 GLN A 20 9.290 12.128 -20.860 1.00 10.35 N ATOM 0 H GLN A 20 7.099 10.630 -20.200 1.00 8.42 H new ATOM 0 HA GLN A 20 6.333 11.971 -21.786 1.00 7.85 H new ATOM 0 HB2 GLN A 20 7.788 10.017 -23.580 1.00 8.59 H new ATOM 0 HB3 GLN A 20 6.867 11.351 -24.247 1.00 8.59 H new ATOM 0 HG2 GLN A 20 9.215 11.957 -24.100 1.00 9.58 H new ATOM 0 HG3 GLN A 20 8.272 12.965 -23.020 1.00 9.58 H new ATOM 0 HE21 GLN A 20 8.525 12.796 -20.768 1.00 10.35 H new ATOM 0 HE22 GLN A 20 9.876 11.910 -20.054 1.00 10.35 H new ATOM 316 N GLY A 21 4.348 9.906 -21.640 1.00 6.73 N ATOM 317 CA GLY A 21 3.041 9.342 -21.925 1.00 6.33 C ATOM 318 C GLY A 21 2.111 10.341 -22.578 1.00 5.42 C ATOM 319 O GLY A 21 1.438 10.024 -23.558 1.00 5.50 O ATOM 0 H GLY A 21 4.618 9.876 -20.657 1.00 6.73 H new ATOM 0 HA2 GLY A 21 3.156 8.477 -22.578 1.00 6.33 H new ATOM 0 HA3 GLY A 21 2.593 8.985 -20.998 1.00 6.33 H new ATOM 323 N HIS A 22 2.078 11.553 -22.042 1.00 4.89 N ATOM 324 CA HIS A 22 1.262 12.614 -22.609 1.00 4.23 C ATOM 325 C HIS A 22 2.032 13.933 -22.604 1.00 3.24 C ATOM 326 O HIS A 22 2.142 14.608 -21.583 1.00 3.42 O ATOM 327 CB HIS A 22 -0.085 12.751 -21.870 1.00 4.82 C ATOM 328 CG HIS A 22 0.019 13.103 -20.414 1.00 5.13 C ATOM 329 ND1 HIS A 22 -0.266 14.358 -19.921 1.00 5.51 N ATOM 330 CD2 HIS A 22 0.364 12.353 -19.343 1.00 5.53 C ATOM 331 CE1 HIS A 22 -0.098 14.364 -18.615 1.00 6.05 C ATOM 332 NE2 HIS A 22 0.285 13.160 -18.236 1.00 6.08 N ATOM 0 H HIS A 22 2.608 11.825 -21.214 1.00 4.89 H new ATOM 0 HA HIS A 22 1.034 12.351 -23.642 1.00 4.23 H new ATOM 0 HB2 HIS A 22 -0.680 13.515 -22.371 1.00 4.82 H new ATOM 0 HB3 HIS A 22 -0.629 11.811 -21.962 1.00 4.82 H new ATOM 0 HD2 HIS A 22 0.649 11.311 -19.356 1.00 5.53 H new ATOM 0 HE1 HIS A 22 -0.249 15.212 -17.964 1.00 6.05 H new ATOM 0 HE2 HIS A 22 0.489 12.876 -17.278 1.00 6.08 H new ATOM 341 N MET A 23 2.609 14.270 -23.745 1.00 2.70 N ATOM 342 CA MET A 23 3.345 15.519 -23.879 1.00 2.18 C ATOM 343 C MET A 23 2.568 16.472 -24.774 1.00 1.83 C ATOM 344 O MET A 23 2.398 17.649 -24.459 1.00 2.36 O ATOM 345 CB MET A 23 4.738 15.270 -24.464 1.00 2.61 C ATOM 346 CG MET A 23 5.525 14.184 -23.742 1.00 2.99 C ATOM 347 SD MET A 23 5.722 14.506 -21.976 1.00 3.68 S ATOM 348 CE MET A 23 6.703 16.004 -22.011 1.00 4.41 C ATOM 0 H MET A 23 2.583 13.700 -24.590 1.00 2.70 H new ATOM 0 HA MET A 23 3.465 15.962 -22.890 1.00 2.18 H new ATOM 0 HB2 MET A 23 4.637 14.995 -25.514 1.00 2.61 H new ATOM 0 HB3 MET A 23 5.306 16.199 -24.432 1.00 2.61 H new ATOM 0 HG2 MET A 23 5.020 13.228 -23.877 1.00 2.99 H new ATOM 0 HG3 MET A 23 6.510 14.092 -24.200 1.00 2.99 H new ATOM 0 HE1 MET A 23 7.101 16.202 -21.016 1.00 4.41 H new ATOM 0 HE2 MET A 23 7.527 15.883 -22.714 1.00 4.41 H new ATOM 0 HE3 MET A 23 6.079 16.841 -22.325 1.00 4.41 H new ATOM 358 N CYS A 24 2.089 15.941 -25.888 1.00 1.24 N ATOM 359 CA CYS A 24 1.299 16.706 -26.836 1.00 0.95 C ATOM 360 C CYS A 24 0.497 15.755 -27.714 1.00 0.84 C ATOM 361 O CYS A 24 1.033 14.759 -28.202 1.00 0.77 O ATOM 362 CB CYS A 24 2.209 17.585 -27.697 1.00 0.99 C ATOM 363 SG CYS A 24 1.335 18.585 -28.921 1.00 1.71 S ATOM 0 H CYS A 24 2.237 14.969 -26.159 1.00 1.24 H new ATOM 0 HA CYS A 24 0.612 17.353 -26.290 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.779 18.247 -27.044 1.00 0.99 H new ATOM 0 HB3 CYS A 24 2.928 16.948 -28.212 1.00 0.99 H new ATOM 0 HG CYS A 24 2.192 19.293 -29.595 1.00 1.71 H new ATOM 369 N ILE A 25 -0.783 16.056 -27.901 1.00 0.89 N ATOM 370 CA ILE A 25 -1.662 15.213 -28.706 1.00 0.88 C ATOM 371 C ILE A 25 -1.165 15.130 -30.153 1.00 0.74 C ATOM 372 O ILE A 25 -1.292 14.096 -30.804 1.00 0.71 O ATOM 373 CB ILE A 25 -3.127 15.720 -28.662 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.063 14.753 -29.394 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.245 17.121 -29.247 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.151 13.388 -28.743 1.00 1.37 C ATOM 0 H ILE A 25 -1.237 16.879 -27.505 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.641 14.211 -28.276 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.428 15.765 -27.615 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.061 15.190 -29.440 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.719 14.635 -30.422 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.284 17.448 -29.202 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -2.623 17.808 -28.674 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -2.913 17.111 -30.285 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -4.831 12.756 -29.314 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -3.162 12.931 -28.722 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.524 13.494 -27.724 1.00 1.37 H new ATOM 388 N GLN A 26 -0.562 16.214 -30.631 1.00 0.69 N ATOM 389 CA GLN A 26 -0.006 16.250 -31.977 1.00 0.64 C ATOM 390 C GLN A 26 1.130 15.238 -32.105 1.00 0.56 C ATOM 391 O GLN A 26 1.266 14.569 -33.127 1.00 0.59 O ATOM 392 CB GLN A 26 0.496 17.659 -32.297 1.00 0.70 C ATOM 393 CG GLN A 26 1.076 17.807 -33.695 1.00 0.80 C ATOM 394 CD GLN A 26 1.615 19.202 -33.952 1.00 1.23 C ATOM 395 OE1 GLN A 26 1.112 20.185 -33.405 1.00 1.75 O ATOM 396 NE2 GLN A 26 2.639 19.301 -34.787 1.00 1.54 N ATOM 0 H GLN A 26 -0.446 17.080 -30.104 1.00 0.69 H new ATOM 0 HA GLN A 26 -0.787 15.986 -32.690 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.329 18.362 -32.181 1.00 0.70 H new ATOM 0 HB3 GLN A 26 1.257 17.937 -31.568 1.00 0.70 H new ATOM 0 HG2 GLN A 26 1.876 17.080 -33.832 1.00 0.80 H new ATOM 0 HG3 GLN A 26 0.306 17.576 -34.431 1.00 0.80 H new ATOM 0 HE21 GLN A 26 3.027 18.463 -35.220 1.00 1.54 H new ATOM 0 HE22 GLN A 26 3.039 20.215 -34.997 1.00 1.54 H new ATOM 405 N LYS A 27 1.930 15.125 -31.051 1.00 0.56 N ATOM 406 CA LYS A 27 3.029 14.167 -31.016 1.00 0.60 C ATOM 407 C LYS A 27 2.497 12.736 -30.999 1.00 0.58 C ATOM 408 O LYS A 27 3.107 11.842 -31.580 1.00 0.58 O ATOM 409 CB LYS A 27 3.923 14.432 -29.794 1.00 0.75 C ATOM 410 CG LYS A 27 4.898 13.304 -29.463 1.00 1.27 C ATOM 411 CD LYS A 27 5.893 13.034 -30.588 1.00 1.53 C ATOM 412 CE LYS A 27 6.925 14.142 -30.724 1.00 1.93 C ATOM 413 NZ LYS A 27 7.954 13.806 -31.746 1.00 2.50 N ATOM 0 H LYS A 27 1.837 15.688 -30.205 1.00 0.56 H new ATOM 0 HA LYS A 27 3.629 14.291 -31.918 1.00 0.60 H new ATOM 0 HB2 LYS A 27 4.491 15.346 -29.967 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.287 14.611 -28.927 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.444 13.557 -28.554 1.00 1.27 H new ATOM 0 HG3 LYS A 27 4.336 12.394 -29.255 1.00 1.27 H new ATOM 0 HD2 LYS A 27 6.401 12.088 -30.401 1.00 1.53 H new ATOM 0 HD3 LYS A 27 5.354 12.926 -31.529 1.00 1.53 H new ATOM 0 HE2 LYS A 27 6.428 15.072 -30.999 1.00 1.93 H new ATOM 0 HE3 LYS A 27 7.408 14.311 -29.762 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 8.803 14.385 -31.587 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 8.203 12.799 -31.670 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 7.576 13.999 -32.696 1.00 2.50 H new ATOM 427 N VAL A 28 1.357 12.530 -30.348 1.00 0.62 N ATOM 428 CA VAL A 28 0.749 11.205 -30.275 1.00 0.68 C ATOM 429 C VAL A 28 0.450 10.673 -31.674 1.00 0.62 C ATOM 430 O VAL A 28 0.914 9.595 -32.050 1.00 0.62 O ATOM 431 CB VAL A 28 -0.555 11.223 -29.443 1.00 0.77 C ATOM 432 CG1 VAL A 28 -1.183 9.840 -29.389 1.00 1.03 C ATOM 433 CG2 VAL A 28 -0.288 11.739 -28.039 1.00 1.04 C ATOM 0 H VAL A 28 0.836 13.261 -29.864 1.00 0.62 H new ATOM 0 HA VAL A 28 1.465 10.548 -29.782 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.257 11.898 -29.932 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -2.098 9.879 -28.798 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -1.417 9.507 -30.400 1.00 1.03 H new ATOM 0 HG13 VAL A 28 -0.484 9.141 -28.930 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -1.218 11.744 -27.470 1.00 1.04 H new ATOM 0 HG22 VAL A 28 0.436 11.091 -27.545 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.109 12.753 -28.093 1.00 1.04 H new ATOM 443 N ILE A 29 -0.303 11.450 -32.443 1.00 0.60 N ATOM 444 CA ILE A 29 -0.647 11.074 -33.811 1.00 0.57 C ATOM 445 C ILE A 29 0.612 11.000 -34.678 1.00 0.52 C ATOM 446 O ILE A 29 0.804 10.051 -35.441 1.00 0.51 O ATOM 447 CB ILE A 29 -1.664 12.071 -34.436 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.077 11.846 -33.883 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.683 11.960 -35.954 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.253 12.219 -32.427 1.00 0.79 C ATOM 0 H ILE A 29 -0.688 12.346 -32.143 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.115 10.090 -33.775 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.338 13.074 -34.162 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.782 12.424 -34.480 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.339 10.795 -34.009 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.403 12.669 -36.362 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.691 12.183 -36.348 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.968 10.948 -36.241 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.282 12.026 -32.124 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.577 11.623 -31.814 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.027 13.277 -32.293 1.00 0.79 H new ATOM 462 N GLU A 30 1.474 12.002 -34.535 1.00 0.53 N ATOM 463 CA GLU A 30 2.727 12.067 -35.281 1.00 0.55 C ATOM 464 C GLU A 30 3.522 10.772 -35.125 1.00 0.55 C ATOM 465 O GLU A 30 3.940 10.157 -36.105 1.00 0.58 O ATOM 466 CB GLU A 30 3.568 13.242 -34.775 1.00 0.64 C ATOM 467 CG GLU A 30 4.886 13.425 -35.509 1.00 0.99 C ATOM 468 CD GLU A 30 5.865 14.287 -34.734 1.00 1.49 C ATOM 469 OE1 GLU A 30 5.739 15.530 -34.771 1.00 2.20 O ATOM 470 OE2 GLU A 30 6.758 13.719 -34.067 1.00 1.84 O ATOM 0 H GLU A 30 1.325 12.788 -33.902 1.00 0.53 H new ATOM 0 HA GLU A 30 2.491 12.207 -36.336 1.00 0.55 H new ATOM 0 HB2 GLU A 30 2.984 14.158 -34.866 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.773 13.098 -33.714 1.00 0.64 H new ATOM 0 HG2 GLU A 30 5.334 12.449 -35.695 1.00 0.99 H new ATOM 0 HG3 GLU A 30 4.697 13.879 -36.482 1.00 0.99 H new ATOM 477 N ASP A 31 3.705 10.363 -33.878 1.00 0.57 N ATOM 478 CA ASP A 31 4.553 9.225 -33.546 1.00 0.64 C ATOM 479 C ASP A 31 3.904 7.907 -33.965 1.00 0.57 C ATOM 480 O ASP A 31 4.583 7.006 -34.459 1.00 0.61 O ATOM 481 CB ASP A 31 4.837 9.230 -32.041 1.00 0.80 C ATOM 482 CG ASP A 31 5.868 8.204 -31.623 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.080 8.486 -31.751 1.00 1.17 O ATOM 484 OD2 ASP A 31 5.474 7.124 -31.141 1.00 1.67 O ATOM 0 H ASP A 31 3.272 10.808 -33.069 1.00 0.57 H new ATOM 0 HA ASP A 31 5.491 9.315 -34.095 1.00 0.64 H new ATOM 0 HB2 ASP A 31 5.181 10.221 -31.747 1.00 0.80 H new ATOM 0 HB3 ASP A 31 3.908 9.042 -31.502 1.00 0.80 H new ATOM 489 N LYS A 32 2.588 7.819 -33.799 1.00 0.53 N ATOM 490 CA LYS A 32 1.841 6.594 -34.086 1.00 0.55 C ATOM 491 C LYS A 32 1.982 6.179 -35.553 1.00 0.48 C ATOM 492 O LYS A 32 2.412 5.063 -35.856 1.00 0.52 O ATOM 493 CB LYS A 32 0.363 6.797 -33.736 1.00 0.67 C ATOM 494 CG LYS A 32 -0.542 5.628 -34.105 1.00 0.97 C ATOM 495 CD LYS A 32 -0.337 4.422 -33.200 1.00 1.09 C ATOM 496 CE LYS A 32 -0.643 4.752 -31.746 1.00 1.51 C ATOM 497 NZ LYS A 32 -0.817 3.524 -30.925 1.00 2.03 N ATOM 0 H LYS A 32 2.010 8.589 -33.464 1.00 0.53 H new ATOM 0 HA LYS A 32 2.256 5.793 -33.474 1.00 0.55 H new ATOM 0 HB2 LYS A 32 0.279 6.981 -32.665 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.003 7.692 -34.242 1.00 0.67 H new ATOM 0 HG2 LYS A 32 -1.583 5.947 -34.049 1.00 0.97 H new ATOM 0 HG3 LYS A 32 -0.352 5.339 -35.139 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -0.979 3.605 -33.531 1.00 1.09 H new ATOM 0 HD3 LYS A 32 0.692 4.073 -33.285 1.00 1.09 H new ATOM 0 HE2 LYS A 32 0.166 5.354 -31.332 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -1.549 5.356 -31.693 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -1.829 3.372 -30.738 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -0.433 2.705 -31.439 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -0.311 3.635 -30.023 1.00 2.03 H new ATOM 511 N LEU A 33 1.634 7.080 -36.463 1.00 0.44 N ATOM 512 CA LEU A 33 1.705 6.778 -37.888 1.00 0.44 C ATOM 513 C LEU A 33 3.149 6.767 -38.387 1.00 0.46 C ATOM 514 O LEU A 33 3.465 6.092 -39.371 1.00 0.51 O ATOM 515 CB LEU A 33 0.833 7.753 -38.700 1.00 0.47 C ATOM 516 CG LEU A 33 1.050 9.249 -38.442 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.268 9.772 -39.188 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.190 10.036 -38.834 1.00 0.55 C ATOM 0 H LEU A 33 1.302 8.019 -36.243 1.00 0.44 H new ATOM 0 HA LEU A 33 1.307 5.774 -38.036 1.00 0.44 H new ATOM 0 HB2 LEU A 33 1.005 7.562 -39.759 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.213 7.521 -38.500 1.00 0.47 H new ATOM 0 HG LEU A 33 1.232 9.382 -37.376 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.392 10.835 -38.982 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.156 9.233 -38.858 1.00 0.57 H new ATOM 0 HD13 LEU A 33 2.130 9.623 -40.259 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -0.022 11.096 -38.646 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.398 9.884 -39.893 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -1.040 9.693 -38.245 1.00 0.55 H new ATOM 530 N SER A 34 4.030 7.493 -37.703 1.00 0.47 N ATOM 531 CA SER A 34 5.428 7.554 -38.107 1.00 0.53 C ATOM 532 C SER A 34 6.112 6.207 -37.885 1.00 0.54 C ATOM 533 O SER A 34 6.949 5.791 -38.682 1.00 0.59 O ATOM 534 CB SER A 34 6.171 8.656 -37.347 1.00 0.60 C ATOM 535 OG SER A 34 7.411 8.957 -37.969 1.00 1.29 O ATOM 0 H SER A 34 3.802 8.042 -36.874 1.00 0.47 H new ATOM 0 HA SER A 34 5.459 7.790 -39.171 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.554 9.553 -37.306 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.344 8.340 -36.318 1.00 0.60 H new ATOM 0 HG SER A 34 7.866 9.665 -37.466 1.00 1.29 H new ATOM 541 N SER A 35 5.747 5.523 -36.810 1.00 0.55 N ATOM 542 CA SER A 35 6.310 4.211 -36.525 1.00 0.62 C ATOM 543 C SER A 35 5.797 3.169 -37.518 1.00 0.59 C ATOM 544 O SER A 35 6.478 2.183 -37.805 1.00 0.65 O ATOM 545 CB SER A 35 5.965 3.790 -35.096 1.00 0.72 C ATOM 546 OG SER A 35 6.476 4.718 -34.155 1.00 0.78 O ATOM 0 H SER A 35 5.067 5.852 -36.124 1.00 0.55 H new ATOM 0 HA SER A 35 7.393 4.275 -36.627 1.00 0.62 H new ATOM 0 HB2 SER A 35 4.883 3.714 -34.987 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.376 2.800 -34.896 1.00 0.72 H new ATOM 0 HG SER A 35 5.917 5.523 -34.153 1.00 0.78 H new ATOM 552 N ALA A 36 4.603 3.401 -38.052 1.00 0.54 N ATOM 553 CA ALA A 36 3.969 2.443 -38.945 1.00 0.57 C ATOM 554 C ALA A 36 4.427 2.617 -40.392 1.00 0.51 C ATOM 555 O ALA A 36 4.910 1.670 -41.015 1.00 0.52 O ATOM 556 CB ALA A 36 2.460 2.573 -38.856 1.00 0.64 C ATOM 0 H ALA A 36 4.056 4.245 -37.881 1.00 0.54 H new ATOM 0 HA ALA A 36 4.270 1.445 -38.625 1.00 0.57 H new ATOM 0 HB1 ALA A 36 1.993 1.853 -39.527 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.138 2.378 -37.833 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.164 3.582 -39.144 1.00 0.64 H new ATOM 562 N LEU A 37 4.284 3.826 -40.923 1.00 0.50 N ATOM 563 CA LEU A 37 4.621 4.085 -42.321 1.00 0.53 C ATOM 564 C LEU A 37 6.104 4.388 -42.473 1.00 0.52 C ATOM 565 O LEU A 37 6.722 4.014 -43.470 1.00 0.62 O ATOM 566 CB LEU A 37 3.784 5.244 -42.870 1.00 0.57 C ATOM 567 CG LEU A 37 2.272 5.013 -42.862 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.542 6.241 -43.381 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.914 3.788 -43.690 1.00 0.94 C ATOM 0 H LEU A 37 3.939 4.639 -40.412 1.00 0.50 H new ATOM 0 HA LEU A 37 4.393 3.187 -42.896 1.00 0.53 H new ATOM 0 HB2 LEU A 37 4.002 6.138 -42.286 1.00 0.57 H new ATOM 0 HB3 LEU A 37 4.100 5.447 -43.893 1.00 0.57 H new ATOM 0 HG LEU A 37 1.957 4.836 -41.834 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.468 6.058 -43.368 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.772 7.097 -42.746 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.862 6.450 -44.402 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.834 3.640 -43.672 1.00 0.94 H new ATOM 0 HD22 LEU A 37 2.243 3.935 -44.719 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.408 2.910 -43.273 1.00 0.94 H new ATOM 581 N LYS A 38 6.656 5.058 -41.464 1.00 0.47 N ATOM 582 CA LYS A 38 8.075 5.409 -41.417 1.00 0.52 C ATOM 583 C LYS A 38 8.485 6.268 -42.612 1.00 0.47 C ATOM 584 O LYS A 38 8.954 5.766 -43.637 1.00 0.54 O ATOM 585 CB LYS A 38 8.935 4.146 -41.319 1.00 0.70 C ATOM 586 CG LYS A 38 10.392 4.412 -40.985 1.00 1.32 C ATOM 587 CD LYS A 38 10.909 3.399 -39.979 1.00 1.93 C ATOM 588 CE LYS A 38 10.208 3.556 -38.636 1.00 2.67 C ATOM 589 NZ LYS A 38 10.511 2.437 -37.707 1.00 3.36 N ATOM 0 H LYS A 38 6.129 5.375 -40.650 1.00 0.47 H new ATOM 0 HA LYS A 38 8.242 6.008 -40.522 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.513 3.490 -40.558 1.00 0.70 H new ATOM 0 HB3 LYS A 38 8.883 3.609 -42.266 1.00 0.70 H new ATOM 0 HG2 LYS A 38 10.992 4.367 -41.894 1.00 1.32 H new ATOM 0 HG3 LYS A 38 10.499 5.419 -40.582 1.00 1.32 H new ATOM 0 HD2 LYS A 38 10.751 2.390 -40.360 1.00 1.93 H new ATOM 0 HD3 LYS A 38 11.984 3.526 -39.849 1.00 1.93 H new ATOM 0 HE2 LYS A 38 10.512 4.497 -38.178 1.00 2.67 H new ATOM 0 HE3 LYS A 38 9.131 3.612 -38.795 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 10.012 2.588 -36.807 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 10.198 1.540 -38.130 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 11.536 2.399 -37.532 1.00 3.36 H new ATOM 603 N PRO A 39 8.279 7.584 -42.499 1.00 0.46 N ATOM 604 CA PRO A 39 8.638 8.533 -43.535 1.00 0.47 C ATOM 605 C PRO A 39 10.025 9.138 -43.326 1.00 0.51 C ATOM 606 O PRO A 39 10.582 9.093 -42.227 1.00 0.63 O ATOM 607 CB PRO A 39 7.554 9.598 -43.378 1.00 0.50 C ATOM 608 CG PRO A 39 7.202 9.590 -41.922 1.00 0.54 C ATOM 609 CD PRO A 39 7.647 8.259 -41.355 1.00 0.52 C ATOM 0 HA PRO A 39 8.689 8.078 -44.524 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.916 10.578 -43.690 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.685 9.369 -43.994 1.00 0.50 H new ATOM 0 HG2 PRO A 39 7.695 10.412 -41.404 1.00 0.54 H new ATOM 0 HG3 PRO A 39 6.129 9.726 -41.786 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.348 8.390 -40.531 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.804 7.687 -40.969 1.00 0.52 H new ATOM 617 N THR A 40 10.582 9.698 -44.387 1.00 0.52 N ATOM 618 CA THR A 40 11.837 10.420 -44.294 1.00 0.61 C ATOM 619 C THR A 40 11.551 11.881 -43.983 1.00 0.62 C ATOM 620 O THR A 40 12.404 12.615 -43.488 1.00 0.73 O ATOM 621 CB THR A 40 12.648 10.308 -45.598 1.00 0.67 C ATOM 622 OG1 THR A 40 11.829 10.674 -46.717 1.00 0.70 O ATOM 623 CG2 THR A 40 13.177 8.894 -45.789 1.00 0.71 C ATOM 0 H THR A 40 10.182 9.665 -45.325 1.00 0.52 H new ATOM 0 HA THR A 40 12.432 9.979 -43.495 1.00 0.61 H new ATOM 0 HB THR A 40 13.497 10.988 -45.531 1.00 0.67 H new ATOM 0 HG1 THR A 40 12.390 11.062 -47.420 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.746 8.841 -46.717 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.823 8.631 -44.951 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.341 8.196 -45.836 1.00 0.71 H new ATOM 631 N PHE A 41 10.327 12.291 -44.288 1.00 0.54 N ATOM 632 CA PHE A 41 9.851 13.621 -43.964 1.00 0.55 C ATOM 633 C PHE A 41 8.397 13.546 -43.525 1.00 0.48 C ATOM 634 O PHE A 41 7.577 12.896 -44.178 1.00 0.45 O ATOM 635 CB PHE A 41 9.998 14.559 -45.165 1.00 0.57 C ATOM 636 CG PHE A 41 9.513 15.957 -44.901 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.271 16.834 -44.142 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.298 16.392 -45.409 1.00 0.62 C ATOM 639 CE1 PHE A 41 9.826 18.119 -43.896 1.00 0.76 C ATOM 640 CE2 PHE A 41 7.849 17.674 -45.166 1.00 0.70 C ATOM 641 CZ PHE A 41 8.613 18.539 -44.408 1.00 0.75 C ATOM 0 H PHE A 41 9.640 11.708 -44.767 1.00 0.54 H new ATOM 0 HA PHE A 41 10.453 14.022 -43.149 1.00 0.55 H new ATOM 0 HB2 PHE A 41 11.047 14.597 -45.459 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.445 14.145 -46.008 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.219 16.510 -43.739 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.696 15.719 -46.002 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.426 18.795 -43.304 1.00 0.76 H new ATOM 0 HE2 PHE A 41 6.901 18.000 -45.568 1.00 0.70 H new ATOM 0 HZ PHE A 41 8.263 19.542 -44.215 1.00 0.75 H new ATOM 651 N LEU A 42 8.087 14.193 -42.415 1.00 0.50 N ATOM 652 CA LEU A 42 6.738 14.183 -41.878 1.00 0.48 C ATOM 653 C LEU A 42 6.379 15.556 -41.331 1.00 0.54 C ATOM 654 O LEU A 42 7.129 16.132 -40.539 1.00 0.64 O ATOM 655 CB LEU A 42 6.621 13.131 -40.770 1.00 0.53 C ATOM 656 CG LEU A 42 5.236 12.991 -40.135 1.00 0.60 C ATOM 657 CD1 LEU A 42 4.219 12.516 -41.162 1.00 1.03 C ATOM 658 CD2 LEU A 42 5.289 12.036 -38.953 1.00 1.55 C ATOM 0 H LEU A 42 8.755 14.734 -41.866 1.00 0.50 H new ATOM 0 HA LEU A 42 6.044 13.932 -42.680 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.913 12.164 -41.180 1.00 0.53 H new ATOM 0 HB3 LEU A 42 7.338 13.374 -39.986 1.00 0.53 H new ATOM 0 HG LEU A 42 4.923 13.971 -39.774 1.00 0.60 H new ATOM 0 HD11 LEU A 42 3.241 12.423 -40.690 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.161 13.237 -41.977 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.525 11.547 -41.556 1.00 1.03 H new ATOM 0 HD21 LEU A 42 4.296 11.947 -38.512 1.00 1.55 H new ATOM 0 HD22 LEU A 42 5.625 11.056 -39.292 1.00 1.55 H new ATOM 0 HD23 LEU A 42 5.984 12.419 -38.206 1.00 1.55 H new ATOM 670 N GLU A 43 5.249 16.086 -41.771 1.00 0.57 N ATOM 671 CA GLU A 43 4.773 17.370 -41.281 1.00 0.69 C ATOM 672 C GLU A 43 3.269 17.335 -41.062 1.00 0.60 C ATOM 673 O GLU A 43 2.505 17.000 -41.967 1.00 0.53 O ATOM 674 CB GLU A 43 5.140 18.494 -42.256 1.00 0.82 C ATOM 675 CG GLU A 43 4.678 19.872 -41.798 1.00 1.00 C ATOM 676 CD GLU A 43 5.130 20.988 -42.719 1.00 1.62 C ATOM 677 OE1 GLU A 43 4.494 21.193 -43.772 1.00 2.23 O ATOM 678 OE2 GLU A 43 6.117 21.676 -42.384 1.00 2.19 O ATOM 0 H GLU A 43 4.645 15.648 -42.466 1.00 0.57 H new ATOM 0 HA GLU A 43 5.260 17.569 -40.326 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.222 18.508 -42.391 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.700 18.277 -43.230 1.00 0.82 H new ATOM 0 HG2 GLU A 43 3.590 19.881 -41.733 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.058 20.061 -40.794 1.00 1.00 H new ATOM 685 N LEU A 44 2.853 17.656 -39.846 1.00 0.67 N ATOM 686 CA LEU A 44 1.440 17.759 -39.525 1.00 0.65 C ATOM 687 C LEU A 44 0.999 19.211 -39.633 1.00 0.64 C ATOM 688 O LEU A 44 1.488 20.076 -38.907 1.00 0.77 O ATOM 689 CB LEU A 44 1.138 17.213 -38.122 1.00 0.82 C ATOM 690 CG LEU A 44 1.126 15.684 -37.988 1.00 0.97 C ATOM 691 CD1 LEU A 44 2.523 15.103 -38.130 1.00 1.27 C ATOM 692 CD2 LEU A 44 0.514 15.277 -36.658 1.00 1.72 C ATOM 0 H LEU A 44 3.478 17.850 -39.063 1.00 0.67 H new ATOM 0 HA LEU A 44 0.882 17.153 -40.239 1.00 0.65 H new ATOM 0 HB2 LEU A 44 1.879 17.614 -37.430 1.00 0.82 H new ATOM 0 HB3 LEU A 44 0.167 17.594 -37.806 1.00 0.82 H new ATOM 0 HG LEU A 44 0.516 15.281 -38.796 1.00 0.97 H new ATOM 0 HD11 LEU A 44 2.478 14.019 -38.030 1.00 1.27 H new ATOM 0 HD12 LEU A 44 2.926 15.361 -39.109 1.00 1.27 H new ATOM 0 HD13 LEU A 44 3.168 15.513 -37.353 1.00 1.27 H new ATOM 0 HD21 LEU A 44 0.512 14.190 -36.576 1.00 1.72 H new ATOM 0 HD22 LEU A 44 1.100 15.701 -35.843 1.00 1.72 H new ATOM 0 HD23 LEU A 44 -0.509 15.647 -36.600 1.00 1.72 H new ATOM 704 N VAL A 45 0.086 19.464 -40.549 1.00 0.57 N ATOM 705 CA VAL A 45 -0.376 20.809 -40.833 1.00 0.63 C ATOM 706 C VAL A 45 -1.743 21.040 -40.206 1.00 0.60 C ATOM 707 O VAL A 45 -2.653 20.220 -40.362 1.00 0.56 O ATOM 708 CB VAL A 45 -0.459 21.062 -42.357 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.800 22.516 -42.652 1.00 1.08 C ATOM 710 CG2 VAL A 45 0.844 20.667 -43.038 1.00 0.90 C ATOM 0 H VAL A 45 -0.357 18.743 -41.118 1.00 0.57 H new ATOM 0 HA VAL A 45 0.345 21.505 -40.404 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.259 20.441 -42.759 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.852 22.666 -43.730 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.763 22.762 -42.205 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.029 23.163 -42.233 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.765 20.852 -44.109 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.663 21.257 -42.627 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.038 19.608 -42.866 1.00 0.90 H new ATOM 720 N ASP A 46 -1.880 22.145 -39.490 1.00 0.76 N ATOM 721 CA ASP A 46 -3.140 22.492 -38.847 1.00 0.83 C ATOM 722 C ASP A 46 -4.093 23.093 -39.870 1.00 0.80 C ATOM 723 O ASP A 46 -3.964 24.258 -40.249 1.00 0.99 O ATOM 724 CB ASP A 46 -2.901 23.475 -37.697 1.00 1.16 C ATOM 725 CG ASP A 46 -4.174 23.831 -36.953 1.00 1.38 C ATOM 726 OD1 ASP A 46 -4.735 22.952 -36.273 1.00 1.83 O ATOM 727 OD2 ASP A 46 -4.616 24.998 -37.038 1.00 1.57 O ATOM 0 H ASP A 46 -1.131 22.821 -39.338 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.588 21.587 -38.436 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -2.186 23.042 -36.998 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -2.450 24.385 -38.091 1.00 1.16 H new ATOM 732 N LYS A 47 -5.037 22.287 -40.334 1.00 0.81 N ATOM 733 CA LYS A 47 -5.945 22.705 -41.393 1.00 1.03 C ATOM 734 C LYS A 47 -7.213 23.304 -40.798 1.00 1.12 C ATOM 735 O LYS A 47 -8.323 22.838 -41.056 1.00 1.66 O ATOM 736 CB LYS A 47 -6.287 21.519 -42.304 1.00 1.36 C ATOM 737 CG LYS A 47 -5.064 20.774 -42.821 1.00 1.85 C ATOM 738 CD LYS A 47 -4.186 21.654 -43.700 1.00 2.14 C ATOM 739 CE LYS A 47 -4.721 21.762 -45.119 1.00 2.34 C ATOM 740 NZ LYS A 47 -4.597 20.477 -45.858 1.00 2.76 N ATOM 0 H LYS A 47 -5.194 21.339 -39.993 1.00 0.81 H new ATOM 0 HA LYS A 47 -5.450 23.469 -41.993 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -6.922 20.822 -41.756 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -6.868 21.880 -43.153 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -4.480 20.408 -41.977 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -5.385 19.901 -43.389 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -4.118 22.650 -43.262 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -3.175 21.247 -43.724 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -5.768 22.065 -45.090 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -4.178 22.542 -45.653 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -4.678 20.655 -46.879 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -3.672 20.047 -45.654 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -5.354 19.830 -45.558 1.00 2.76 H new ATOM 754 N SER A 48 -7.034 24.360 -40.019 1.00 1.40 N ATOM 755 CA SER A 48 -8.131 25.017 -39.326 1.00 1.68 C ATOM 756 C SER A 48 -8.899 25.967 -40.245 1.00 1.52 C ATOM 757 O SER A 48 -9.667 26.813 -39.780 1.00 1.97 O ATOM 758 CB SER A 48 -7.582 25.768 -38.116 1.00 2.50 C ATOM 759 OG SER A 48 -6.342 26.386 -38.422 1.00 3.20 O ATOM 0 H SER A 48 -6.123 24.786 -39.850 1.00 1.40 H new ATOM 0 HA SER A 48 -8.836 24.254 -38.997 1.00 1.68 H new ATOM 0 HB2 SER A 48 -8.300 26.523 -37.796 1.00 2.50 H new ATOM 0 HB3 SER A 48 -7.453 25.077 -37.283 1.00 2.50 H new ATOM 0 HG SER A 48 -5.668 26.111 -37.766 1.00 3.20 H new ATOM 765 N CYS A 49 -8.697 25.809 -41.549 1.00 2.02 N ATOM 766 CA CYS A 49 -9.395 26.608 -42.547 1.00 2.76 C ATOM 767 C CYS A 49 -10.908 26.424 -42.424 1.00 2.78 C ATOM 768 O CYS A 49 -11.673 27.389 -42.496 1.00 3.32 O ATOM 769 CB CYS A 49 -8.922 26.212 -43.951 1.00 3.84 C ATOM 770 SG CYS A 49 -9.687 27.150 -45.292 1.00 4.74 S ATOM 0 H CYS A 49 -8.048 25.127 -41.941 1.00 2.02 H new ATOM 0 HA CYS A 49 -9.166 27.660 -42.377 1.00 2.76 H new ATOM 0 HB2 CYS A 49 -7.841 26.340 -44.006 1.00 3.84 H new ATOM 0 HB3 CYS A 49 -9.126 25.152 -44.104 1.00 3.84 H new ATOM 0 HG CYS A 49 -9.217 26.739 -46.432 1.00 4.74 H new ATOM 776 N GLY A 50 -11.332 25.184 -42.219 1.00 2.67 N ATOM 777 CA GLY A 50 -12.746 24.902 -42.072 1.00 2.93 C ATOM 778 C GLY A 50 -13.005 23.769 -41.103 1.00 2.80 C ATOM 779 O GLY A 50 -14.072 23.156 -41.120 1.00 3.16 O ATOM 0 H GLY A 50 -10.722 24.369 -42.152 1.00 2.67 H new ATOM 0 HA2 GLY A 50 -13.260 25.799 -41.725 1.00 2.93 H new ATOM 0 HA3 GLY A 50 -13.167 24.649 -43.045 1.00 2.93 H new ATOM 783 N CYS A 51 -12.024 23.484 -40.258 1.00 2.72 N ATOM 784 CA CYS A 51 -12.133 22.401 -39.289 1.00 2.86 C ATOM 785 C CYS A 51 -11.340 22.734 -38.033 1.00 2.48 C ATOM 786 O CYS A 51 -10.376 23.495 -38.088 1.00 3.01 O ATOM 787 CB CYS A 51 -11.623 21.084 -39.889 1.00 3.50 C ATOM 788 SG CYS A 51 -12.544 20.520 -41.341 1.00 4.36 S ATOM 0 H CYS A 51 -11.139 23.990 -40.224 1.00 2.72 H new ATOM 0 HA CYS A 51 -13.185 22.284 -39.027 1.00 2.86 H new ATOM 0 HB2 CYS A 51 -10.575 21.205 -40.163 1.00 3.50 H new ATOM 0 HB3 CYS A 51 -11.665 20.309 -39.123 1.00 3.50 H new ATOM 0 HG CYS A 51 -13.495 21.365 -41.607 1.00 4.36 H new ATOM 794 N GLY A 52 -11.759 22.178 -36.908 1.00 2.09 N ATOM 795 CA GLY A 52 -11.038 22.375 -35.669 1.00 2.20 C ATOM 796 C GLY A 52 -10.572 21.061 -35.084 1.00 1.68 C ATOM 797 O GLY A 52 -11.193 20.020 -35.328 1.00 2.26 O ATOM 0 H GLY A 52 -12.590 21.591 -36.831 1.00 2.09 H new ATOM 0 HA2 GLY A 52 -10.178 23.021 -35.846 1.00 2.20 H new ATOM 0 HA3 GLY A 52 -11.679 22.887 -34.951 1.00 2.20 H new ATOM 801 N THR A 53 -9.482 21.105 -34.319 1.00 1.51 N ATOM 802 CA THR A 53 -8.895 19.917 -33.689 1.00 1.81 C ATOM 803 C THR A 53 -8.723 18.773 -34.691 1.00 1.47 C ATOM 804 O THR A 53 -9.015 17.613 -34.395 1.00 1.48 O ATOM 805 CB THR A 53 -9.710 19.443 -32.458 1.00 2.71 C ATOM 806 OG1 THR A 53 -11.120 19.462 -32.732 1.00 3.27 O ATOM 807 CG2 THR A 53 -9.418 20.317 -31.247 1.00 3.46 C ATOM 0 H THR A 53 -8.977 21.968 -34.116 1.00 1.51 H new ATOM 0 HA THR A 53 -7.907 20.213 -33.336 1.00 1.81 H new ATOM 0 HB THR A 53 -9.407 18.419 -32.241 1.00 2.71 H new ATOM 0 HG1 THR A 53 -11.269 19.327 -33.691 1.00 3.27 H new ATOM 0 HG21 THR A 53 -10.001 19.966 -30.396 1.00 3.46 H new ATOM 0 HG22 THR A 53 -8.356 20.263 -31.007 1.00 3.46 H new ATOM 0 HG23 THR A 53 -9.687 21.349 -31.470 1.00 3.46 H new ATOM 815 N SER A 54 -8.239 19.117 -35.877 1.00 1.25 N ATOM 816 CA SER A 54 -8.024 18.144 -36.937 1.00 1.00 C ATOM 817 C SER A 54 -6.807 18.540 -37.763 1.00 0.82 C ATOM 818 O SER A 54 -6.626 19.713 -38.092 1.00 0.89 O ATOM 819 CB SER A 54 -9.269 18.046 -37.823 1.00 1.14 C ATOM 820 OG SER A 54 -10.413 17.680 -37.062 1.00 1.71 O ATOM 0 H SER A 54 -7.986 20.072 -36.129 1.00 1.25 H new ATOM 0 HA SER A 54 -7.841 17.165 -36.493 1.00 1.00 H new ATOM 0 HB2 SER A 54 -9.446 19.003 -38.313 1.00 1.14 H new ATOM 0 HB3 SER A 54 -9.102 17.311 -38.610 1.00 1.14 H new ATOM 0 HG SER A 54 -10.689 18.436 -36.502 1.00 1.71 H new ATOM 826 N PHE A 55 -5.970 17.567 -38.091 1.00 0.67 N ATOM 827 CA PHE A 55 -4.721 17.848 -38.783 1.00 0.60 C ATOM 828 C PHE A 55 -4.644 17.105 -40.109 1.00 0.52 C ATOM 829 O PHE A 55 -5.377 16.140 -40.340 1.00 0.50 O ATOM 830 CB PHE A 55 -3.528 17.446 -37.910 1.00 0.67 C ATOM 831 CG PHE A 55 -3.465 18.157 -36.588 1.00 0.81 C ATOM 832 CD1 PHE A 55 -2.882 19.410 -36.488 1.00 0.86 C ATOM 833 CD2 PHE A 55 -3.983 17.570 -35.445 1.00 0.99 C ATOM 834 CE1 PHE A 55 -2.818 20.064 -35.273 1.00 1.03 C ATOM 835 CE2 PHE A 55 -3.923 18.218 -34.227 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.339 19.466 -34.141 1.00 1.15 C ATOM 0 H PHE A 55 -6.132 16.580 -37.890 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.688 18.919 -38.981 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -3.569 16.372 -37.730 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.607 17.642 -38.460 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.473 19.881 -37.370 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -4.440 16.593 -35.507 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.362 21.041 -35.208 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -4.332 17.750 -33.344 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.289 19.975 -33.190 1.00 1.15 H new ATOM 846 N ASP A 56 -3.757 17.571 -40.971 1.00 0.51 N ATOM 847 CA ASP A 56 -3.433 16.877 -42.210 1.00 0.52 C ATOM 848 C ASP A 56 -1.962 16.499 -42.173 1.00 0.50 C ATOM 849 O ASP A 56 -1.112 17.348 -41.917 1.00 0.55 O ATOM 850 CB ASP A 56 -3.725 17.773 -43.414 1.00 0.58 C ATOM 851 CG ASP A 56 -3.445 17.104 -44.747 1.00 0.64 C ATOM 852 OD1 ASP A 56 -2.281 17.106 -45.183 1.00 1.35 O ATOM 853 OD2 ASP A 56 -4.406 16.617 -45.385 1.00 1.23 O ATOM 0 H ASP A 56 -3.240 18.440 -40.834 1.00 0.51 H new ATOM 0 HA ASP A 56 -4.045 15.980 -42.306 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.770 18.081 -43.383 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -3.124 18.679 -43.337 1.00 0.58 H new ATOM 858 N ALA A 57 -1.657 15.238 -42.400 1.00 0.48 N ATOM 859 CA ALA A 57 -0.290 14.770 -42.258 1.00 0.48 C ATOM 860 C ALA A 57 0.360 14.525 -43.608 1.00 0.44 C ATOM 861 O ALA A 57 -0.065 13.655 -44.372 1.00 0.46 O ATOM 862 CB ALA A 57 -0.249 13.505 -41.417 1.00 0.51 C ATOM 0 H ALA A 57 -2.328 14.523 -42.681 1.00 0.48 H new ATOM 0 HA ALA A 57 0.277 15.552 -41.753 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.782 13.166 -41.319 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.658 13.712 -40.428 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.842 12.728 -41.899 1.00 0.51 H new ATOM 868 N VAL A 58 1.392 15.301 -43.896 1.00 0.42 N ATOM 869 CA VAL A 58 2.177 15.096 -45.095 1.00 0.41 C ATOM 870 C VAL A 58 3.189 13.986 -44.847 1.00 0.39 C ATOM 871 O VAL A 58 4.124 14.151 -44.060 1.00 0.41 O ATOM 872 CB VAL A 58 2.921 16.384 -45.512 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.680 16.175 -46.814 1.00 0.51 C ATOM 874 CG2 VAL A 58 1.952 17.547 -45.639 1.00 0.55 C ATOM 0 H VAL A 58 1.703 16.078 -43.313 1.00 0.42 H new ATOM 0 HA VAL A 58 1.500 14.820 -45.903 1.00 0.41 H new ATOM 0 HB VAL A 58 3.644 16.623 -44.732 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.195 17.096 -47.087 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.409 15.375 -46.686 1.00 0.51 H new ATOM 0 HG13 VAL A 58 2.980 15.904 -47.604 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.497 18.444 -45.933 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.201 17.314 -46.394 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.462 17.718 -44.681 1.00 0.55 H new ATOM 884 N ILE A 59 2.988 12.857 -45.505 1.00 0.38 N ATOM 885 CA ILE A 59 3.861 11.709 -45.334 1.00 0.40 C ATOM 886 C ILE A 59 4.748 11.539 -46.563 1.00 0.44 C ATOM 887 O ILE A 59 4.266 11.296 -47.667 1.00 0.65 O ATOM 888 CB ILE A 59 3.039 10.417 -45.033 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.945 9.173 -44.893 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.960 10.192 -46.086 1.00 0.77 C ATOM 891 CD1 ILE A 59 4.263 8.458 -46.197 1.00 0.80 C ATOM 0 H ILE A 59 2.224 12.711 -46.165 1.00 0.38 H new ATOM 0 HA ILE A 59 4.505 11.885 -44.472 1.00 0.40 H new ATOM 0 HB ILE A 59 2.548 10.568 -44.072 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.882 9.475 -44.424 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.464 8.466 -44.217 1.00 1.18 H new ATOM 0 HG21 ILE A 59 1.404 9.285 -45.849 1.00 0.77 H new ATOM 0 HG22 ILE A 59 1.279 11.043 -46.096 1.00 0.77 H new ATOM 0 HG23 ILE A 59 2.425 10.087 -47.066 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.904 7.600 -45.994 1.00 0.80 H new ATOM 0 HD12 ILE A 59 3.337 8.118 -46.661 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.777 9.143 -46.872 1.00 0.80 H new ATOM 903 N VAL A 60 6.042 11.720 -46.368 1.00 0.39 N ATOM 904 CA VAL A 60 7.011 11.550 -47.438 1.00 0.42 C ATOM 905 C VAL A 60 7.853 10.305 -47.185 1.00 0.40 C ATOM 906 O VAL A 60 8.735 10.307 -46.322 1.00 0.44 O ATOM 907 CB VAL A 60 7.924 12.787 -47.562 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.963 12.589 -48.655 1.00 0.58 C ATOM 909 CG2 VAL A 60 7.093 14.032 -47.834 1.00 0.58 C ATOM 0 H VAL A 60 6.449 11.987 -45.472 1.00 0.39 H new ATOM 0 HA VAL A 60 6.466 11.434 -48.375 1.00 0.42 H new ATOM 0 HB VAL A 60 8.450 12.919 -46.617 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.594 13.475 -48.722 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.579 11.722 -48.418 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.461 12.428 -49.609 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.751 14.897 -47.919 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.540 13.904 -48.764 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.392 14.188 -47.014 1.00 0.58 H new ATOM 919 N SER A 61 7.563 9.235 -47.916 1.00 0.39 N ATOM 920 CA SER A 61 8.258 7.971 -47.721 1.00 0.42 C ATOM 921 C SER A 61 8.237 7.128 -48.994 1.00 0.42 C ATOM 922 O SER A 61 7.306 7.205 -49.792 1.00 0.43 O ATOM 923 CB SER A 61 7.619 7.193 -46.564 1.00 0.45 C ATOM 924 OG SER A 61 8.284 5.961 -46.342 1.00 0.84 O ATOM 0 H SER A 61 6.852 9.219 -48.648 1.00 0.39 H new ATOM 0 HA SER A 61 9.298 8.190 -47.477 1.00 0.42 H new ATOM 0 HB2 SER A 61 7.652 7.795 -45.656 1.00 0.45 H new ATOM 0 HB3 SER A 61 6.568 7.007 -46.785 1.00 0.45 H new ATOM 0 HG SER A 61 8.510 5.878 -45.392 1.00 0.84 H new ATOM 930 N ASN A 62 9.287 6.331 -49.169 1.00 0.51 N ATOM 931 CA ASN A 62 9.388 5.397 -50.287 1.00 0.57 C ATOM 932 C ASN A 62 8.354 4.285 -50.170 1.00 0.56 C ATOM 933 O ASN A 62 8.082 3.580 -51.138 1.00 0.59 O ATOM 934 CB ASN A 62 10.793 4.804 -50.404 1.00 0.75 C ATOM 935 CG ASN A 62 11.786 5.772 -51.013 1.00 0.86 C ATOM 936 OD1 ASN A 62 11.938 5.840 -52.231 1.00 1.67 O ATOM 937 ND2 ASN A 62 12.469 6.532 -50.173 1.00 0.76 N ATOM 0 H ASN A 62 10.091 6.314 -48.541 1.00 0.51 H new ATOM 0 HA ASN A 62 9.186 5.964 -51.195 1.00 0.57 H new ATOM 0 HB2 ASN A 62 11.141 4.507 -49.415 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.752 3.901 -51.012 1.00 0.75 H new ATOM 0 HD21 ASN A 62 13.149 7.203 -50.530 1.00 0.76 H new ATOM 0 HD22 ASN A 62 12.315 6.447 -49.168 1.00 0.76 H new ATOM 944 N ASN A 63 7.820 4.098 -48.966 1.00 0.57 N ATOM 945 CA ASN A 63 6.813 3.063 -48.694 1.00 0.66 C ATOM 946 C ASN A 63 5.676 3.064 -49.733 1.00 0.67 C ATOM 947 O ASN A 63 5.026 2.042 -49.949 1.00 0.86 O ATOM 948 CB ASN A 63 6.232 3.273 -47.283 1.00 0.73 C ATOM 949 CG ASN A 63 5.229 2.206 -46.880 1.00 1.03 C ATOM 950 OD1 ASN A 63 5.599 1.160 -46.350 1.00 1.81 O ATOM 951 ND2 ASN A 63 3.948 2.469 -47.101 1.00 1.00 N ATOM 0 H ASN A 63 8.069 4.656 -48.149 1.00 0.57 H new ATOM 0 HA ASN A 63 7.308 2.094 -48.759 1.00 0.66 H new ATOM 0 HB2 ASN A 63 7.048 3.286 -46.560 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.750 4.250 -47.238 1.00 0.73 H new ATOM 0 HD21 ASN A 63 3.234 1.793 -46.829 1.00 1.00 H new ATOM 0 HD22 ASN A 63 3.677 3.347 -47.543 1.00 1.00 H new ATOM 958 N PHE A 64 5.445 4.203 -50.384 1.00 0.60 N ATOM 959 CA PHE A 64 4.373 4.310 -51.368 1.00 0.67 C ATOM 960 C PHE A 64 4.902 4.649 -52.766 1.00 0.60 C ATOM 961 O PHE A 64 4.125 5.036 -53.637 1.00 0.65 O ATOM 962 CB PHE A 64 3.360 5.375 -50.940 1.00 0.80 C ATOM 963 CG PHE A 64 2.634 5.054 -49.665 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.695 4.036 -49.625 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.888 5.774 -48.508 1.00 2.11 C ATOM 966 CE1 PHE A 64 1.024 3.740 -48.456 1.00 2.66 C ATOM 967 CE2 PHE A 64 2.219 5.482 -47.336 1.00 2.95 C ATOM 968 CZ PHE A 64 1.285 4.464 -47.309 1.00 3.19 C ATOM 0 H PHE A 64 5.983 5.059 -50.248 1.00 0.60 H new ATOM 0 HA PHE A 64 3.889 3.334 -51.416 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.878 6.327 -50.821 1.00 0.80 H new ATOM 0 HB3 PHE A 64 2.629 5.508 -51.738 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.486 3.468 -50.519 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.616 6.571 -48.523 1.00 2.11 H new ATOM 0 HE1 PHE A 64 0.295 2.943 -48.438 1.00 2.66 H new ATOM 0 HE2 PHE A 64 2.426 6.049 -46.440 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.760 4.235 -46.393 1.00 3.19 H new ATOM 978 N GLU A 65 6.207 4.481 -52.997 1.00 0.58 N ATOM 979 CA GLU A 65 6.802 4.865 -54.289 1.00 0.61 C ATOM 980 C GLU A 65 6.331 3.954 -55.422 1.00 0.65 C ATOM 981 O GLU A 65 6.468 4.289 -56.598 1.00 0.75 O ATOM 982 CB GLU A 65 8.345 4.904 -54.223 1.00 0.71 C ATOM 983 CG GLU A 65 9.035 3.580 -53.892 1.00 0.87 C ATOM 984 CD GLU A 65 9.024 2.580 -55.033 1.00 1.55 C ATOM 985 OE1 GLU A 65 9.548 2.903 -56.122 1.00 2.11 O ATOM 986 OE2 GLU A 65 8.484 1.468 -54.843 1.00 2.14 O ATOM 0 H GLU A 65 6.865 4.089 -52.323 1.00 0.58 H new ATOM 0 HA GLU A 65 6.454 5.875 -54.505 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.721 5.257 -55.183 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.638 5.641 -53.475 1.00 0.71 H new ATOM 0 HG2 GLU A 65 10.068 3.781 -53.608 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.547 3.134 -53.026 1.00 0.87 H new ATOM 993 N ASP A 66 5.762 2.811 -55.065 1.00 0.69 N ATOM 994 CA ASP A 66 5.260 1.856 -56.052 1.00 0.84 C ATOM 995 C ASP A 66 3.843 2.242 -56.485 1.00 0.80 C ATOM 996 O ASP A 66 3.123 1.450 -57.094 1.00 0.93 O ATOM 997 CB ASP A 66 5.282 0.441 -55.455 1.00 1.00 C ATOM 998 CG ASP A 66 4.965 -0.647 -56.465 1.00 1.40 C ATOM 999 OD1 ASP A 66 5.799 -0.893 -57.359 1.00 2.03 O ATOM 1000 OD2 ASP A 66 3.885 -1.271 -56.358 1.00 1.94 O ATOM 0 H ASP A 66 5.635 2.519 -54.096 1.00 0.69 H new ATOM 0 HA ASP A 66 5.901 1.874 -56.933 1.00 0.84 H new ATOM 0 HB2 ASP A 66 6.266 0.252 -55.026 1.00 1.00 H new ATOM 0 HB3 ASP A 66 4.562 0.389 -54.638 1.00 1.00 H new ATOM 1005 N LYS A 67 3.462 3.483 -56.173 1.00 0.78 N ATOM 1006 CA LYS A 67 2.112 3.979 -56.435 1.00 0.88 C ATOM 1007 C LYS A 67 1.094 3.095 -55.738 1.00 0.78 C ATOM 1008 O LYS A 67 0.136 2.618 -56.351 1.00 0.86 O ATOM 1009 CB LYS A 67 1.812 4.029 -57.936 1.00 1.17 C ATOM 1010 CG LYS A 67 2.681 4.999 -58.720 1.00 1.67 C ATOM 1011 CD LYS A 67 2.153 5.209 -60.138 1.00 2.00 C ATOM 1012 CE LYS A 67 2.395 4.007 -61.051 1.00 2.46 C ATOM 1013 NZ LYS A 67 1.653 2.790 -60.624 1.00 3.31 N ATOM 0 H LYS A 67 4.078 4.168 -55.734 1.00 0.78 H new ATOM 0 HA LYS A 67 2.047 4.995 -56.045 1.00 0.88 H new ATOM 0 HB2 LYS A 67 1.938 3.030 -58.352 1.00 1.17 H new ATOM 0 HB3 LYS A 67 0.766 4.303 -58.076 1.00 1.17 H new ATOM 0 HG2 LYS A 67 2.719 5.956 -58.200 1.00 1.67 H new ATOM 0 HG3 LYS A 67 3.702 4.620 -58.764 1.00 1.67 H new ATOM 0 HD2 LYS A 67 1.084 5.415 -60.094 1.00 2.00 H new ATOM 0 HD3 LYS A 67 2.630 6.088 -60.571 1.00 2.00 H new ATOM 0 HE2 LYS A 67 2.101 4.266 -62.068 1.00 2.46 H new ATOM 0 HE3 LYS A 67 3.462 3.785 -61.074 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 1.309 2.281 -61.463 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 2.286 2.171 -60.079 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 0.845 3.066 -60.031 1.00 3.31 H new ATOM 1027 N LYS A 68 1.311 2.867 -54.455 1.00 0.83 N ATOM 1028 CA LYS A 68 0.457 1.973 -53.701 1.00 0.90 C ATOM 1029 C LYS A 68 -0.859 2.657 -53.360 1.00 0.82 C ATOM 1030 O LYS A 68 -0.985 3.288 -52.313 1.00 0.87 O ATOM 1031 CB LYS A 68 1.152 1.525 -52.417 1.00 1.16 C ATOM 1032 CG LYS A 68 2.545 0.950 -52.627 1.00 1.35 C ATOM 1033 CD LYS A 68 2.519 -0.324 -53.458 1.00 1.37 C ATOM 1034 CE LYS A 68 1.800 -1.456 -52.741 1.00 1.55 C ATOM 1035 NZ LYS A 68 1.838 -2.720 -53.520 1.00 1.99 N ATOM 0 H LYS A 68 2.069 3.288 -53.917 1.00 0.83 H new ATOM 0 HA LYS A 68 0.253 1.097 -54.317 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.221 2.376 -51.739 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.532 0.775 -51.925 1.00 1.16 H new ATOM 0 HG2 LYS A 68 3.172 1.692 -53.121 1.00 1.35 H new ATOM 0 HG3 LYS A 68 3.000 0.742 -51.659 1.00 1.35 H new ATOM 0 HD2 LYS A 68 2.026 -0.126 -54.410 1.00 1.37 H new ATOM 0 HD3 LYS A 68 3.540 -0.630 -53.686 1.00 1.37 H new ATOM 0 HE2 LYS A 68 2.259 -1.617 -51.766 1.00 1.55 H new ATOM 0 HE3 LYS A 68 0.763 -1.171 -52.562 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 1.337 -3.466 -52.996 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 1.377 -2.574 -54.441 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 2.827 -3.006 -53.669 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.830 2.533 -54.251 1.00 0.84 N ATOM 1050 CA LEU A 69 -3.151 3.093 -54.026 1.00 0.91 C ATOM 1051 C LEU A 69 -3.893 2.257 -52.993 1.00 0.85 C ATOM 1052 O LEU A 69 -4.343 2.763 -51.964 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.922 3.157 -55.355 1.00 1.16 C ATOM 1054 CG LEU A 69 -5.280 3.870 -55.319 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -5.639 4.385 -56.704 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -6.373 2.935 -54.821 1.00 2.33 C ATOM 0 H LEU A 69 -1.726 2.046 -55.141 1.00 0.84 H new ATOM 0 HA LEU A 69 -3.061 4.108 -53.639 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.293 3.656 -56.092 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.080 2.138 -55.709 1.00 1.16 H new ATOM 0 HG LEU A 69 -5.202 4.711 -54.630 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.605 4.889 -56.666 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -4.876 5.087 -57.040 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.694 3.548 -57.400 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -7.326 3.465 -54.805 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -6.447 2.075 -55.487 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -6.130 2.595 -53.814 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.988 0.966 -53.269 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.700 0.048 -52.392 1.00 0.91 C ATOM 1070 C LEU A 70 -3.971 -0.105 -51.062 1.00 0.79 C ATOM 1071 O LEU A 70 -4.595 -0.292 -50.019 1.00 0.80 O ATOM 1072 CB LEU A 70 -4.952 -1.321 -53.081 1.00 1.06 C ATOM 1073 CG LEU A 70 -3.744 -2.249 -53.394 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -2.618 -1.523 -54.123 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.224 -2.934 -52.136 1.00 1.07 C ATOM 0 H LEU A 70 -3.580 0.529 -54.095 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.680 0.475 -52.181 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.642 -1.883 -52.451 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.467 -1.125 -54.022 1.00 1.06 H new ATOM 0 HG LEU A 70 -4.117 -3.018 -54.071 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -1.801 -2.219 -54.316 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -2.991 -1.130 -55.069 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.256 -0.701 -53.506 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -2.380 -3.574 -52.393 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -2.902 -2.180 -51.418 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -4.017 -3.538 -51.696 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.646 0.007 -51.094 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.846 -0.144 -49.889 1.00 0.70 C ATOM 1089 C ASP A 71 -1.997 1.082 -48.997 1.00 0.63 C ATOM 1090 O ASP A 71 -2.033 0.972 -47.776 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.381 -0.383 -50.233 1.00 0.77 C ATOM 1092 CG ASP A 71 0.433 -0.825 -49.032 1.00 1.25 C ATOM 1093 OD1 ASP A 71 0.212 -1.956 -48.542 1.00 1.58 O ATOM 1094 OD2 ASP A 71 1.311 -0.055 -48.590 1.00 2.08 O ATOM 0 H ASP A 71 -2.108 0.201 -51.939 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.208 -1.016 -49.345 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -0.313 -1.142 -51.013 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.047 0.533 -50.641 1.00 0.77 H new ATOM 1099 N ARG A 72 -2.119 2.253 -49.621 1.00 0.67 N ATOM 1100 CA ARG A 72 -2.379 3.485 -48.883 1.00 0.74 C ATOM 1101 C ARG A 72 -3.725 3.376 -48.179 1.00 0.67 C ATOM 1102 O ARG A 72 -3.886 3.818 -47.044 1.00 0.68 O ATOM 1103 CB ARG A 72 -2.365 4.693 -49.835 1.00 0.92 C ATOM 1104 CG ARG A 72 -2.311 6.054 -49.143 1.00 1.31 C ATOM 1105 CD ARG A 72 -3.644 6.796 -49.210 1.00 1.53 C ATOM 1106 NE ARG A 72 -4.649 6.230 -48.311 1.00 1.92 N ATOM 1107 CZ ARG A 72 -5.913 6.653 -48.236 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -6.344 7.650 -49.003 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -6.751 6.079 -47.382 1.00 2.93 N ATOM 0 H ARG A 72 -2.042 2.373 -50.631 1.00 0.67 H new ATOM 0 HA ARG A 72 -1.596 3.631 -48.139 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -1.505 4.604 -50.499 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -3.256 4.655 -50.461 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -2.027 5.917 -48.100 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -1.536 6.664 -49.607 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -3.485 7.844 -48.957 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -4.020 6.768 -50.233 1.00 1.53 H new ATOM 0 HE ARG A 72 -4.366 5.462 -47.702 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -5.706 8.101 -49.659 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -7.312 7.963 -48.936 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -6.429 5.317 -46.785 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -7.717 6.400 -47.322 1.00 2.93 H new ATOM 1123 N HIS A 73 -4.691 2.779 -48.865 1.00 0.68 N ATOM 1124 CA HIS A 73 -6.028 2.601 -48.316 1.00 0.71 C ATOM 1125 C HIS A 73 -5.996 1.655 -47.115 1.00 0.62 C ATOM 1126 O HIS A 73 -6.498 1.989 -46.042 1.00 0.62 O ATOM 1127 CB HIS A 73 -6.970 2.063 -49.399 1.00 0.82 C ATOM 1128 CG HIS A 73 -8.416 2.031 -49.002 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -9.277 3.079 -49.228 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -9.155 1.061 -48.420 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -10.481 2.756 -48.801 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -10.440 1.533 -48.306 1.00 1.15 N ATOM 0 H HIS A 73 -4.572 2.408 -49.808 1.00 0.68 H new ATOM 0 HA HIS A 73 -6.398 3.568 -47.976 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -6.865 2.678 -50.293 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -6.657 1.054 -49.667 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.800 0.092 -48.102 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -11.356 3.387 -48.848 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -11.229 1.025 -47.907 1.00 1.15 H new ATOM 1141 N ARG A 74 -5.385 0.491 -47.299 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.356 -0.536 -46.261 1.00 0.59 C ATOM 1143 C ARG A 74 -4.537 -0.092 -45.043 1.00 0.51 C ATOM 1144 O ARG A 74 -5.007 -0.199 -43.911 1.00 0.52 O ATOM 1145 CB ARG A 74 -4.816 -1.856 -46.831 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.393 -1.757 -47.349 1.00 0.74 C ATOM 1147 CD ARG A 74 -2.995 -2.950 -48.206 1.00 0.86 C ATOM 1148 NE ARG A 74 -2.963 -4.196 -47.450 1.00 0.88 N ATOM 1149 CZ ARG A 74 -1.845 -4.834 -47.111 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -0.652 -4.315 -47.404 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -1.925 -5.990 -46.465 1.00 1.32 N ATOM 0 H ARG A 74 -4.901 0.233 -48.159 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.380 -0.694 -45.921 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -4.859 -2.621 -46.056 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.467 -2.185 -47.641 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.286 -0.843 -47.934 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.708 -1.677 -46.505 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -3.698 -3.049 -49.033 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.013 -2.768 -48.642 1.00 0.86 H new ATOM 0 HE ARG A 74 -3.853 -4.604 -47.163 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -0.590 -3.421 -47.892 1.00 1.67 H new ATOM 0 HH12 ARG A 74 0.199 -4.812 -47.140 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -2.837 -6.382 -46.232 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -1.074 -6.487 -46.201 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.331 0.429 -45.273 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.443 0.825 -44.178 1.00 0.46 C ATOM 1167 C LEU A 75 -3.068 1.919 -43.322 1.00 0.42 C ATOM 1168 O LEU A 75 -3.037 1.847 -42.091 1.00 0.42 O ATOM 1169 CB LEU A 75 -1.086 1.290 -44.719 1.00 0.51 C ATOM 1170 CG LEU A 75 0.017 0.223 -44.740 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.424 -0.151 -43.325 1.00 1.48 C ATOM 1172 CD2 LEU A 75 -0.435 -1.013 -45.499 1.00 1.36 C ATOM 0 H LEU A 75 -2.947 0.586 -46.205 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.289 -0.052 -43.549 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -1.227 1.662 -45.734 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.743 2.131 -44.116 1.00 0.51 H new ATOM 0 HG LEU A 75 0.881 0.644 -45.254 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.207 -0.909 -43.360 1.00 1.48 H new ATOM 0 HD12 LEU A 75 0.797 0.733 -42.808 1.00 1.48 H new ATOM 0 HD13 LEU A 75 -0.440 -0.546 -42.790 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.365 -1.753 -45.499 1.00 1.36 H new ATOM 0 HD22 LEU A 75 -1.318 -1.433 -45.017 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -0.677 -0.741 -46.526 1.00 1.36 H new ATOM 1184 N VAL A 76 -3.645 2.921 -43.973 1.00 0.45 N ATOM 1185 CA VAL A 76 -4.308 4.001 -43.258 1.00 0.50 C ATOM 1186 C VAL A 76 -5.450 3.461 -42.402 1.00 0.48 C ATOM 1187 O VAL A 76 -5.605 3.848 -41.253 1.00 0.50 O ATOM 1188 CB VAL A 76 -4.831 5.093 -44.224 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -5.786 6.046 -43.520 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -3.665 5.868 -44.818 1.00 0.82 C ATOM 0 H VAL A 76 -3.667 3.007 -44.989 1.00 0.45 H new ATOM 0 HA VAL A 76 -3.566 4.461 -42.606 1.00 0.50 H new ATOM 0 HB VAL A 76 -5.380 4.597 -45.025 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -6.134 6.800 -44.226 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -6.639 5.488 -43.135 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -5.269 6.534 -42.694 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -4.044 6.633 -45.496 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -3.097 6.342 -44.017 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -3.017 5.185 -45.368 1.00 0.82 H new ATOM 1200 N ASN A 77 -6.225 2.539 -42.949 1.00 0.48 N ATOM 1201 CA ASN A 77 -7.341 1.961 -42.208 1.00 0.53 C ATOM 1202 C ASN A 77 -6.848 1.152 -41.010 1.00 0.49 C ATOM 1203 O ASN A 77 -7.391 1.269 -39.914 1.00 0.54 O ATOM 1204 CB ASN A 77 -8.204 1.083 -43.121 1.00 0.61 C ATOM 1205 CG ASN A 77 -9.177 1.883 -43.973 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -10.224 1.376 -44.376 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -8.848 3.138 -44.247 1.00 0.92 N ATOM 0 H ASN A 77 -6.106 2.175 -43.895 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.952 2.784 -41.836 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.555 0.499 -43.773 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.763 0.374 -42.510 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -9.471 3.718 -44.809 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -7.972 3.524 -43.896 1.00 0.92 H new ATOM 1214 N THR A 78 -5.807 0.355 -41.217 1.00 0.45 N ATOM 1215 CA THR A 78 -5.281 -0.511 -40.168 1.00 0.50 C ATOM 1216 C THR A 78 -4.770 0.290 -38.965 1.00 0.46 C ATOM 1217 O THR A 78 -5.218 0.078 -37.839 1.00 0.50 O ATOM 1218 CB THR A 78 -4.152 -1.413 -40.707 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.620 -2.147 -41.847 1.00 0.62 O ATOM 1220 CG2 THR A 78 -3.675 -2.390 -39.643 1.00 0.69 C ATOM 0 H THR A 78 -5.309 0.290 -42.105 1.00 0.45 H new ATOM 0 HA THR A 78 -6.109 -1.136 -39.834 1.00 0.50 H new ATOM 0 HB THR A 78 -3.316 -0.774 -40.992 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.743 -1.535 -42.602 1.00 0.62 H new ATOM 0 HG21 THR A 78 -2.879 -3.013 -40.051 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.297 -1.836 -38.783 1.00 0.69 H new ATOM 0 HG23 THR A 78 -4.506 -3.022 -39.331 1.00 0.69 H new ATOM 1228 N ILE A 79 -3.847 1.218 -39.197 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.253 1.976 -38.097 1.00 0.45 C ATOM 1230 C ILE A 79 -4.185 3.084 -37.617 1.00 0.45 C ATOM 1231 O ILE A 79 -4.450 3.213 -36.416 1.00 0.50 O ATOM 1232 CB ILE A 79 -1.879 2.591 -38.470 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -0.829 1.499 -38.671 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.408 3.573 -37.405 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.799 0.930 -40.068 1.00 0.77 C ATOM 0 H ILE A 79 -3.497 1.463 -40.123 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.097 1.258 -37.292 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.007 3.132 -39.407 1.00 0.51 H new ATOM 0 HG12 ILE A 79 0.154 1.906 -38.434 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.019 0.691 -37.964 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.442 3.988 -37.694 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.135 4.380 -37.307 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.310 3.055 -36.451 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.029 0.161 -40.131 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -1.769 0.492 -40.303 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.578 1.725 -40.780 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.711 3.863 -38.554 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.501 5.032 -38.198 1.00 0.52 C ATOM 1249 C LEU A 80 -6.877 4.644 -37.670 1.00 0.56 C ATOM 1250 O LEU A 80 -7.618 5.500 -37.212 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.627 6.025 -39.362 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.375 6.867 -39.656 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.250 6.009 -40.218 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.715 7.994 -40.616 1.00 0.71 C ATOM 0 H LEU A 80 -4.606 3.708 -39.557 1.00 0.45 H new ATOM 0 HA LEU A 80 -4.961 5.535 -37.396 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.889 5.470 -40.263 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.456 6.701 -39.151 1.00 0.56 H new ATOM 0 HG LEU A 80 -4.028 7.296 -38.716 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.379 6.634 -40.415 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.986 5.237 -39.496 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.578 5.541 -41.146 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.820 8.583 -40.817 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -5.091 7.576 -41.550 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.478 8.633 -40.171 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.218 3.359 -37.732 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.385 2.856 -37.014 1.00 0.68 C ATOM 1268 C LYS A 81 -8.328 3.328 -35.563 1.00 0.68 C ATOM 1269 O LYS A 81 -9.254 3.958 -35.062 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.424 1.323 -37.078 1.00 0.77 C ATOM 1271 CG LYS A 81 -9.340 0.663 -36.053 1.00 1.02 C ATOM 1272 CD LYS A 81 -10.789 1.104 -36.194 1.00 0.99 C ATOM 1273 CE LYS A 81 -11.661 0.432 -35.148 1.00 1.56 C ATOM 1274 NZ LYS A 81 -13.071 0.889 -35.213 1.00 1.93 N ATOM 0 H LYS A 81 -6.709 2.654 -38.266 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.292 3.242 -37.480 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.743 1.023 -38.076 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.412 0.942 -36.939 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -9.281 -0.420 -36.163 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -8.988 0.901 -35.049 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -10.856 2.187 -36.089 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.154 0.857 -37.191 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -11.625 -0.648 -35.287 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -11.260 0.639 -34.156 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.627 0.403 -34.481 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.111 1.916 -35.054 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.465 0.668 -36.150 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.217 3.029 -34.911 1.00 0.69 N ATOM 1289 CA GLU A 82 -6.989 3.436 -33.535 1.00 0.73 C ATOM 1290 C GLU A 82 -6.654 4.929 -33.460 1.00 0.67 C ATOM 1291 O GLU A 82 -7.113 5.639 -32.568 1.00 0.68 O ATOM 1292 CB GLU A 82 -5.848 2.598 -32.952 1.00 0.90 C ATOM 1293 CG GLU A 82 -5.527 2.885 -31.498 1.00 1.53 C ATOM 1294 CD GLU A 82 -4.305 2.123 -31.029 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -4.325 0.874 -31.070 1.00 2.91 O ATOM 1296 OE2 GLU A 82 -3.310 2.765 -30.631 1.00 2.75 O ATOM 0 H GLU A 82 -6.448 2.498 -35.320 1.00 0.69 H new ATOM 0 HA GLU A 82 -7.896 3.271 -32.954 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -6.103 1.543 -33.052 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -4.951 2.767 -33.548 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -5.361 3.954 -31.367 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -6.382 2.617 -30.878 1.00 1.53 H new ATOM 1303 N GLU A 83 -5.854 5.383 -34.417 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.388 6.770 -34.477 1.00 0.64 C ATOM 1305 C GLU A 83 -6.547 7.767 -34.431 1.00 0.55 C ATOM 1306 O GLU A 83 -6.563 8.691 -33.611 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.617 6.970 -35.773 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.984 8.330 -35.895 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.681 8.411 -35.133 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -2.726 8.556 -33.893 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -1.616 8.299 -35.772 1.00 1.66 O ATOM 0 H GLU A 83 -5.507 4.800 -35.178 1.00 0.64 H new ATOM 0 HA GLU A 83 -4.755 6.952 -33.609 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -3.840 6.209 -35.844 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.292 6.816 -36.615 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.805 8.555 -36.946 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -4.673 9.087 -35.520 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.519 7.545 -35.308 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.685 8.418 -35.467 1.00 0.48 C ATOM 1320 C LEU A 84 -9.373 8.724 -34.142 1.00 0.52 C ATOM 1321 O LEU A 84 -9.978 9.778 -34.005 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.709 7.817 -36.436 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.264 7.718 -37.898 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -10.388 7.163 -38.760 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.807 9.070 -38.423 1.00 0.51 C ATOM 0 H LEU A 84 -7.523 6.744 -35.939 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.301 9.352 -35.877 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -9.969 6.818 -36.087 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.618 8.417 -36.392 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.417 7.034 -37.948 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -10.055 7.099 -39.796 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.662 6.169 -38.405 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -11.254 7.822 -38.697 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -8.497 8.970 -39.463 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.629 9.783 -38.356 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.968 9.427 -37.826 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.320 7.793 -33.189 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.015 7.965 -31.910 1.00 0.67 C ATOM 1339 C GLN A 85 -9.665 9.303 -31.244 1.00 0.70 C ATOM 1340 O GLN A 85 -10.461 9.844 -30.478 1.00 0.81 O ATOM 1341 CB GLN A 85 -9.686 6.830 -30.932 1.00 0.75 C ATOM 1342 CG GLN A 85 -9.964 5.422 -31.449 1.00 0.80 C ATOM 1343 CD GLN A 85 -11.221 5.319 -32.289 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -12.327 5.169 -31.769 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.047 5.333 -33.598 1.00 0.72 N ATOM 0 H GLN A 85 -8.806 6.916 -33.276 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.080 7.948 -32.141 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -8.632 6.899 -30.663 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -10.259 6.983 -30.018 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -9.113 5.088 -32.042 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -10.048 4.743 -30.601 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.113 5.460 -33.987 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -11.847 5.217 -34.220 1.00 0.72 H new ATOM 1354 N ASN A 86 -8.483 9.835 -31.544 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.023 11.076 -30.921 1.00 0.71 C ATOM 1356 C ASN A 86 -8.229 12.272 -31.852 1.00 0.67 C ATOM 1357 O ASN A 86 -7.880 13.403 -31.514 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.538 10.973 -30.548 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.225 9.760 -29.690 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.349 9.798 -28.463 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -5.794 8.681 -30.329 1.00 0.87 N ATOM 0 H ASN A 86 -7.827 9.429 -32.212 1.00 0.64 H new ATOM 0 HA ASN A 86 -8.614 11.228 -30.018 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -5.942 10.930 -31.460 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.240 11.875 -30.014 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -5.551 7.841 -29.804 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -5.706 8.691 -31.345 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.799 12.021 -33.023 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.965 13.056 -34.039 1.00 0.62 C ATOM 1370 C ILE A 87 -10.403 13.061 -34.549 1.00 0.67 C ATOM 1371 O ILE A 87 -11.210 12.228 -34.145 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.015 12.837 -35.241 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.857 11.910 -34.857 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.480 14.175 -35.739 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.960 11.537 -36.016 1.00 0.59 C ATOM 0 H ILE A 87 -9.156 11.105 -33.295 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.723 14.010 -33.572 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.580 12.363 -36.044 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.257 12.395 -34.087 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -7.264 10.999 -34.418 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -6.813 14.008 -36.585 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.312 14.806 -36.052 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -6.932 14.669 -34.937 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -5.165 10.880 -35.664 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.545 11.023 -36.778 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.522 12.440 -36.442 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.729 14.007 -35.420 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.055 14.043 -36.031 1.00 0.80 C ATOM 1389 C HIS A 88 -11.931 14.006 -37.545 1.00 0.76 C ATOM 1390 O HIS A 88 -12.178 12.981 -38.183 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.823 15.307 -35.629 1.00 0.95 C ATOM 1392 CG HIS A 88 -12.765 15.624 -34.171 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -13.396 14.879 -33.204 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -12.130 16.620 -33.524 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -13.151 15.403 -32.019 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -12.383 16.464 -32.184 1.00 1.85 N ATOM 0 H HIS A 88 -10.102 14.754 -35.718 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.604 13.171 -35.676 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.425 16.153 -36.189 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -13.866 15.193 -35.923 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -11.532 17.398 -33.976 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -13.516 15.028 -31.074 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -12.035 17.068 -31.439 1.00 1.85 H new ATOM 1405 N ALA A 89 -11.511 15.128 -38.108 1.00 0.69 N ATOM 1406 CA ALA A 89 -11.432 15.289 -39.546 1.00 0.68 C ATOM 1407 C ALA A 89 -9.982 15.215 -40.013 1.00 0.62 C ATOM 1408 O ALA A 89 -9.468 16.146 -40.631 1.00 0.73 O ATOM 1409 CB ALA A 89 -12.061 16.616 -39.938 1.00 0.78 C ATOM 0 H ALA A 89 -11.217 15.949 -37.580 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.979 14.480 -40.031 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -12.003 16.741 -41.019 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -13.105 16.630 -39.626 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.526 17.431 -39.450 1.00 0.78 H new ATOM 1415 N PHE A 90 -9.329 14.103 -39.706 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.925 13.924 -40.048 1.00 0.47 C ATOM 1417 C PHE A 90 -7.760 13.640 -41.538 1.00 0.48 C ATOM 1418 O PHE A 90 -8.605 12.988 -42.154 1.00 0.63 O ATOM 1419 CB PHE A 90 -7.324 12.782 -39.225 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.840 12.622 -39.404 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.957 13.479 -38.766 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -5.329 11.616 -40.207 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -3.593 13.335 -38.927 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.966 11.467 -40.372 1.00 0.51 C ATOM 1425 CZ PHE A 90 -3.097 12.328 -39.730 1.00 0.49 C ATOM 0 H PHE A 90 -9.749 13.311 -39.220 1.00 0.52 H new ATOM 0 HA PHE A 90 -7.396 14.848 -39.815 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -7.537 12.955 -38.170 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.817 11.849 -39.500 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -5.340 14.268 -38.136 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -6.004 10.940 -40.710 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.915 14.010 -38.425 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.580 10.679 -41.002 1.00 0.51 H new ATOM 0 HZ PHE A 90 -2.031 12.213 -39.856 1.00 0.49 H new ATOM 1435 N SER A 91 -6.673 14.138 -42.105 1.00 0.44 N ATOM 1436 CA SER A 91 -6.370 13.930 -43.510 1.00 0.48 C ATOM 1437 C SER A 91 -4.870 13.683 -43.678 1.00 0.45 C ATOM 1438 O SER A 91 -4.097 13.887 -42.741 1.00 0.52 O ATOM 1439 CB SER A 91 -6.832 15.149 -44.317 1.00 0.56 C ATOM 1440 OG SER A 91 -6.492 15.035 -45.690 1.00 1.27 O ATOM 0 H SER A 91 -5.979 14.695 -41.606 1.00 0.44 H new ATOM 0 HA SER A 91 -6.901 13.054 -43.883 1.00 0.48 H new ATOM 0 HB2 SER A 91 -7.912 15.261 -44.219 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.379 16.050 -43.904 1.00 0.56 H new ATOM 0 HG SER A 91 -5.623 15.459 -45.848 1.00 1.27 H new ATOM 1446 N MET A 92 -4.461 13.227 -44.856 1.00 0.48 N ATOM 1447 CA MET A 92 -3.060 12.922 -45.108 1.00 0.48 C ATOM 1448 C MET A 92 -2.708 13.173 -46.571 1.00 0.53 C ATOM 1449 O MET A 92 -3.557 13.044 -47.453 1.00 0.62 O ATOM 1450 CB MET A 92 -2.744 11.464 -44.737 1.00 0.52 C ATOM 1451 CG MET A 92 -3.372 10.422 -45.659 1.00 0.61 C ATOM 1452 SD MET A 92 -5.174 10.347 -45.545 1.00 0.64 S ATOM 1453 CE MET A 92 -5.392 9.874 -43.830 1.00 0.64 C ATOM 0 H MET A 92 -5.079 13.061 -45.650 1.00 0.48 H new ATOM 0 HA MET A 92 -2.457 13.581 -44.483 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.662 11.328 -44.741 1.00 0.52 H new ATOM 0 HB3 MET A 92 -3.085 11.280 -43.718 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.090 10.643 -46.688 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.960 9.442 -45.419 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.372 9.416 -43.701 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.618 9.160 -43.548 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.318 10.758 -43.197 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.455 13.539 -46.818 1.00 0.52 N ATOM 1464 CA LYS A 93 -0.975 13.767 -48.177 1.00 0.59 C ATOM 1465 C LYS A 93 0.257 12.907 -48.448 1.00 0.49 C ATOM 1466 O LYS A 93 1.331 13.152 -47.895 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.640 15.248 -48.395 1.00 0.70 C ATOM 1468 CG LYS A 93 -1.817 16.184 -48.160 1.00 1.14 C ATOM 1469 CD LYS A 93 -2.980 15.872 -49.088 1.00 1.44 C ATOM 1470 CE LYS A 93 -4.233 16.630 -48.681 1.00 1.93 C ATOM 1471 NZ LYS A 93 -5.385 16.321 -49.570 1.00 2.23 N ATOM 0 H LYS A 93 -0.752 13.684 -46.094 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.767 13.487 -48.872 1.00 0.59 H new ATOM 0 HB2 LYS A 93 0.175 15.529 -47.728 1.00 0.70 H new ATOM 0 HB3 LYS A 93 -0.278 15.383 -49.414 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -2.146 16.101 -47.124 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -1.497 17.215 -48.312 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -2.711 16.133 -50.111 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -3.181 14.801 -49.075 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -4.491 16.378 -47.652 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -4.033 17.701 -48.706 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -6.219 16.859 -49.257 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -5.149 16.585 -50.548 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -5.593 15.303 -49.527 1.00 2.23 H new ATOM 1485 N CYS A 94 0.096 11.901 -49.297 1.00 0.56 N ATOM 1486 CA CYS A 94 1.168 10.957 -49.582 1.00 0.54 C ATOM 1487 C CYS A 94 2.124 11.492 -50.647 1.00 0.52 C ATOM 1488 O CYS A 94 1.707 11.904 -51.731 1.00 0.64 O ATOM 1489 CB CYS A 94 0.577 9.615 -50.017 1.00 0.73 C ATOM 1490 SG CYS A 94 -0.761 9.755 -51.228 1.00 1.38 S ATOM 0 H CYS A 94 -0.771 11.717 -49.802 1.00 0.56 H new ATOM 0 HA CYS A 94 1.746 10.816 -48.668 1.00 0.54 H new ATOM 0 HB2 CYS A 94 1.372 9.000 -50.439 1.00 0.73 H new ATOM 0 HB3 CYS A 94 0.203 9.092 -49.137 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.194 8.568 -51.535 1.00 1.38 H new ATOM 1496 N HIS A 95 3.407 11.493 -50.315 1.00 0.44 N ATOM 1497 CA HIS A 95 4.455 11.935 -51.226 1.00 0.50 C ATOM 1498 C HIS A 95 5.688 11.054 -51.070 1.00 0.44 C ATOM 1499 O HIS A 95 5.828 10.342 -50.073 1.00 0.44 O ATOM 1500 CB HIS A 95 4.841 13.395 -50.959 1.00 0.62 C ATOM 1501 CG HIS A 95 3.798 14.390 -51.360 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.036 15.096 -50.452 1.00 1.36 N ATOM 1503 CD2 HIS A 95 3.404 14.812 -52.584 1.00 1.84 C ATOM 1504 CE1 HIS A 95 2.224 15.908 -51.102 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.426 15.755 -52.397 1.00 1.98 N ATOM 0 H HIS A 95 3.752 11.187 -49.405 1.00 0.44 H new ATOM 0 HA HIS A 95 4.070 11.856 -52.242 1.00 0.50 H new ATOM 0 HB2 HIS A 95 5.051 13.515 -49.896 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.764 13.618 -51.494 1.00 0.62 H new ATOM 0 HD2 HIS A 95 3.789 14.469 -53.533 1.00 1.84 H new ATOM 0 HE1 HIS A 95 1.513 16.584 -50.650 1.00 1.65 H new ATOM 0 HE2 HIS A 95 1.935 16.256 -53.138 1.00 1.98 H new ATOM 1514 N THR A 96 6.575 11.102 -52.048 1.00 0.46 N ATOM 1515 CA THR A 96 7.821 10.359 -51.977 1.00 0.49 C ATOM 1516 C THR A 96 9.016 11.305 -51.863 1.00 0.46 C ATOM 1517 O THR A 96 8.939 12.464 -52.276 1.00 0.47 O ATOM 1518 CB THR A 96 7.993 9.435 -53.197 1.00 0.58 C ATOM 1519 OG1 THR A 96 7.629 10.126 -54.400 1.00 0.76 O ATOM 1520 CG2 THR A 96 7.149 8.180 -53.042 1.00 0.65 C ATOM 0 H THR A 96 6.456 11.648 -52.901 1.00 0.46 H new ATOM 0 HA THR A 96 7.779 9.739 -51.081 1.00 0.49 H new ATOM 0 HB THR A 96 9.041 9.143 -53.260 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.744 9.528 -55.168 1.00 0.76 H new ATOM 0 HG21 THR A 96 7.284 7.540 -53.914 1.00 0.65 H new ATOM 0 HG22 THR A 96 7.458 7.642 -52.146 1.00 0.65 H new ATOM 0 HG23 THR A 96 6.098 8.457 -52.955 1.00 0.65 H new ATOM 1528 N PRO A 97 10.132 10.827 -51.280 1.00 0.47 N ATOM 1529 CA PRO A 97 11.345 11.638 -51.083 1.00 0.48 C ATOM 1530 C PRO A 97 11.910 12.170 -52.393 1.00 0.52 C ATOM 1531 O PRO A 97 12.572 13.210 -52.420 1.00 0.54 O ATOM 1532 CB PRO A 97 12.333 10.664 -50.432 1.00 0.53 C ATOM 1533 CG PRO A 97 11.480 9.602 -49.833 1.00 0.72 C ATOM 1534 CD PRO A 97 10.298 9.466 -50.745 1.00 0.51 C ATOM 0 HA PRO A 97 11.142 12.523 -50.481 1.00 0.48 H new ATOM 0 HB2 PRO A 97 13.023 10.250 -51.167 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.937 11.161 -49.673 1.00 0.53 H new ATOM 0 HG2 PRO A 97 12.024 8.661 -49.755 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.167 9.874 -48.825 1.00 0.72 H new ATOM 0 HD2 PRO A 97 10.482 8.741 -51.538 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.410 9.133 -50.208 1.00 0.51 H new ATOM 1542 N LEU A 98 11.640 11.451 -53.474 1.00 0.60 N ATOM 1543 CA LEU A 98 12.063 11.873 -54.803 1.00 0.71 C ATOM 1544 C LEU A 98 11.426 13.214 -55.157 1.00 0.66 C ATOM 1545 O LEU A 98 12.099 14.129 -55.624 1.00 0.71 O ATOM 1546 CB LEU A 98 11.688 10.824 -55.862 1.00 0.88 C ATOM 1547 CG LEU A 98 12.468 9.500 -55.816 1.00 1.34 C ATOM 1548 CD1 LEU A 98 13.966 9.755 -55.771 1.00 2.08 C ATOM 1549 CD2 LEU A 98 12.034 8.637 -54.638 1.00 1.78 C ATOM 0 H LEU A 98 11.128 10.569 -53.456 1.00 0.60 H new ATOM 0 HA LEU A 98 13.148 11.980 -54.793 1.00 0.71 H new ATOM 0 HB2 LEU A 98 10.626 10.599 -55.760 1.00 0.88 H new ATOM 0 HB3 LEU A 98 11.826 11.268 -56.848 1.00 0.88 H new ATOM 0 HG LEU A 98 12.239 8.953 -56.731 1.00 1.34 H new ATOM 0 HD11 LEU A 98 14.496 8.803 -55.739 1.00 2.08 H new ATOM 0 HD12 LEU A 98 14.268 10.309 -56.660 1.00 2.08 H new ATOM 0 HD13 LEU A 98 14.210 10.336 -54.882 1.00 2.08 H new ATOM 0 HD21 LEU A 98 12.606 7.709 -54.637 1.00 1.78 H new ATOM 0 HD22 LEU A 98 12.213 9.175 -53.707 1.00 1.78 H new ATOM 0 HD23 LEU A 98 10.972 8.408 -54.726 1.00 1.78 H new ATOM 1561 N GLU A 99 10.128 13.320 -54.908 1.00 0.65 N ATOM 1562 CA GLU A 99 9.389 14.547 -55.171 1.00 0.72 C ATOM 1563 C GLU A 99 9.768 15.629 -54.169 1.00 0.64 C ATOM 1564 O GLU A 99 9.933 16.796 -54.530 1.00 0.71 O ATOM 1565 CB GLU A 99 7.889 14.272 -55.093 1.00 0.88 C ATOM 1566 CG GLU A 99 7.388 13.352 -56.190 1.00 1.19 C ATOM 1567 CD GLU A 99 7.137 14.077 -57.495 1.00 1.91 C ATOM 1568 OE1 GLU A 99 8.089 14.651 -58.068 1.00 2.69 O ATOM 1569 OE2 GLU A 99 5.978 14.062 -57.962 1.00 2.44 O ATOM 0 H GLU A 99 9.562 12.565 -54.521 1.00 0.65 H new ATOM 0 HA GLU A 99 9.643 14.898 -56.171 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.658 13.829 -54.124 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.350 15.218 -55.148 1.00 0.88 H new ATOM 0 HG2 GLU A 99 8.118 12.559 -56.355 1.00 1.19 H new ATOM 0 HG3 GLU A 99 6.465 12.873 -55.863 1.00 1.19 H new ATOM 1576 N TYR A 100 9.913 15.229 -52.909 1.00 0.57 N ATOM 1577 CA TYR A 100 10.241 16.164 -51.839 1.00 0.63 C ATOM 1578 C TYR A 100 11.531 16.923 -52.132 1.00 0.66 C ATOM 1579 O TYR A 100 11.612 18.126 -51.887 1.00 0.76 O ATOM 1580 CB TYR A 100 10.359 15.437 -50.497 1.00 0.67 C ATOM 1581 CG TYR A 100 10.819 16.335 -49.368 1.00 0.85 C ATOM 1582 CD1 TYR A 100 10.014 17.371 -48.908 1.00 0.98 C ATOM 1583 CD2 TYR A 100 12.061 16.155 -48.773 1.00 0.96 C ATOM 1584 CE1 TYR A 100 10.437 18.201 -47.888 1.00 1.17 C ATOM 1585 CE2 TYR A 100 12.489 16.979 -47.751 1.00 1.15 C ATOM 1586 CZ TYR A 100 11.674 18.001 -47.313 1.00 1.24 C ATOM 1587 OH TYR A 100 12.099 18.828 -46.298 1.00 1.46 O ATOM 0 H TYR A 100 9.808 14.261 -52.604 1.00 0.57 H new ATOM 0 HA TYR A 100 9.426 16.886 -51.782 1.00 0.63 H new ATOM 0 HB2 TYR A 100 9.392 15.007 -50.239 1.00 0.67 H new ATOM 0 HB3 TYR A 100 11.059 14.608 -50.601 1.00 0.67 H new ATOM 0 HD1 TYR A 100 9.044 17.529 -49.355 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.703 15.357 -49.116 1.00 0.96 H new ATOM 0 HE1 TYR A 100 9.802 19.003 -47.543 1.00 1.17 H new ATOM 0 HE2 TYR A 100 13.457 16.824 -47.297 1.00 1.15 H new ATOM 0 HH TYR A 100 11.551 18.674 -45.500 1.00 1.46 H new ATOM 1597 N ASP A 101 12.530 16.224 -52.663 1.00 0.66 N ATOM 1598 CA ASP A 101 13.824 16.837 -52.966 1.00 0.78 C ATOM 1599 C ASP A 101 13.663 18.008 -53.931 1.00 0.81 C ATOM 1600 O ASP A 101 14.351 19.021 -53.814 1.00 0.93 O ATOM 1601 CB ASP A 101 14.787 15.801 -53.553 1.00 0.88 C ATOM 1602 CG ASP A 101 16.151 16.390 -53.865 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.917 16.656 -52.917 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.465 16.578 -55.059 1.00 1.14 O ATOM 0 H ASP A 101 12.470 15.232 -52.893 1.00 0.66 H new ATOM 0 HA ASP A 101 14.240 17.216 -52.033 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.903 14.977 -52.849 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.357 15.385 -54.464 1.00 0.88 H new ATOM 1609 N LYS A 102 12.729 17.881 -54.865 1.00 0.75 N ATOM 1610 CA LYS A 102 12.476 18.946 -55.825 1.00 0.84 C ATOM 1611 C LYS A 102 11.736 20.096 -55.155 1.00 0.89 C ATOM 1612 O LYS A 102 11.934 21.258 -55.501 1.00 1.05 O ATOM 1613 CB LYS A 102 11.676 18.437 -57.033 1.00 0.88 C ATOM 1614 CG LYS A 102 12.530 17.935 -58.199 1.00 1.03 C ATOM 1615 CD LYS A 102 12.858 16.448 -58.104 1.00 1.09 C ATOM 1616 CE LYS A 102 13.915 16.145 -57.054 1.00 1.86 C ATOM 1617 NZ LYS A 102 15.227 16.769 -57.370 1.00 2.66 N ATOM 0 H LYS A 102 12.138 17.057 -54.978 1.00 0.75 H new ATOM 0 HA LYS A 102 13.440 19.302 -56.187 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.023 17.629 -56.705 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.033 19.241 -57.391 1.00 0.88 H new ATOM 0 HG2 LYS A 102 12.005 18.126 -59.135 1.00 1.03 H new ATOM 0 HG3 LYS A 102 13.459 18.504 -58.233 1.00 1.03 H new ATOM 0 HD2 LYS A 102 11.949 15.894 -57.869 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.205 16.094 -59.075 1.00 1.09 H new ATOM 0 HE2 LYS A 102 13.571 16.502 -56.083 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.040 15.065 -56.970 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 15.959 16.374 -56.746 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 15.475 16.573 -58.361 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 15.166 17.797 -57.225 1.00 2.66 H new ATOM 1631 N LEU A 103 10.897 19.768 -54.183 1.00 0.83 N ATOM 1632 CA LEU A 103 10.141 20.776 -53.450 1.00 0.97 C ATOM 1633 C LEU A 103 11.070 21.610 -52.575 1.00 1.12 C ATOM 1634 O LEU A 103 11.077 22.841 -52.656 1.00 1.31 O ATOM 1635 CB LEU A 103 9.061 20.115 -52.590 1.00 0.98 C ATOM 1636 CG LEU A 103 8.042 19.269 -53.356 1.00 0.91 C ATOM 1637 CD1 LEU A 103 7.036 18.649 -52.399 1.00 1.01 C ATOM 1638 CD2 LEU A 103 7.330 20.108 -54.406 1.00 1.00 C ATOM 0 H LEU A 103 10.722 18.809 -53.882 1.00 0.83 H new ATOM 0 HA LEU A 103 9.659 21.434 -54.173 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.548 19.483 -51.847 1.00 0.98 H new ATOM 0 HB3 LEU A 103 8.526 20.893 -52.046 1.00 0.98 H new ATOM 0 HG LEU A 103 8.577 18.466 -53.863 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.319 18.051 -52.962 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.558 18.012 -51.685 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.509 19.439 -51.864 1.00 1.01 H new ATOM 0 HD21 LEU A 103 6.610 19.488 -54.940 1.00 1.00 H new ATOM 0 HD22 LEU A 103 6.809 20.933 -53.920 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.060 20.505 -55.111 1.00 1.00 H new ATOM 1650 N LYS A 104 11.878 20.929 -51.765 1.00 1.09 N ATOM 1651 CA LYS A 104 12.805 21.594 -50.850 1.00 1.27 C ATOM 1652 C LYS A 104 13.924 22.307 -51.604 1.00 1.37 C ATOM 1653 O LYS A 104 14.642 23.124 -51.028 1.00 1.56 O ATOM 1654 CB LYS A 104 13.407 20.590 -49.858 1.00 1.32 C ATOM 1655 CG LYS A 104 13.987 19.346 -50.516 1.00 1.07 C ATOM 1656 CD LYS A 104 15.393 19.037 -50.028 1.00 1.22 C ATOM 1657 CE LYS A 104 16.380 20.093 -50.491 1.00 1.45 C ATOM 1658 NZ LYS A 104 17.782 19.754 -50.134 1.00 1.84 N ATOM 0 H LYS A 104 11.910 19.910 -51.724 1.00 1.09 H new ATOM 0 HA LYS A 104 12.233 22.341 -50.299 1.00 1.27 H new ATOM 0 HB2 LYS A 104 14.191 21.085 -49.285 1.00 1.32 H new ATOM 0 HB3 LYS A 104 12.636 20.288 -49.149 1.00 1.32 H new ATOM 0 HG2 LYS A 104 13.339 18.494 -50.312 1.00 1.07 H new ATOM 0 HG3 LYS A 104 14.002 19.483 -51.597 1.00 1.07 H new ATOM 0 HD2 LYS A 104 15.399 18.982 -48.939 1.00 1.22 H new ATOM 0 HD3 LYS A 104 15.702 18.059 -50.398 1.00 1.22 H new ATOM 0 HE2 LYS A 104 16.302 20.211 -51.572 1.00 1.45 H new ATOM 0 HE3 LYS A 104 16.117 21.053 -50.046 1.00 1.45 H new ATOM 0 HZ1 LYS A 104 18.417 20.505 -50.471 1.00 1.84 H new ATOM 0 HZ2 LYS A 104 17.866 19.667 -49.101 1.00 1.84 H new ATOM 0 HZ3 LYS A 104 18.045 18.852 -50.579 1.00 1.84 H new ATOM 1672 N SER A 105 14.068 21.992 -52.887 1.00 1.32 N ATOM 1673 CA SER A 105 15.084 22.614 -53.726 1.00 1.51 C ATOM 1674 C SER A 105 14.870 24.129 -53.769 1.00 1.66 C ATOM 1675 O SER A 105 15.826 24.905 -53.835 1.00 1.77 O ATOM 1676 CB SER A 105 15.030 22.019 -55.138 1.00 1.59 C ATOM 1677 OG SER A 105 16.238 22.232 -55.847 1.00 2.05 O ATOM 0 H SER A 105 13.489 21.305 -53.370 1.00 1.32 H new ATOM 0 HA SER A 105 16.070 22.416 -53.304 1.00 1.51 H new ATOM 0 HB2 SER A 105 14.830 20.949 -55.074 1.00 1.59 H new ATOM 0 HB3 SER A 105 14.202 22.465 -55.689 1.00 1.59 H new ATOM 0 HG SER A 105 16.166 21.838 -56.741 1.00 2.05 H new ATOM 1683 N LYS A 106 13.608 24.542 -53.723 1.00 1.79 N ATOM 1684 CA LYS A 106 13.269 25.957 -53.665 1.00 2.10 C ATOM 1685 C LYS A 106 12.617 26.303 -52.332 1.00 2.28 C ATOM 1686 O LYS A 106 12.916 27.332 -51.728 1.00 2.61 O ATOM 1687 CB LYS A 106 12.340 26.363 -54.815 1.00 2.43 C ATOM 1688 CG LYS A 106 11.133 25.456 -55.023 1.00 2.59 C ATOM 1689 CD LYS A 106 11.407 24.388 -56.068 1.00 2.88 C ATOM 1690 CE LYS A 106 10.157 23.578 -56.382 1.00 3.39 C ATOM 1691 NZ LYS A 106 10.368 22.665 -57.536 1.00 4.02 N ATOM 0 H LYS A 106 12.803 23.915 -53.725 1.00 1.79 H new ATOM 0 HA LYS A 106 14.200 26.515 -53.764 1.00 2.10 H new ATOM 0 HB2 LYS A 106 11.985 27.378 -54.634 1.00 2.43 H new ATOM 0 HB3 LYS A 106 12.919 26.388 -55.738 1.00 2.43 H new ATOM 0 HG2 LYS A 106 10.867 24.981 -54.078 1.00 2.59 H new ATOM 0 HG3 LYS A 106 10.276 26.055 -55.331 1.00 2.59 H new ATOM 0 HD2 LYS A 106 11.776 24.857 -56.980 1.00 2.88 H new ATOM 0 HD3 LYS A 106 12.193 23.722 -55.711 1.00 2.88 H new ATOM 0 HE2 LYS A 106 9.871 22.996 -55.506 1.00 3.39 H new ATOM 0 HE3 LYS A 106 9.330 24.254 -56.600 1.00 3.39 H new ATOM 0 HZ1 LYS A 106 9.451 22.297 -57.860 1.00 4.02 H new ATOM 0 HZ2 LYS A 106 10.825 23.186 -58.312 1.00 4.02 H new ATOM 0 HZ3 LYS A 106 10.976 21.873 -57.245 1.00 4.02 H new ATOM 1705 N GLY A 107 11.723 25.439 -51.886 1.00 2.51 N ATOM 1706 CA GLY A 107 11.034 25.660 -50.630 1.00 2.97 C ATOM 1707 C GLY A 107 9.588 26.050 -50.848 1.00 3.39 C ATOM 1708 O GLY A 107 9.052 26.903 -50.143 1.00 3.92 O ATOM 0 H GLY A 107 11.459 24.582 -52.373 1.00 2.51 H new ATOM 0 HA2 GLY A 107 11.080 24.754 -50.025 1.00 2.97 H new ATOM 0 HA3 GLY A 107 11.542 26.444 -50.069 1.00 2.97 H new ATOM 1712 N SER A 108 8.963 25.425 -51.834 1.00 3.41 N ATOM 1713 CA SER A 108 7.583 25.713 -52.179 1.00 4.00 C ATOM 1714 C SER A 108 6.663 24.647 -51.593 1.00 4.47 C ATOM 1715 O SER A 108 5.908 24.956 -50.647 1.00 4.98 O ATOM 1716 CB SER A 108 7.436 25.775 -53.699 1.00 4.21 C ATOM 1717 OG SER A 108 7.938 24.591 -54.297 1.00 4.39 O ATOM 1718 OXT SER A 108 6.736 23.487 -52.054 1.00 4.69 O ATOM 0 H SER A 108 9.397 24.707 -52.414 1.00 3.41 H new ATOM 0 HA SER A 108 7.300 26.678 -51.759 1.00 4.00 H new ATOM 0 HB2 SER A 108 6.387 25.906 -53.963 1.00 4.21 H new ATOM 0 HB3 SER A 108 7.973 26.641 -54.087 1.00 4.21 H new ATOM 0 HG SER A 108 7.703 23.819 -53.741 1.00 4.39 H new TER 1724 SER A 108