USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 789 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 67 TYR OH : rot -134:sc= 1.46 USER MOD Set 1.2: A 78 THR OG1 : rot 162:sc= 0.0251 USER MOD Set 2.1: A 58 THR OG1 : rot -150:sc= 0.934 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -120:sc= 1.08 (180deg=0) USER MOD Set 3.1: A 40 THR OG1 : rot -44:sc= 1.36 USER MOD Set 3.2: A 48 TYR OH : rot 30:sc= 1.41 USER MOD Single : A 1 GLY N :NH3+ -164:sc= 2.38 (180deg=1.62) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= -0.0424 (180deg=-1!) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0144) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0024 (180deg=-0.376) USER MOD Single : A 14 CYS SG : rot -160:sc= -1.09 USER MOD Single : A 16 GLN : amide:sc= 1.12 K(o=1.1,f=-1.1) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0176 USER MOD Single : A 18 HIS : no HE2:sc= 0.21 K(o=0.21,f=-4.2!) USER MOD Single : A 19 THR OG1 : rot 50:sc= 0.0506 USER MOD Single : A 28 THR OG1 : rot 29:sc= 0.359 USER MOD Single : A 31 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.42) USER MOD Single : A 33 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-6.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 47 THR OG1 : rot -46:sc= 0.921 USER MOD Single : A 49 THR OG1 : rot 153:sc= 1.14 USER MOD Single : A 52 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.17) USER MOD Single : A 54 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.49) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 0.795 (180deg=0.686) USER MOD Single : A 63 THR OG1 : rot 70:sc= 0.216 USER MOD Single : A 65 MET CE :methyl -131:sc= 0 (180deg=-0.0502) USER MOD Single : A 70 ASN : amide:sc= -0.645 K(o=-0.64,f=-1.6) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 1.15 (180deg=0.661) USER MOD Single : A 74 TYR OH : rot -5:sc= -0.0768 USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= -0.0814 (180deg=-1.21) USER MOD Single : A 80 MET CE :methyl -179:sc= -0.242 (180deg=-0.245) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0846 USER MOD Single : A 97 TYR OH : rot 172:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 152:sc= 1 (180deg=0.00729) USER MOD Single : A 102 THR OG1 : rot 106:sc= 0.266 USER MOD Single : A 103 ASN : amide:sc= -0.0562 K(o=-0.056,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.049 8.922 6.486 1.00 0.00 N ATOM 2 CA GLY A 1 -10.897 9.649 5.223 1.00 0.00 C ATOM 3 C GLY A 1 -10.936 11.136 5.509 1.00 0.00 C ATOM 4 O GLY A 1 -12.013 11.720 5.582 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.758 7.932 6.354 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.453 9.364 7.215 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.044 8.953 6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.955 9.381 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.695 9.376 4.532 1.00 0.00 H new ATOM 10 N ASP A 2 -9.756 11.689 5.760 1.00 0.00 N ATOM 11 CA ASP A 2 -9.548 13.013 6.322 1.00 0.00 C ATOM 12 C ASP A 2 -8.374 13.681 5.602 1.00 0.00 C ATOM 13 O ASP A 2 -8.493 14.831 5.195 1.00 0.00 O ATOM 14 CB ASP A 2 -9.283 12.836 7.816 1.00 0.00 C ATOM 15 CG ASP A 2 -8.772 14.088 8.487 1.00 0.00 C ATOM 16 OD1 ASP A 2 -9.494 15.102 8.468 1.00 0.00 O ATOM 17 OD2 ASP A 2 -7.660 13.981 9.040 1.00 0.00 O ATOM 0 H ASP A 2 -8.880 11.203 5.568 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.418 13.657 6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.204 12.520 8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.557 12.035 7.956 1.00 0.00 H new ATOM 22 N VAL A 3 -7.270 12.939 5.415 1.00 0.00 N ATOM 23 CA VAL A 3 -6.043 13.280 4.690 1.00 0.00 C ATOM 24 C VAL A 3 -4.949 13.689 5.670 1.00 0.00 C ATOM 25 O VAL A 3 -3.778 13.351 5.486 1.00 0.00 O ATOM 26 CB VAL A 3 -6.249 14.272 3.518 1.00 0.00 C ATOM 27 CG1 VAL A 3 -5.976 15.746 3.871 1.00 0.00 C ATOM 28 CG2 VAL A 3 -5.337 13.921 2.335 1.00 0.00 C ATOM 0 H VAL A 3 -7.213 11.998 5.805 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.705 12.377 4.181 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.305 14.169 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.145 16.368 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.647 16.059 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.943 15.856 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.501 14.632 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.295 13.967 2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.566 12.914 1.985 1.00 0.00 H new ATOM 38 N GLU A 4 -5.336 14.379 6.741 1.00 0.00 N ATOM 39 CA GLU A 4 -4.429 14.684 7.825 1.00 0.00 C ATOM 40 C GLU A 4 -4.167 13.419 8.626 1.00 0.00 C ATOM 41 O GLU A 4 -3.006 13.037 8.797 1.00 0.00 O ATOM 42 CB GLU A 4 -4.995 15.802 8.700 1.00 0.00 C ATOM 43 CG GLU A 4 -4.767 17.185 8.077 1.00 0.00 C ATOM 44 CD GLU A 4 -3.402 17.748 8.454 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.397 17.193 7.954 1.00 0.00 O ATOM 46 OE2 GLU A 4 -3.372 18.683 9.277 1.00 0.00 O ATOM 0 H GLU A 4 -6.282 14.736 6.874 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.481 15.042 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.063 15.642 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.528 15.765 9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.846 17.114 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.548 17.868 8.409 1.00 0.00 H new ATOM 53 N LYS A 5 -5.246 12.782 9.093 1.00 0.00 N ATOM 54 CA LYS A 5 -5.184 11.543 9.845 1.00 0.00 C ATOM 55 C LYS A 5 -4.504 10.475 9.010 1.00 0.00 C ATOM 56 O LYS A 5 -3.607 9.825 9.531 1.00 0.00 O ATOM 57 CB LYS A 5 -6.573 11.087 10.304 1.00 0.00 C ATOM 58 CG LYS A 5 -7.091 11.987 11.432 1.00 0.00 C ATOM 59 CD LYS A 5 -8.604 11.797 11.612 1.00 0.00 C ATOM 60 CE LYS A 5 -9.205 12.874 12.525 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.690 12.801 13.907 1.00 0.00 N ATOM 0 H LYS A 5 -6.196 13.125 8.952 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.597 11.716 10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.266 11.113 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.527 10.054 10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.574 11.750 12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.873 13.030 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.094 11.830 10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.800 10.811 12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.986 13.859 12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.290 12.768 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.128 13.550 14.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.921 11.873 14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.658 12.929 13.900 1.00 0.00 H new ATOM 75 N GLY A 6 -4.894 10.296 7.741 1.00 0.00 N ATOM 76 CA GLY A 6 -4.376 9.210 6.908 1.00 0.00 C ATOM 77 C GLY A 6 -2.870 9.016 7.069 1.00 0.00 C ATOM 78 O GLY A 6 -2.423 7.919 7.398 1.00 0.00 O ATOM 0 H GLY A 6 -5.571 10.895 7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.888 8.283 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.602 9.419 5.862 1.00 0.00 H new ATOM 82 N LYS A 7 -2.078 10.079 6.903 1.00 0.00 N ATOM 83 CA LYS A 7 -0.626 9.949 6.970 1.00 0.00 C ATOM 84 C LYS A 7 -0.115 9.615 8.374 1.00 0.00 C ATOM 85 O LYS A 7 0.881 8.907 8.533 1.00 0.00 O ATOM 86 CB LYS A 7 0.059 11.133 6.285 1.00 0.00 C ATOM 87 CG LYS A 7 0.079 12.361 7.169 1.00 0.00 C ATOM 88 CD LYS A 7 0.482 13.595 6.348 1.00 0.00 C ATOM 89 CE LYS A 7 0.359 14.889 7.160 1.00 0.00 C ATOM 90 NZ LYS A 7 -1.035 15.122 7.577 1.00 0.00 N ATOM 0 H LYS A 7 -2.415 11.025 6.724 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.335 9.071 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.080 10.859 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.459 11.364 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.904 12.515 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.781 12.216 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.509 13.480 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.148 13.662 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.001 14.833 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.709 15.731 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.239 16.142 7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.679 14.625 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.173 14.764 8.544 1.00 0.00 H new ATOM 104 N LYS A 8 -0.815 10.099 9.399 1.00 0.00 N ATOM 105 CA LYS A 8 -0.469 9.829 10.784 1.00 0.00 C ATOM 106 C LYS A 8 -0.731 8.356 11.094 1.00 0.00 C ATOM 107 O LYS A 8 0.140 7.659 11.613 1.00 0.00 O ATOM 108 CB LYS A 8 -1.299 10.740 11.712 1.00 0.00 C ATOM 109 CG LYS A 8 -0.498 11.830 12.441 1.00 0.00 C ATOM 110 CD LYS A 8 0.081 11.369 13.792 1.00 0.00 C ATOM 111 CE LYS A 8 1.379 10.549 13.714 1.00 0.00 C ATOM 112 NZ LYS A 8 2.532 11.359 13.269 1.00 0.00 N ATOM 0 H LYS A 8 -1.639 10.690 9.287 1.00 0.00 H new ATOM 0 HA LYS A 8 0.588 10.038 10.950 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.081 11.219 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.797 10.118 12.456 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.318 12.160 11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.142 12.693 12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.265 12.250 14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.673 10.773 14.306 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.595 10.122 14.693 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.238 9.715 13.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.398 10.784 13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.377 11.676 12.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.634 12.188 13.889 1.00 0.00 H new ATOM 126 N ILE A 9 -1.944 7.895 10.789 1.00 0.00 N ATOM 127 CA ILE A 9 -2.430 6.575 11.126 1.00 0.00 C ATOM 128 C ILE A 9 -1.641 5.560 10.305 1.00 0.00 C ATOM 129 O ILE A 9 -1.218 4.531 10.831 1.00 0.00 O ATOM 130 CB ILE A 9 -3.945 6.554 10.864 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.719 7.414 11.884 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.510 5.137 10.839 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.838 6.790 13.281 1.00 0.00 C ATOM 0 H ILE A 9 -2.631 8.455 10.284 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.283 6.315 12.174 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.082 6.988 9.874 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.226 8.382 11.973 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.721 7.601 11.497 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.583 5.176 10.651 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.024 4.565 10.049 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.328 4.656 11.800 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.396 7.462 13.933 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.360 5.836 13.210 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.842 6.629 13.694 1.00 0.00 H new ATOM 145 N PHE A 10 -1.388 5.892 9.037 1.00 0.00 N ATOM 146 CA PHE A 10 -0.438 5.184 8.204 1.00 0.00 C ATOM 147 C PHE A 10 0.853 4.947 8.969 1.00 0.00 C ATOM 148 O PHE A 10 1.155 3.816 9.325 1.00 0.00 O ATOM 149 CB PHE A 10 -0.184 5.978 6.915 1.00 0.00 C ATOM 150 CG PHE A 10 0.930 5.429 6.054 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.704 4.312 5.247 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.246 5.855 6.270 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.788 3.598 4.717 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.329 5.088 5.846 1.00 0.00 C ATOM 155 CZ PHE A 10 3.099 3.949 5.065 1.00 0.00 C ATOM 0 H PHE A 10 -1.847 6.670 8.563 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.849 4.212 7.931 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.103 6.000 6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.051 7.009 7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.306 3.998 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.425 6.794 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.612 2.776 4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.336 5.369 6.117 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.929 3.343 4.732 1.00 0.00 H new ATOM 165 N VAL A 11 1.613 6.001 9.258 1.00 0.00 N ATOM 166 CA VAL A 11 2.887 5.843 9.919 1.00 0.00 C ATOM 167 C VAL A 11 2.719 5.068 11.235 1.00 0.00 C ATOM 168 O VAL A 11 3.581 4.271 11.595 1.00 0.00 O ATOM 169 CB VAL A 11 3.564 7.218 10.070 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.658 7.186 11.132 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.169 7.746 8.761 1.00 0.00 C ATOM 0 H VAL A 11 1.362 6.966 9.042 1.00 0.00 H new ATOM 0 HA VAL A 11 3.560 5.236 9.313 1.00 0.00 H new ATOM 0 HB VAL A 11 2.765 7.896 10.372 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.115 8.172 11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.225 6.907 12.092 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.417 6.456 10.851 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.629 8.718 8.939 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.924 7.047 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.383 7.848 8.012 1.00 0.00 H new ATOM 181 N GLN A 12 1.602 5.265 11.941 1.00 0.00 N ATOM 182 CA GLN A 12 1.329 4.551 13.176 1.00 0.00 C ATOM 183 C GLN A 12 1.366 3.024 13.000 1.00 0.00 C ATOM 184 O GLN A 12 1.812 2.347 13.924 1.00 0.00 O ATOM 185 CB GLN A 12 -0.001 5.019 13.785 1.00 0.00 C ATOM 186 CG GLN A 12 -0.023 4.825 15.304 1.00 0.00 C ATOM 187 CD GLN A 12 -1.407 5.118 15.875 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.977 6.177 15.636 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.975 4.176 16.624 1.00 0.00 N ATOM 0 H GLN A 12 0.870 5.921 11.669 1.00 0.00 H new ATOM 0 HA GLN A 12 2.131 4.792 13.873 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.160 6.071 13.549 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.824 4.464 13.334 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.265 3.802 15.547 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.712 5.482 15.768 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.480 3.303 16.808 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.905 4.327 17.014 1.00 0.00 H new ATOM 198 N LYS A 13 0.865 2.472 11.881 1.00 0.00 N ATOM 199 CA LYS A 13 0.734 1.012 11.740 1.00 0.00 C ATOM 200 C LYS A 13 1.322 0.378 10.474 1.00 0.00 C ATOM 201 O LYS A 13 1.415 -0.847 10.404 1.00 0.00 O ATOM 202 CB LYS A 13 -0.722 0.609 11.921 1.00 0.00 C ATOM 203 CG LYS A 13 -1.591 1.168 10.801 1.00 0.00 C ATOM 204 CD LYS A 13 -2.752 1.943 11.411 1.00 0.00 C ATOM 205 CE LYS A 13 -3.775 1.031 12.112 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.695 1.114 13.580 1.00 0.00 N ATOM 0 H LYS A 13 0.548 3.006 11.072 1.00 0.00 H new ATOM 0 HA LYS A 13 1.362 0.606 12.533 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.802 -0.478 11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.086 0.971 12.883 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.001 1.820 10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.967 0.358 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.363 2.665 12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.255 2.511 10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.780 1.304 11.791 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.610 -0.000 11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.596 0.802 13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.927 0.502 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.506 2.097 13.862 1.00 0.00 H new ATOM 220 N CYS A 14 1.685 1.173 9.471 1.00 0.00 N ATOM 221 CA CYS A 14 2.083 0.708 8.148 1.00 0.00 C ATOM 222 C CYS A 14 3.593 0.920 8.000 1.00 0.00 C ATOM 223 O CYS A 14 4.297 0.048 7.503 1.00 0.00 O ATOM 224 CB CYS A 14 1.371 1.467 7.050 1.00 0.00 C ATOM 225 SG CYS A 14 -0.446 1.651 7.104 1.00 0.00 S ATOM 0 H CYS A 14 1.711 2.189 9.560 1.00 0.00 H new ATOM 0 HA CYS A 14 1.817 -0.345 8.054 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.798 2.469 7.018 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.621 0.983 6.106 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.888 1.941 5.916 1.00 0.00 H new ATOM 230 N ALA A 15 4.104 2.079 8.439 1.00 0.00 N ATOM 231 CA ALA A 15 5.512 2.465 8.318 1.00 0.00 C ATOM 232 C ALA A 15 6.491 1.428 8.849 1.00 0.00 C ATOM 233 O ALA A 15 7.577 1.294 8.295 1.00 0.00 O ATOM 234 CB ALA A 15 5.770 3.791 9.006 1.00 0.00 C ATOM 0 H ALA A 15 3.534 2.789 8.899 1.00 0.00 H new ATOM 0 HA ALA A 15 5.691 2.550 7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.822 4.056 8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.154 4.565 8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.519 3.707 10.063 1.00 0.00 H new ATOM 240 N GLN A 16 6.123 0.701 9.908 1.00 0.00 N ATOM 241 CA GLN A 16 6.917 -0.409 10.409 1.00 0.00 C ATOM 242 C GLN A 16 7.384 -1.330 9.273 1.00 0.00 C ATOM 243 O GLN A 16 8.503 -1.836 9.315 1.00 0.00 O ATOM 244 CB GLN A 16 6.127 -1.164 11.487 1.00 0.00 C ATOM 245 CG GLN A 16 4.727 -1.630 11.050 1.00 0.00 C ATOM 246 CD GLN A 16 4.072 -2.549 12.081 1.00 0.00 C ATOM 247 OE1 GLN A 16 4.738 -3.128 12.932 1.00 0.00 O ATOM 248 NE2 GLN A 16 2.753 -2.694 12.018 1.00 0.00 N ATOM 0 H GLN A 16 5.267 0.870 10.437 1.00 0.00 H new ATOM 0 HA GLN A 16 7.824 -0.015 10.867 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.704 -2.035 11.798 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.025 -0.520 12.361 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.091 -0.760 10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.802 -2.153 10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.220 -2.202 11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.274 -3.297 12.687 1.00 0.00 H new ATOM 257 N CYS A 17 6.524 -1.521 8.268 1.00 0.00 N ATOM 258 CA CYS A 17 6.771 -2.318 7.083 1.00 0.00 C ATOM 259 C CYS A 17 7.027 -1.443 5.841 1.00 0.00 C ATOM 260 O CYS A 17 7.623 -1.922 4.883 1.00 0.00 O ATOM 261 CB CYS A 17 5.600 -3.237 6.851 1.00 0.00 C ATOM 262 SG CYS A 17 5.308 -4.371 8.247 1.00 0.00 S ATOM 0 H CYS A 17 5.595 -1.100 8.268 1.00 0.00 H new ATOM 0 HA CYS A 17 7.674 -2.905 7.248 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.704 -2.641 6.679 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.774 -3.819 5.946 1.00 0.00 H new ATOM 0 HG CYS A 17 4.287 -5.131 7.983 1.00 0.00 H new ATOM 267 N HIS A 18 6.559 -0.184 5.816 1.00 0.00 N ATOM 268 CA HIS A 18 6.574 0.665 4.624 1.00 0.00 C ATOM 269 C HIS A 18 7.072 2.069 4.938 1.00 0.00 C ATOM 270 O HIS A 18 6.264 2.988 5.061 1.00 0.00 O ATOM 271 CB HIS A 18 5.149 0.801 4.082 1.00 0.00 C ATOM 272 CG HIS A 18 4.603 -0.451 3.488 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.849 -0.891 2.214 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.554 -1.160 3.998 1.00 0.00 C ATOM 275 CE1 HIS A 18 3.974 -1.873 1.969 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.180 -2.095 3.024 1.00 0.00 N ATOM 0 H HIS A 18 6.156 0.273 6.634 1.00 0.00 H new ATOM 0 HA HIS A 18 7.241 0.197 3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.493 1.123 4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.132 1.586 3.326 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.562 -0.538 1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.099 -1.026 4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.916 -2.418 1.038 1.00 0.00 H new ATOM 284 N THR A 19 8.377 2.302 5.007 1.00 0.00 N ATOM 285 CA THR A 19 8.859 3.650 5.257 1.00 0.00 C ATOM 286 C THR A 19 8.815 4.493 3.969 1.00 0.00 C ATOM 287 O THR A 19 9.846 4.792 3.370 1.00 0.00 O ATOM 288 CB THR A 19 10.225 3.582 5.943 1.00 0.00 C ATOM 289 OG1 THR A 19 11.155 2.834 5.181 1.00 0.00 O ATOM 290 CG2 THR A 19 10.114 2.919 7.319 1.00 0.00 C ATOM 0 H THR A 19 9.103 1.594 4.896 1.00 0.00 H new ATOM 0 HA THR A 19 8.201 4.175 5.949 1.00 0.00 H new ATOM 0 HB THR A 19 10.571 4.611 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.150 3.152 4.254 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.098 2.883 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.435 3.496 7.947 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.729 1.906 7.205 1.00 0.00 H new ATOM 298 N VAL A 20 7.602 4.876 3.545 1.00 0.00 N ATOM 299 CA VAL A 20 7.334 5.782 2.436 1.00 0.00 C ATOM 300 C VAL A 20 8.237 7.015 2.515 1.00 0.00 C ATOM 301 O VAL A 20 8.059 7.864 3.382 1.00 0.00 O ATOM 302 CB VAL A 20 5.834 6.160 2.387 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.970 4.906 2.245 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.311 6.936 3.605 1.00 0.00 C ATOM 0 H VAL A 20 6.747 4.543 3.991 1.00 0.00 H new ATOM 0 HA VAL A 20 7.567 5.270 1.502 1.00 0.00 H new ATOM 0 HB VAL A 20 5.759 6.820 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.918 5.191 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.234 4.385 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.141 4.248 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.251 7.152 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.449 6.337 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.862 7.871 3.704 1.00 0.00 H new ATOM 426 N THR A 28 10.088 -5.690 4.769 1.00 0.00 N ATOM 427 CA THR A 28 8.860 -6.466 4.943 1.00 0.00 C ATOM 428 C THR A 28 7.638 -5.748 4.359 1.00 0.00 C ATOM 429 O THR A 28 6.511 -6.111 4.663 1.00 0.00 O ATOM 430 CB THR A 28 8.697 -6.891 6.421 1.00 0.00 C ATOM 431 OG1 THR A 28 9.947 -7.379 6.876 1.00 0.00 O ATOM 432 CG2 THR A 28 7.669 -8.011 6.642 1.00 0.00 C ATOM 0 HA THR A 28 8.940 -7.386 4.364 1.00 0.00 H new ATOM 0 HB THR A 28 8.346 -6.012 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.670 -6.932 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.615 -8.250 7.704 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.690 -7.681 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.972 -8.898 6.085 1.00 0.00 H new ATOM 440 N GLY A 29 7.859 -4.797 3.454 1.00 0.00 N ATOM 441 CA GLY A 29 6.850 -4.066 2.723 1.00 0.00 C ATOM 442 C GLY A 29 7.654 -3.114 1.844 1.00 0.00 C ATOM 443 O GLY A 29 8.689 -2.621 2.287 1.00 0.00 O ATOM 0 H GLY A 29 8.804 -4.506 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.228 -4.732 2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.184 -3.524 3.394 1.00 0.00 H new ATOM 447 N PRO A 30 7.322 -2.931 0.565 1.00 0.00 N ATOM 448 CA PRO A 30 8.097 -2.044 -0.285 1.00 0.00 C ATOM 449 C PRO A 30 7.701 -0.587 -0.011 1.00 0.00 C ATOM 450 O PRO A 30 6.515 -0.286 0.104 1.00 0.00 O ATOM 451 CB PRO A 30 7.785 -2.490 -1.715 1.00 0.00 C ATOM 452 CG PRO A 30 6.372 -3.053 -1.592 1.00 0.00 C ATOM 453 CD PRO A 30 6.328 -3.666 -0.198 1.00 0.00 C ATOM 0 HA PRO A 30 9.170 -2.095 -0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.829 -1.657 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.491 -3.242 -2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.621 -2.271 -1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.174 -3.800 -2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.337 -3.568 0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.560 -4.731 -0.227 1.00 0.00 H new ATOM 461 N ASN A 31 8.679 0.322 0.090 1.00 0.00 N ATOM 462 CA ASN A 31 8.463 1.771 0.048 1.00 0.00 C ATOM 463 C ASN A 31 7.428 2.115 -1.032 1.00 0.00 C ATOM 464 O ASN A 31 7.711 1.954 -2.223 1.00 0.00 O ATOM 465 CB ASN A 31 9.818 2.467 -0.213 1.00 0.00 C ATOM 466 CG ASN A 31 9.743 3.939 -0.642 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.241 4.839 0.029 1.00 0.00 O ATOM 468 ND2 ASN A 31 9.204 4.219 -1.822 1.00 0.00 N ATOM 0 H ASN A 31 9.659 0.065 0.205 1.00 0.00 H new ATOM 0 HA ASN A 31 8.068 2.126 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.418 2.403 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.348 1.910 -0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.205 5.178 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.789 3.475 -2.383 1.00 0.00 H new ATOM 475 N LEU A 32 6.257 2.622 -0.633 1.00 0.00 N ATOM 476 CA LEU A 32 5.157 2.949 -1.534 1.00 0.00 C ATOM 477 C LEU A 32 5.499 4.201 -2.358 1.00 0.00 C ATOM 478 O LEU A 32 4.995 5.292 -2.103 1.00 0.00 O ATOM 479 CB LEU A 32 3.843 3.130 -0.750 1.00 0.00 C ATOM 480 CG LEU A 32 3.528 2.023 0.274 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.260 2.373 1.060 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.308 0.681 -0.431 1.00 0.00 C ATOM 0 H LEU A 32 6.047 2.819 0.346 1.00 0.00 H new ATOM 0 HA LEU A 32 5.012 2.119 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.880 4.086 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.020 3.188 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 32 4.378 1.944 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.049 1.583 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.408 3.315 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.421 2.471 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.087 -0.087 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.472 0.767 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.209 0.407 -0.980 1.00 0.00 H new ATOM 494 N HIS A 33 6.385 4.039 -3.341 1.00 0.00 N ATOM 495 CA HIS A 33 6.970 5.117 -4.129 1.00 0.00 C ATOM 496 C HIS A 33 5.915 5.997 -4.794 1.00 0.00 C ATOM 497 O HIS A 33 5.978 7.221 -4.714 1.00 0.00 O ATOM 498 CB HIS A 33 7.895 4.486 -5.180 1.00 0.00 C ATOM 499 CG HIS A 33 8.480 5.430 -6.204 1.00 0.00 C ATOM 500 ND1 HIS A 33 7.771 6.209 -7.098 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.781 5.409 -6.629 1.00 0.00 C ATOM 502 CE1 HIS A 33 8.629 6.649 -8.030 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.848 6.122 -7.831 1.00 0.00 N ATOM 0 H HIS A 33 6.726 3.118 -3.618 1.00 0.00 H new ATOM 0 HA HIS A 33 7.532 5.774 -3.465 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.716 3.991 -4.661 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.338 3.711 -5.707 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.607 4.928 -6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.375 7.331 -8.828 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.662 6.222 -8.437 1.00 0.00 H new ATOM 511 N GLY A 34 5.040 5.370 -5.577 1.00 0.00 N ATOM 512 CA GLY A 34 4.100 6.060 -6.447 1.00 0.00 C ATOM 513 C GLY A 34 2.723 5.436 -6.318 1.00 0.00 C ATOM 514 O GLY A 34 1.741 6.132 -6.089 1.00 0.00 O ATOM 0 H GLY A 34 4.966 4.354 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.056 7.117 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.439 6.003 -7.481 1.00 0.00 H new ATOM 518 N LEU A 35 2.655 4.109 -6.463 1.00 0.00 N ATOM 519 CA LEU A 35 1.425 3.351 -6.521 1.00 0.00 C ATOM 520 C LEU A 35 0.578 3.822 -7.708 1.00 0.00 C ATOM 521 O LEU A 35 0.642 3.226 -8.776 1.00 0.00 O ATOM 522 CB LEU A 35 0.689 3.430 -5.184 1.00 0.00 C ATOM 523 CG LEU A 35 1.367 2.669 -4.038 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.658 3.086 -2.747 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.278 1.148 -4.212 1.00 0.00 C ATOM 0 H LEU A 35 3.487 3.525 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 35 1.644 2.297 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.591 4.478 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.320 3.039 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 35 2.429 2.915 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.108 2.567 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.758 4.162 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.398 2.825 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.773 0.656 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.231 0.846 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.767 0.859 -5.143 1.00 0.00 H new ATOM 537 N PHE A 36 -0.159 4.915 -7.532 1.00 0.00 N ATOM 538 CA PHE A 36 -1.057 5.520 -8.503 1.00 0.00 C ATOM 539 C PHE A 36 -0.375 5.683 -9.859 1.00 0.00 C ATOM 540 O PHE A 36 0.400 6.616 -10.052 1.00 0.00 O ATOM 541 CB PHE A 36 -1.548 6.858 -7.935 1.00 0.00 C ATOM 542 CG PHE A 36 -2.357 6.683 -6.663 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.694 6.260 -6.760 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.733 6.725 -5.401 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.392 5.867 -5.608 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.441 6.338 -4.249 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.782 5.933 -4.349 1.00 0.00 C ATOM 0 H PHE A 36 -0.142 5.431 -6.653 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.915 4.871 -8.676 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.691 7.500 -7.732 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.157 7.366 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.184 6.237 -7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.708 7.055 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.408 5.511 -5.693 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.953 6.352 -3.286 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.339 5.674 -3.461 1.00 0.00 H new ATOM 557 N GLY A 37 -0.643 4.763 -10.793 1.00 0.00 N ATOM 558 CA GLY A 37 -0.050 4.802 -12.127 1.00 0.00 C ATOM 559 C GLY A 37 1.207 3.931 -12.245 1.00 0.00 C ATOM 560 O GLY A 37 1.536 3.460 -13.334 1.00 0.00 O ATOM 0 H GLY A 37 -1.274 3.976 -10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.787 4.468 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.203 5.832 -12.377 1.00 0.00 H new ATOM 564 N ARG A 38 1.921 3.713 -11.138 1.00 0.00 N ATOM 565 CA ARG A 38 3.146 2.936 -11.091 1.00 0.00 C ATOM 566 C ARG A 38 2.780 1.457 -11.243 1.00 0.00 C ATOM 567 O ARG A 38 2.486 0.771 -10.267 1.00 0.00 O ATOM 568 CB ARG A 38 3.869 3.232 -9.768 1.00 0.00 C ATOM 569 CG ARG A 38 5.320 2.732 -9.743 1.00 0.00 C ATOM 570 CD ARG A 38 6.252 3.573 -10.637 1.00 0.00 C ATOM 571 NE ARG A 38 7.511 3.935 -9.958 1.00 0.00 N ATOM 572 CZ ARG A 38 8.561 3.125 -9.743 1.00 0.00 C ATOM 573 NH1 ARG A 38 8.499 1.846 -10.130 1.00 0.00 N ATOM 574 NH2 ARG A 38 9.662 3.594 -9.141 1.00 0.00 N ATOM 0 H ARG A 38 1.649 4.086 -10.228 1.00 0.00 H new ATOM 0 HA ARG A 38 3.826 3.200 -11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.860 4.307 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.318 2.768 -8.950 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.690 2.753 -8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.348 1.693 -10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.480 3.015 -11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.734 4.482 -10.943 1.00 0.00 H new ATOM 0 HE ARG A 38 7.592 4.894 -9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.658 1.491 -10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.293 1.226 -9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.705 4.569 -8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.457 2.976 -8.979 1.00 0.00 H new ATOM 588 N LYS A 39 2.777 0.983 -12.488 1.00 0.00 N ATOM 589 CA LYS A 39 2.413 -0.382 -12.840 1.00 0.00 C ATOM 590 C LYS A 39 3.228 -1.390 -12.020 1.00 0.00 C ATOM 591 O LYS A 39 4.454 -1.411 -12.112 1.00 0.00 O ATOM 592 CB LYS A 39 2.576 -0.576 -14.354 1.00 0.00 C ATOM 593 CG LYS A 39 1.520 0.250 -15.114 1.00 0.00 C ATOM 594 CD LYS A 39 2.083 0.930 -16.372 1.00 0.00 C ATOM 595 CE LYS A 39 2.556 -0.042 -17.464 1.00 0.00 C ATOM 596 NZ LYS A 39 1.444 -0.804 -18.069 1.00 0.00 N ATOM 0 H LYS A 39 3.034 1.552 -13.295 1.00 0.00 H new ATOM 0 HA LYS A 39 1.367 -0.564 -12.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.576 -0.271 -14.661 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.473 -1.631 -14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.693 -0.401 -15.398 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.113 1.010 -14.448 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.317 1.582 -16.791 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.919 1.566 -16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.074 0.517 -18.243 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.278 -0.738 -17.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.818 -1.444 -18.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.964 -1.361 -17.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.766 -0.144 -18.502 1.00 0.00 H new ATOM 610 N THR A 40 2.544 -2.194 -11.198 1.00 0.00 N ATOM 611 CA THR A 40 3.180 -3.162 -10.319 1.00 0.00 C ATOM 612 C THR A 40 3.528 -4.431 -11.090 1.00 0.00 C ATOM 613 O THR A 40 3.293 -4.544 -12.292 1.00 0.00 O ATOM 614 CB THR A 40 2.297 -3.428 -9.086 1.00 0.00 C ATOM 615 OG1 THR A 40 3.076 -3.311 -7.919 1.00 0.00 O ATOM 616 CG2 THR A 40 1.506 -4.741 -9.023 1.00 0.00 C ATOM 0 H THR A 40 1.526 -2.185 -11.129 1.00 0.00 H new ATOM 0 HA THR A 40 4.120 -2.755 -9.947 1.00 0.00 H new ATOM 0 HB THR A 40 1.522 -2.667 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.930 -3.775 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.935 -4.778 -8.095 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.824 -4.796 -9.871 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.196 -5.584 -9.058 1.00 0.00 H new ATOM 624 N GLY A 41 4.066 -5.405 -10.364 1.00 0.00 N ATOM 625 CA GLY A 41 4.453 -6.692 -10.901 1.00 0.00 C ATOM 626 C GLY A 41 5.876 -6.607 -11.457 1.00 0.00 C ATOM 627 O GLY A 41 6.255 -7.407 -12.315 1.00 0.00 O ATOM 0 H GLY A 41 4.247 -5.313 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.400 -7.453 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.761 -6.992 -11.688 1.00 0.00 H new ATOM 631 N GLN A 42 6.671 -5.657 -10.949 1.00 0.00 N ATOM 632 CA GLN A 42 8.052 -5.400 -11.338 1.00 0.00 C ATOM 633 C GLN A 42 8.635 -4.333 -10.401 1.00 0.00 C ATOM 634 O GLN A 42 8.352 -3.148 -10.558 1.00 0.00 O ATOM 635 CB GLN A 42 8.141 -4.954 -12.815 1.00 0.00 C ATOM 636 CG GLN A 42 8.915 -5.964 -13.673 1.00 0.00 C ATOM 637 CD GLN A 42 9.078 -5.475 -15.111 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.117 -5.049 -15.741 1.00 0.00 O ATOM 639 NE2 GLN A 42 10.292 -5.531 -15.650 1.00 0.00 N ATOM 0 H GLN A 42 6.348 -5.020 -10.221 1.00 0.00 H new ATOM 0 HA GLN A 42 8.632 -6.318 -11.249 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.136 -4.831 -13.218 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.629 -3.981 -12.871 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.897 -6.137 -13.234 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.392 -6.920 -13.671 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.076 -5.890 -15.105 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.439 -5.215 -16.609 1.00 0.00 H new ATOM 648 N ALA A 43 9.449 -4.748 -9.428 1.00 0.00 N ATOM 649 CA ALA A 43 10.359 -3.873 -8.691 1.00 0.00 C ATOM 650 C ALA A 43 11.789 -4.177 -9.152 1.00 0.00 C ATOM 651 O ALA A 43 12.030 -5.269 -9.665 1.00 0.00 O ATOM 652 CB ALA A 43 10.221 -4.123 -7.186 1.00 0.00 C ATOM 0 H ALA A 43 9.494 -5.721 -9.126 1.00 0.00 H new ATOM 0 HA ALA A 43 10.119 -2.827 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.902 -3.467 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.196 -3.918 -6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.466 -5.162 -6.966 1.00 0.00 H new ATOM 658 N PRO A 44 12.752 -3.262 -8.955 1.00 0.00 N ATOM 659 CA PRO A 44 14.131 -3.467 -9.386 1.00 0.00 C ATOM 660 C PRO A 44 14.884 -4.533 -8.577 1.00 0.00 C ATOM 661 O PRO A 44 15.999 -4.888 -8.949 1.00 0.00 O ATOM 662 CB PRO A 44 14.799 -2.092 -9.274 1.00 0.00 C ATOM 663 CG PRO A 44 13.997 -1.400 -8.174 1.00 0.00 C ATOM 664 CD PRO A 44 12.582 -1.922 -8.415 1.00 0.00 C ATOM 0 HA PRO A 44 14.152 -3.857 -10.404 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.853 -2.177 -9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.749 -1.543 -10.214 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.362 -1.661 -7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.048 -0.314 -8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.007 -1.941 -7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.041 -1.283 -9.113 1.00 0.00 H new ATOM 672 N GLY A 45 14.310 -5.044 -7.482 1.00 0.00 N ATOM 673 CA GLY A 45 14.921 -6.114 -6.703 1.00 0.00 C ATOM 674 C GLY A 45 13.855 -6.902 -5.947 1.00 0.00 C ATOM 675 O GLY A 45 13.402 -7.948 -6.408 1.00 0.00 O ATOM 0 H GLY A 45 13.413 -4.726 -7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.475 -6.781 -7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.639 -5.694 -5.999 1.00 0.00 H new ATOM 679 N PHE A 46 13.431 -6.391 -4.788 1.00 0.00 N ATOM 680 CA PHE A 46 12.398 -7.022 -3.973 1.00 0.00 C ATOM 681 C PHE A 46 11.042 -6.826 -4.650 1.00 0.00 C ATOM 682 O PHE A 46 10.230 -5.998 -4.246 1.00 0.00 O ATOM 683 CB PHE A 46 12.433 -6.463 -2.542 1.00 0.00 C ATOM 684 CG PHE A 46 11.244 -6.826 -1.664 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.840 -8.168 -1.511 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.435 -5.797 -1.145 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.636 -8.470 -0.845 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.264 -6.109 -0.440 1.00 0.00 C ATOM 689 CZ PHE A 46 8.864 -7.442 -0.286 1.00 0.00 C ATOM 0 H PHE A 46 13.797 -5.526 -4.390 1.00 0.00 H new ATOM 0 HA PHE A 46 12.580 -8.094 -3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.342 -6.816 -2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.503 -5.377 -2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.454 -8.965 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.717 -4.765 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.307 -9.496 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.667 -5.317 -0.013 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.963 -7.677 0.262 1.00 0.00 H new ATOM 699 N THR A 47 10.791 -7.598 -5.703 1.00 0.00 N ATOM 700 CA THR A 47 9.572 -7.491 -6.485 1.00 0.00 C ATOM 701 C THR A 47 8.420 -8.293 -5.879 1.00 0.00 C ATOM 702 O THR A 47 7.583 -8.797 -6.628 1.00 0.00 O ATOM 703 CB THR A 47 9.879 -7.792 -7.956 1.00 0.00 C ATOM 704 OG1 THR A 47 8.788 -7.379 -8.758 1.00 0.00 O ATOM 705 CG2 THR A 47 10.251 -9.258 -8.186 1.00 0.00 C ATOM 0 H THR A 47 11.433 -8.317 -6.036 1.00 0.00 H new ATOM 0 HA THR A 47 9.203 -6.466 -6.453 1.00 0.00 H new ATOM 0 HB THR A 47 10.761 -7.223 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.950 -7.681 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.459 -9.419 -9.244 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.137 -9.505 -7.600 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.423 -9.896 -7.878 1.00 0.00 H new ATOM 713 N TYR A 48 8.342 -8.317 -4.541 1.00 0.00 N ATOM 714 CA TYR A 48 7.312 -8.966 -3.750 1.00 0.00 C ATOM 715 C TYR A 48 7.095 -10.442 -4.110 1.00 0.00 C ATOM 716 O TYR A 48 7.841 -11.034 -4.888 1.00 0.00 O ATOM 717 CB TYR A 48 6.036 -8.104 -3.682 1.00 0.00 C ATOM 718 CG TYR A 48 5.813 -7.109 -4.799 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.485 -5.879 -4.771 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.000 -7.434 -5.893 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.416 -5.017 -5.880 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.812 -6.510 -6.930 1.00 0.00 C ATOM 723 CZ TYR A 48 5.569 -5.332 -6.959 1.00 0.00 C ATOM 724 OH TYR A 48 5.591 -4.592 -8.108 1.00 0.00 O ATOM 0 H TYR A 48 9.040 -7.855 -3.958 1.00 0.00 H new ATOM 0 HA TYR A 48 7.675 -9.028 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.177 -8.774 -3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.048 -7.557 -2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.055 -5.594 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.517 -8.399 -5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.011 -4.116 -5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.085 -6.706 -7.705 1.00 0.00 H new ATOM 0 HH TYR A 48 6.490 -4.225 -8.244 1.00 0.00 H new ATOM 734 N THR A 49 6.118 -11.064 -3.453 1.00 0.00 N ATOM 735 CA THR A 49 5.780 -12.465 -3.671 1.00 0.00 C ATOM 736 C THR A 49 5.132 -12.646 -5.041 1.00 0.00 C ATOM 737 O THR A 49 4.357 -11.790 -5.448 1.00 0.00 O ATOM 738 CB THR A 49 4.778 -12.925 -2.607 1.00 0.00 C ATOM 739 OG1 THR A 49 3.700 -12.013 -2.536 1.00 0.00 O ATOM 740 CG2 THR A 49 5.410 -13.001 -1.221 1.00 0.00 C ATOM 0 H THR A 49 5.537 -10.606 -2.751 1.00 0.00 H new ATOM 0 HA THR A 49 6.697 -13.052 -3.613 1.00 0.00 H new ATOM 0 HB THR A 49 4.439 -13.918 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.897 -12.479 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.664 -13.331 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.238 -13.710 -1.237 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.781 -12.016 -0.936 1.00 0.00 H new ATOM 748 N ASP A 50 5.367 -13.786 -5.696 1.00 0.00 N ATOM 749 CA ASP A 50 4.752 -14.282 -6.931 1.00 0.00 C ATOM 750 C ASP A 50 3.304 -13.839 -7.078 1.00 0.00 C ATOM 751 O ASP A 50 2.915 -13.356 -8.133 1.00 0.00 O ATOM 752 CB ASP A 50 4.851 -15.814 -6.941 1.00 0.00 C ATOM 753 CG ASP A 50 6.286 -16.287 -6.747 1.00 0.00 C ATOM 754 OD1 ASP A 50 6.799 -16.022 -5.635 1.00 0.00 O ATOM 755 OD2 ASP A 50 6.840 -16.863 -7.706 1.00 0.00 O ATOM 0 H ASP A 50 6.058 -14.448 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 50 5.289 -13.859 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.223 -16.224 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.466 -16.197 -7.886 1.00 0.00 H new ATOM 760 N ALA A 51 2.490 -13.983 -6.036 1.00 0.00 N ATOM 761 CA ALA A 51 1.078 -13.647 -6.126 1.00 0.00 C ATOM 762 C ALA A 51 0.846 -12.170 -6.444 1.00 0.00 C ATOM 763 O ALA A 51 -0.081 -11.849 -7.188 1.00 0.00 O ATOM 764 CB ALA A 51 0.370 -14.069 -4.839 1.00 0.00 C ATOM 0 H ALA A 51 2.786 -14.329 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 51 0.650 -14.199 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.688 -13.817 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.479 -15.145 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.814 -13.547 -3.991 1.00 0.00 H new ATOM 770 N ASN A 52 1.670 -11.272 -5.896 1.00 0.00 N ATOM 771 CA ASN A 52 1.563 -9.846 -6.193 1.00 0.00 C ATOM 772 C ASN A 52 2.406 -9.495 -7.429 1.00 0.00 C ATOM 773 O ASN A 52 1.986 -8.732 -8.296 1.00 0.00 O ATOM 774 CB ASN A 52 1.901 -9.030 -4.939 1.00 0.00 C ATOM 775 CG ASN A 52 1.320 -7.616 -5.002 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.240 -7.003 -6.062 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.822 -7.127 -3.872 1.00 0.00 N ATOM 0 H ASN A 52 2.418 -11.510 -5.245 1.00 0.00 H new ATOM 0 HA ASN A 52 0.538 -9.583 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.514 -9.542 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.983 -8.973 -4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.358 -6.219 -3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.904 -7.660 -3.006 1.00 0.00 H new ATOM 784 N LYS A 53 3.571 -10.132 -7.576 1.00 0.00 N ATOM 785 CA LYS A 53 4.452 -10.010 -8.728 1.00 0.00 C ATOM 786 C LYS A 53 3.680 -10.321 -10.007 1.00 0.00 C ATOM 787 O LYS A 53 3.900 -9.703 -11.050 1.00 0.00 O ATOM 788 CB LYS A 53 5.625 -10.985 -8.573 1.00 0.00 C ATOM 789 CG LYS A 53 6.510 -11.145 -9.818 1.00 0.00 C ATOM 790 CD LYS A 53 7.189 -9.820 -10.173 1.00 0.00 C ATOM 791 CE LYS A 53 8.023 -9.895 -11.456 1.00 0.00 C ATOM 792 NZ LYS A 53 7.173 -9.884 -12.663 1.00 0.00 N ATOM 0 H LYS A 53 3.935 -10.769 -6.867 1.00 0.00 H new ATOM 0 HA LYS A 53 4.834 -8.991 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.248 -10.650 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.230 -11.963 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.266 -11.910 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.906 -11.486 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.428 -9.048 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.831 -9.515 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.714 -9.053 -11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.627 -10.802 -11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.708 -10.268 -13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.329 -10.469 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.882 -8.908 -12.874 1.00 0.00 H new ATOM 806 N ASN A 54 2.809 -11.324 -9.926 1.00 0.00 N ATOM 807 CA ASN A 54 2.026 -11.818 -11.038 1.00 0.00 C ATOM 808 C ASN A 54 0.828 -10.891 -11.327 1.00 0.00 C ATOM 809 O ASN A 54 0.117 -11.094 -12.305 1.00 0.00 O ATOM 810 CB ASN A 54 1.547 -13.246 -10.741 1.00 0.00 C ATOM 811 CG ASN A 54 0.869 -13.905 -11.939 1.00 0.00 C ATOM 812 OD1 ASN A 54 1.324 -13.777 -13.071 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.202 -14.658 -11.700 1.00 0.00 N ATOM 0 H ASN A 54 2.629 -11.825 -9.056 1.00 0.00 H new ATOM 0 HA ASN A 54 2.655 -11.832 -11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.398 -13.853 -10.432 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.851 -13.224 -9.903 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.664 -15.145 -12.468 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.560 -14.748 -10.749 1.00 0.00 H new ATOM 820 N LYS A 55 0.544 -9.915 -10.450 1.00 0.00 N ATOM 821 CA LYS A 55 -0.745 -9.222 -10.449 1.00 0.00 C ATOM 822 C LYS A 55 -0.849 -8.214 -11.601 1.00 0.00 C ATOM 823 O LYS A 55 -1.884 -8.142 -12.257 1.00 0.00 O ATOM 824 CB LYS A 55 -1.006 -8.583 -9.073 1.00 0.00 C ATOM 825 CG LYS A 55 -2.414 -7.974 -8.933 1.00 0.00 C ATOM 826 CD LYS A 55 -3.299 -8.606 -7.850 1.00 0.00 C ATOM 827 CE LYS A 55 -3.756 -10.031 -8.198 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.966 -10.436 -7.442 1.00 0.00 N ATOM 0 H LYS A 55 1.194 -9.591 -9.733 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.533 -9.955 -10.623 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.867 -9.338 -8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.263 -7.805 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.312 -6.910 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.925 -8.059 -9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.751 -8.627 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.176 -7.978 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.961 -10.093 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.948 -10.731 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.157 -11.445 -7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.811 -10.274 -6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.780 -9.873 -7.762 1.00 0.00 H new ATOM 842 N GLY A 56 0.204 -7.423 -11.837 1.00 0.00 N ATOM 843 CA GLY A 56 0.287 -6.526 -12.989 1.00 0.00 C ATOM 844 C GLY A 56 -0.869 -5.520 -13.072 1.00 0.00 C ATOM 845 O GLY A 56 -1.534 -5.410 -14.098 1.00 0.00 O ATOM 0 H GLY A 56 1.024 -7.389 -11.231 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.230 -5.980 -12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.305 -7.122 -13.902 1.00 0.00 H new ATOM 849 N ILE A 57 -1.085 -4.757 -11.997 1.00 0.00 N ATOM 850 CA ILE A 57 -2.087 -3.716 -11.871 1.00 0.00 C ATOM 851 C ILE A 57 -1.397 -2.358 -11.861 1.00 0.00 C ATOM 852 O ILE A 57 -0.184 -2.268 -12.008 1.00 0.00 O ATOM 853 CB ILE A 57 -2.880 -3.930 -10.572 1.00 0.00 C ATOM 854 CG1 ILE A 57 -1.940 -4.099 -9.364 1.00 0.00 C ATOM 855 CG2 ILE A 57 -3.820 -5.125 -10.775 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.681 -3.997 -8.033 1.00 0.00 C ATOM 0 H ILE A 57 -0.530 -4.862 -11.148 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.778 -3.754 -12.713 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.483 -3.050 -10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.442 -5.067 -9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.162 -3.337 -9.403 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.394 -5.295 -9.864 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.502 -4.916 -11.599 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.233 -6.014 -11.006 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.974 -4.123 -7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.157 -3.019 -7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.442 -4.776 -7.979 1.00 0.00 H new ATOM 868 N THR A 58 -2.185 -1.300 -11.682 1.00 0.00 N ATOM 869 CA THR A 58 -1.774 0.091 -11.814 1.00 0.00 C ATOM 870 C THR A 58 -1.736 0.808 -10.459 1.00 0.00 C ATOM 871 O THR A 58 -1.624 2.034 -10.435 1.00 0.00 O ATOM 872 CB THR A 58 -2.782 0.777 -12.756 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.537 -0.195 -13.473 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.057 1.705 -13.730 1.00 0.00 C ATOM 0 H THR A 58 -3.169 -1.396 -11.430 1.00 0.00 H new ATOM 0 HA THR A 58 -0.762 0.138 -12.217 1.00 0.00 H new ATOM 0 HB THR A 58 -3.466 1.372 -12.151 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.796 0.170 -14.345 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.784 2.181 -14.388 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.518 2.470 -13.171 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.352 1.127 -14.327 1.00 0.00 H new ATOM 882 N TRP A 59 -1.914 0.044 -9.369 1.00 0.00 N ATOM 883 CA TRP A 59 -2.183 0.522 -8.021 1.00 0.00 C ATOM 884 C TRP A 59 -2.983 1.821 -8.024 1.00 0.00 C ATOM 885 O TRP A 59 -2.542 2.840 -7.505 1.00 0.00 O ATOM 886 CB TRP A 59 -0.884 0.628 -7.228 1.00 0.00 C ATOM 887 CG TRP A 59 -0.326 -0.660 -6.740 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.923 -1.106 -6.982 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.949 -1.652 -5.870 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.093 -2.332 -6.387 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.038 -2.734 -5.707 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.188 -1.746 -5.196 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.365 -3.876 -4.964 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.487 -2.852 -4.380 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.594 -3.930 -4.284 1.00 0.00 C ATOM 0 H TRP A 59 -1.870 -0.974 -9.416 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.815 -0.209 -7.517 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.136 1.115 -7.853 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.054 1.279 -6.370 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.673 -0.581 -7.555 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.952 -2.879 -6.441 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.916 -0.957 -5.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.322 -4.708 -4.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.412 -2.872 -3.823 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.849 -4.796 -3.691 1.00 0.00 H new ATOM 906 N LYS A 60 -4.182 1.756 -8.602 1.00 0.00 N ATOM 907 CA LYS A 60 -5.076 2.898 -8.659 1.00 0.00 C ATOM 908 C LYS A 60 -5.995 2.883 -7.437 1.00 0.00 C ATOM 909 O LYS A 60 -6.027 1.897 -6.687 1.00 0.00 O ATOM 910 CB LYS A 60 -5.863 2.879 -9.977 1.00 0.00 C ATOM 911 CG LYS A 60 -6.655 1.581 -10.211 1.00 0.00 C ATOM 912 CD LYS A 60 -7.545 1.694 -11.455 1.00 0.00 C ATOM 913 CE LYS A 60 -6.793 1.658 -12.792 1.00 0.00 C ATOM 914 NZ LYS A 60 -6.298 0.307 -13.129 1.00 0.00 N ATOM 0 H LYS A 60 -4.554 0.913 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.505 3.826 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.554 3.722 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.169 3.024 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.964 0.746 -10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.271 1.365 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.270 0.880 -11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.109 2.625 -11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.453 2.007 -13.586 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.951 2.349 -12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.262 0.329 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.566 -0.359 -12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.717 -0.002 -14.029 1.00 0.00 H new ATOM 928 N GLU A 61 -6.802 3.937 -7.294 1.00 0.00 N ATOM 929 CA GLU A 61 -7.770 4.177 -6.214 1.00 0.00 C ATOM 930 C GLU A 61 -9.006 3.263 -6.297 1.00 0.00 C ATOM 931 O GLU A 61 -10.122 3.674 -5.991 1.00 0.00 O ATOM 932 CB GLU A 61 -8.162 5.671 -6.153 1.00 0.00 C ATOM 933 CG GLU A 61 -8.409 6.324 -7.522 1.00 0.00 C ATOM 934 CD GLU A 61 -7.130 6.908 -8.103 1.00 0.00 C ATOM 935 OE1 GLU A 61 -6.837 8.075 -7.770 1.00 0.00 O ATOM 936 OE2 GLU A 61 -6.441 6.139 -8.811 1.00 0.00 O ATOM 0 H GLU A 61 -6.798 4.698 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.274 3.916 -5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.064 5.772 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.372 6.220 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.817 5.584 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.156 7.111 -7.421 1.00 0.00 H new ATOM 943 N GLU A 62 -8.788 2.002 -6.660 1.00 0.00 N ATOM 944 CA GLU A 62 -9.779 0.944 -6.717 1.00 0.00 C ATOM 945 C GLU A 62 -9.089 -0.314 -6.194 1.00 0.00 C ATOM 946 O GLU A 62 -9.479 -0.909 -5.190 1.00 0.00 O ATOM 947 CB GLU A 62 -10.262 0.746 -8.165 1.00 0.00 C ATOM 948 CG GLU A 62 -10.545 2.060 -8.905 1.00 0.00 C ATOM 949 CD GLU A 62 -11.155 1.774 -10.273 1.00 0.00 C ATOM 950 OE1 GLU A 62 -12.277 1.228 -10.289 1.00 0.00 O ATOM 951 OE2 GLU A 62 -10.466 2.057 -11.277 1.00 0.00 O ATOM 0 H GLU A 62 -7.861 1.678 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.658 1.183 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.509 0.184 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.169 0.141 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.225 2.677 -8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.621 2.626 -9.022 1.00 0.00 H new ATOM 958 N THR A 63 -7.990 -0.666 -6.865 1.00 0.00 N ATOM 959 CA THR A 63 -7.173 -1.816 -6.561 1.00 0.00 C ATOM 960 C THR A 63 -6.566 -1.662 -5.169 1.00 0.00 C ATOM 961 O THR A 63 -6.576 -2.607 -4.379 1.00 0.00 O ATOM 962 CB THR A 63 -6.126 -1.961 -7.675 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.523 -0.710 -7.985 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.807 -2.447 -8.959 1.00 0.00 C ATOM 0 H THR A 63 -7.642 -0.131 -7.661 1.00 0.00 H new ATOM 0 HA THR A 63 -7.760 -2.734 -6.533 1.00 0.00 H new ATOM 0 HB THR A 63 -5.373 -2.665 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.951 -0.429 -7.240 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.063 -2.550 -9.749 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.279 -3.413 -8.777 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.564 -1.725 -9.265 1.00 0.00 H new ATOM 972 N LEU A 64 -6.082 -0.455 -4.846 1.00 0.00 N ATOM 973 CA LEU A 64 -5.633 -0.165 -3.500 1.00 0.00 C ATOM 974 C LEU A 64 -6.756 -0.391 -2.501 1.00 0.00 C ATOM 975 O LEU A 64 -6.513 -0.947 -1.439 1.00 0.00 O ATOM 976 CB LEU A 64 -5.149 1.285 -3.398 1.00 0.00 C ATOM 977 CG LEU A 64 -3.624 1.370 -3.262 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.044 2.039 -4.499 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.244 2.148 -2.006 1.00 0.00 C ATOM 0 H LEU A 64 -5.996 0.323 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.807 -0.838 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.466 1.837 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.618 1.765 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.214 0.364 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.960 2.101 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.299 1.454 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.457 3.043 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.158 2.199 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.651 3.157 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.651 1.644 -1.129 1.00 0.00 H new ATOM 991 N MET A 65 -7.969 0.071 -2.807 1.00 0.00 N ATOM 992 CA MET A 65 -9.040 0.017 -1.847 1.00 0.00 C ATOM 993 C MET A 65 -9.416 -1.440 -1.573 1.00 0.00 C ATOM 994 O MET A 65 -9.507 -1.821 -0.409 1.00 0.00 O ATOM 995 CB MET A 65 -10.199 0.911 -2.307 1.00 0.00 C ATOM 996 CG MET A 65 -11.145 1.117 -1.124 1.00 0.00 C ATOM 997 SD MET A 65 -12.359 2.460 -1.212 1.00 0.00 S ATOM 998 CE MET A 65 -11.271 3.902 -1.124 1.00 0.00 C ATOM 0 H MET A 65 -8.220 0.481 -3.707 1.00 0.00 H new ATOM 0 HA MET A 65 -8.726 0.423 -0.885 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.821 1.870 -2.662 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.728 0.448 -3.140 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.691 0.186 -0.970 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.535 1.279 -0.236 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.647 4.596 -0.373 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.265 3.583 -0.852 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.244 4.397 -2.095 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.593 -2.263 -2.617 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.905 -3.674 -2.401 1.00 0.00 C ATOM 1010 C GLU A 66 -8.784 -4.362 -1.612 1.00 0.00 C ATOM 1011 O GLU A 66 -9.056 -5.050 -0.630 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.215 -4.419 -3.711 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.058 -5.670 -3.392 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.175 -6.653 -4.547 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.891 -6.253 -5.694 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.536 -7.817 -4.252 1.00 0.00 O ATOM 0 H GLU A 66 -9.527 -1.981 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.817 -3.714 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.755 -3.766 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.289 -4.706 -4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.618 -6.182 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.058 -5.355 -3.095 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.521 -4.174 -2.023 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.384 -4.743 -1.312 1.00 0.00 C ATOM 1025 C TYR A 67 -6.429 -4.350 0.161 1.00 0.00 C ATOM 1026 O TYR A 67 -6.544 -5.213 1.014 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.090 -4.271 -1.974 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.823 -4.912 -1.436 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.684 -6.311 -1.399 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.759 -4.107 -1.003 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.514 -6.907 -0.909 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.593 -4.705 -0.504 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.469 -6.101 -0.444 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.372 -6.687 0.105 1.00 0.00 O ATOM 0 H TYR A 67 -7.269 -3.629 -2.848 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.426 -5.831 -1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.154 -4.470 -3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.012 -3.190 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.491 -6.935 -1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.838 -3.031 -1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.419 -7.983 -0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.780 -4.083 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.136 -6.225 0.936 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.356 -3.062 0.482 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.343 -2.619 1.871 1.00 0.00 C ATOM 1046 C LEU A 68 -7.548 -3.124 2.663 1.00 0.00 C ATOM 1047 O LEU A 68 -7.404 -3.453 3.839 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.235 -1.090 1.978 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.798 -0.562 2.104 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.053 -1.239 3.260 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.005 -0.719 0.806 1.00 0.00 C ATOM 0 H LEU A 68 -6.305 -2.307 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.452 -3.061 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.697 -0.643 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.808 -0.757 2.843 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.881 0.504 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.039 -0.843 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.577 -1.042 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.012 -2.314 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.996 -0.331 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.954 -1.774 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.499 -0.164 0.008 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.728 -3.178 2.044 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.913 -3.703 2.708 1.00 0.00 C ATOM 1065 C GLU A 69 -9.706 -5.186 3.049 1.00 0.00 C ATOM 1066 O GLU A 69 -10.047 -5.621 4.148 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.151 -3.439 1.832 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.486 -3.412 2.597 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.055 -4.790 2.912 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.007 -5.655 2.012 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.590 -4.923 4.034 1.00 0.00 O ATOM 0 H GLU A 69 -8.885 -2.864 1.086 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.083 -3.191 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.021 -2.485 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.205 -4.208 1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.346 -2.867 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.217 -2.855 2.010 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.135 -5.962 2.119 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.081 -7.417 2.226 1.00 0.00 C ATOM 1080 C ASN A 70 -7.851 -7.996 1.515 1.00 0.00 C ATOM 1081 O ASN A 70 -7.974 -8.681 0.500 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.371 -7.964 1.608 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.821 -9.271 2.243 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.015 -10.031 2.773 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.121 -9.544 2.185 1.00 0.00 N ATOM 0 H ASN A 70 -8.699 -5.594 1.273 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.995 -7.709 3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.162 -7.222 1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.220 -8.118 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.479 -10.409 2.589 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.760 -8.888 1.736 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.634 -7.759 2.015 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.437 -7.915 1.202 1.00 0.00 C ATOM 1094 C PRO A 71 -5.151 -9.382 0.919 1.00 0.00 C ATOM 1095 O PRO A 71 -4.784 -9.754 -0.192 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.314 -7.215 1.970 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.816 -7.188 3.413 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.342 -7.151 3.295 1.00 0.00 C ATOM 0 HA PRO A 71 -5.549 -7.464 0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.373 -7.758 1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.137 -6.209 1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.483 -8.067 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.439 -6.316 3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.814 -7.700 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.717 -6.128 3.341 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.380 -10.220 1.927 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.216 -11.659 1.841 1.00 0.00 C ATOM 1108 C LYS A 72 -6.242 -12.291 0.881 1.00 0.00 C ATOM 1109 O LYS A 72 -6.059 -13.432 0.468 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.293 -12.228 3.267 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.534 -13.553 3.413 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.641 -14.135 4.833 1.00 0.00 C ATOM 1113 CE LYS A 72 -4.057 -13.202 5.909 1.00 0.00 C ATOM 1114 NZ LYS A 72 -4.011 -13.843 7.240 1.00 0.00 N ATOM 0 H LYS A 72 -5.692 -9.905 2.846 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.244 -11.907 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.884 -11.500 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.338 -12.380 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.927 -14.275 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.484 -13.397 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.688 -14.333 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.121 -15.092 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.051 -12.900 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.658 -12.295 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.611 -13.178 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.974 -14.108 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.416 -14.695 7.195 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.317 -11.571 0.530 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.330 -12.027 -0.414 1.00 0.00 C ATOM 1130 C LYS A 73 -7.985 -11.512 -1.810 1.00 0.00 C ATOM 1131 O LYS A 73 -7.955 -12.295 -2.756 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.704 -11.558 0.075 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.893 -11.853 -0.852 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.233 -10.634 -1.727 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.577 -10.812 -2.446 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.008 -9.562 -3.108 1.00 0.00 N ATOM 0 H LYS A 73 -7.504 -10.641 0.904 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.357 -13.115 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.900 -12.022 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.659 -10.482 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.658 -12.706 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.762 -12.130 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.267 -9.738 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.443 -10.482 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.492 -11.607 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.336 -11.125 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.825 -9.758 -3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.276 -8.862 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.227 -9.186 -3.682 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.711 -10.209 -1.953 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.240 -9.654 -3.216 1.00 0.00 C ATOM 1152 C TYR A 74 -6.007 -10.409 -3.740 1.00 0.00 C ATOM 1153 O TYR A 74 -5.827 -10.571 -4.953 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.933 -8.171 -3.015 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.696 -7.393 -4.297 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.756 -7.235 -5.205 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.439 -6.833 -4.596 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.562 -6.535 -6.406 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.235 -6.158 -5.811 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.304 -5.993 -6.706 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.087 -5.408 -7.914 1.00 0.00 O ATOM 0 H TYR A 74 -7.810 -9.523 -1.205 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.019 -9.768 -3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.762 -7.712 -2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.051 -8.079 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.725 -7.654 -4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.628 -6.923 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.381 -6.414 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.258 -5.767 -6.056 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.878 -5.524 -8.480 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.133 -10.834 -2.822 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.906 -11.570 -3.100 1.00 0.00 C ATOM 1173 C ILE A 75 -3.742 -12.689 -2.061 1.00 0.00 C ATOM 1174 O ILE A 75 -3.149 -12.460 -1.005 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.704 -10.603 -3.098 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.937 -9.525 -4.166 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.388 -11.342 -3.389 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.806 -8.511 -4.254 1.00 0.00 C ATOM 0 H ILE A 75 -5.271 -10.665 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.956 -12.028 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.621 -10.151 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.061 -10.006 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.868 -9.002 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.562 -10.631 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.221 -12.102 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.447 -11.818 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.034 -7.778 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.696 -8.004 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.877 -9.023 -4.502 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.203 -13.918 -2.345 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.019 -15.056 -1.455 1.00 0.00 C ATOM 1192 C PRO A 76 -2.590 -15.599 -1.576 1.00 0.00 C ATOM 1193 O PRO A 76 -2.370 -16.747 -1.953 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.093 -16.057 -1.880 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.201 -15.817 -3.386 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.974 -14.309 -3.516 1.00 0.00 C ATOM 0 HA PRO A 76 -4.131 -14.808 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.802 -17.083 -1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.040 -15.874 -1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.454 -16.386 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.177 -16.112 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.436 -14.073 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.923 -13.773 -3.556 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.613 -14.757 -1.243 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.199 -15.101 -1.246 1.00 0.00 C ATOM 1206 C GLY A 77 0.674 -13.867 -1.025 1.00 0.00 C ATOM 1207 O GLY A 77 1.739 -13.739 -1.629 1.00 0.00 O ATOM 0 H GLY A 77 -1.791 -13.794 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.000 -15.835 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.062 -15.568 -2.196 1.00 0.00 H new ATOM 1211 N THR A 78 0.228 -12.957 -0.157 1.00 0.00 N ATOM 1212 CA THR A 78 1.023 -11.844 0.326 1.00 0.00 C ATOM 1213 C THR A 78 1.595 -12.226 1.692 1.00 0.00 C ATOM 1214 O THR A 78 1.182 -13.219 2.291 1.00 0.00 O ATOM 1215 CB THR A 78 0.162 -10.573 0.385 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.976 -9.501 0.797 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.042 -10.676 1.330 1.00 0.00 C ATOM 0 H THR A 78 -0.714 -12.980 0.233 1.00 0.00 H new ATOM 0 HA THR A 78 1.851 -11.630 -0.349 1.00 0.00 H new ATOM 0 HB THR A 78 -0.244 -10.420 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.539 -8.653 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.598 -9.739 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.692 -11.489 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.693 -10.874 2.343 1.00 0.00 H new ATOM 1225 N LYS A 79 2.530 -11.420 2.195 1.00 0.00 N ATOM 1226 CA LYS A 79 3.036 -11.507 3.561 1.00 0.00 C ATOM 1227 C LYS A 79 2.767 -10.178 4.267 1.00 0.00 C ATOM 1228 O LYS A 79 3.563 -9.731 5.089 1.00 0.00 O ATOM 1229 CB LYS A 79 4.526 -11.882 3.548 1.00 0.00 C ATOM 1230 CG LYS A 79 4.727 -13.324 3.058 1.00 0.00 C ATOM 1231 CD LYS A 79 6.166 -13.654 2.630 1.00 0.00 C ATOM 1232 CE LYS A 79 7.203 -13.650 3.765 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.600 -12.290 4.186 1.00 0.00 N ATOM 0 H LYS A 79 2.964 -10.674 1.652 1.00 0.00 H new ATOM 0 HA LYS A 79 2.523 -12.293 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.072 -11.195 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.941 -11.774 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.431 -14.009 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.060 -13.505 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.171 -14.636 2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.477 -12.934 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.795 -14.184 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.089 -14.196 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.613 -12.281 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.418 -11.620 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.049 -12.011 5.023 1.00 0.00 H new ATOM 1247 N MET A 80 1.638 -9.548 3.933 1.00 0.00 N ATOM 1248 CA MET A 80 1.279 -8.231 4.424 1.00 0.00 C ATOM 1249 C MET A 80 0.788 -8.225 5.872 1.00 0.00 C ATOM 1250 O MET A 80 0.951 -7.246 6.591 1.00 0.00 O ATOM 1251 CB MET A 80 0.306 -7.600 3.433 1.00 0.00 C ATOM 1252 CG MET A 80 -0.223 -6.249 3.907 1.00 0.00 C ATOM 1253 SD MET A 80 -0.080 -4.916 2.697 1.00 0.00 S ATOM 1254 CE MET A 80 -1.730 -4.175 2.770 1.00 0.00 C ATOM 0 H MET A 80 0.943 -9.951 3.304 1.00 0.00 H new ATOM 0 HA MET A 80 2.176 -7.613 4.476 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.804 -7.474 2.472 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.532 -8.278 3.271 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.272 -6.361 4.182 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.314 -5.960 4.810 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.790 -3.350 2.060 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.478 -4.927 2.517 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.917 -3.802 3.777 1.00 0.00 H new ATOM 1264 N ILE A 81 0.198 -9.333 6.305 1.00 0.00 N ATOM 1265 CA ILE A 81 -0.278 -9.533 7.666 1.00 0.00 C ATOM 1266 C ILE A 81 -1.170 -8.362 8.110 1.00 0.00 C ATOM 1267 O ILE A 81 -0.844 -7.616 9.030 1.00 0.00 O ATOM 1268 CB ILE A 81 0.922 -9.771 8.605 1.00 0.00 C ATOM 1269 CG1 ILE A 81 1.946 -10.789 8.067 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.486 -10.180 10.023 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.446 -12.237 8.052 1.00 0.00 C ATOM 0 H ILE A 81 0.034 -10.139 5.701 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.906 -10.423 7.711 1.00 0.00 H new ATOM 0 HB ILE A 81 1.420 -8.802 8.651 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.227 -10.503 7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.849 -10.735 8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.368 -10.336 10.644 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.129 -9.391 10.456 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.091 -11.104 9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.227 -12.888 7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.193 -12.545 9.066 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.561 -12.310 7.419 1.00 0.00 H new ATOM 1283 N PHE A 82 -2.315 -8.199 7.442 1.00 0.00 N ATOM 1284 CA PHE A 82 -3.222 -7.089 7.700 1.00 0.00 C ATOM 1285 C PHE A 82 -4.658 -7.572 7.475 1.00 0.00 C ATOM 1286 O PHE A 82 -5.092 -7.714 6.336 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.814 -5.914 6.800 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.270 -4.564 7.302 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.614 -3.969 8.397 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.337 -3.896 6.679 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.053 -2.730 8.894 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.758 -2.649 7.165 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.140 -2.076 8.290 1.00 0.00 C ATOM 0 H PHE A 82 -2.634 -8.833 6.710 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.167 -6.736 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.728 -5.905 6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.223 -6.076 5.803 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.772 -4.466 8.856 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.832 -4.341 5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.555 -2.280 9.740 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.563 -2.125 6.671 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.499 -1.138 8.688 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.367 -7.917 8.556 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.668 -8.579 8.506 1.00 0.00 C ATOM 1305 C ALA A 83 -7.778 -7.603 8.897 1.00 0.00 C ATOM 1306 O ALA A 83 -8.345 -7.706 9.982 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.643 -9.804 9.425 1.00 0.00 C ATOM 0 H ALA A 83 -5.043 -7.739 9.507 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.875 -8.912 7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.611 -10.303 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.868 -10.494 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.432 -9.488 10.447 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.079 -6.652 8.011 1.00 0.00 N ATOM 1314 CA GLY A 84 -9.037 -5.582 8.240 1.00 0.00 C ATOM 1315 C GLY A 84 -8.318 -4.266 7.981 1.00 0.00 C ATOM 1316 O GLY A 84 -7.357 -4.251 7.218 1.00 0.00 O ATOM 0 H GLY A 84 -7.647 -6.609 7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.896 -5.687 7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.416 -5.618 9.261 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.752 -3.175 8.623 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.113 -1.882 8.509 1.00 0.00 C ATOM 1322 C ILE A 85 -8.469 -1.098 9.772 1.00 0.00 C ATOM 1323 O ILE A 85 -7.615 -0.926 10.637 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.453 -1.250 7.143 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.856 0.154 6.970 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.951 -1.244 6.798 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.127 0.314 5.637 1.00 0.00 C ATOM 0 H ILE A 85 -9.565 -3.177 9.239 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.024 -1.917 8.485 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.975 -1.916 6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.652 0.896 7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.163 0.355 7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.098 -0.782 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.323 -2.268 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.496 -0.678 7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.723 1.324 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.313 -0.408 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.825 0.141 4.818 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.744 -0.731 9.953 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.240 -0.164 11.187 1.00 0.00 C ATOM 1341 C LYS A 86 -11.771 -0.236 11.199 1.00 0.00 C ATOM 1342 O LYS A 86 -12.342 -1.143 11.796 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.705 1.263 11.307 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.162 1.917 12.602 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.172 3.033 12.958 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.604 3.815 14.203 1.00 0.00 C ATOM 1347 NZ LYS A 86 -8.537 4.733 14.653 1.00 0.00 N ATOM 0 H LYS A 86 -10.458 -0.826 9.231 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.894 -0.724 12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.616 1.250 11.268 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.047 1.855 10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.167 2.324 12.487 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.207 1.180 13.404 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.186 2.601 13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.080 3.718 12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.508 4.383 13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.852 3.120 15.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.857 5.249 15.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.683 4.186 14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.319 5.410 13.895 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.428 0.728 10.545 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.875 0.903 10.534 1.00 0.00 C ATOM 1363 C LYS A 87 -14.193 2.032 9.550 1.00 0.00 C ATOM 1364 O LYS A 87 -14.406 3.175 9.959 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.390 1.213 11.952 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.922 1.352 11.991 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.455 1.439 13.429 1.00 0.00 C ATOM 1368 CE LYS A 87 -16.543 0.052 14.091 1.00 0.00 C ATOM 1369 NZ LYS A 87 -17.027 0.126 15.485 1.00 0.00 N ATOM 0 H LYS A 87 -11.943 1.432 9.989 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.378 -0.010 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.081 0.419 12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.933 2.135 12.310 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.219 2.244 11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.376 0.499 11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.804 2.083 14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.442 1.902 13.424 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.211 -0.584 13.510 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.560 -0.419 14.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.070 -0.831 15.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.377 0.711 16.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.976 0.551 15.501 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.175 1.704 8.253 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.404 2.601 7.122 1.00 0.00 C ATOM 1385 C LYS A 88 -13.335 3.695 7.042 1.00 0.00 C ATOM 1386 O LYS A 88 -12.533 3.704 6.114 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.829 3.182 7.140 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.153 3.895 5.816 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.347 4.845 5.982 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.630 5.575 4.658 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.671 6.615 4.799 1.00 0.00 N ATOM 0 H LYS A 88 -13.989 0.748 7.950 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.315 2.008 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.549 2.382 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.929 3.883 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.282 4.456 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.375 3.156 5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.228 4.283 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.138 5.570 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.710 6.033 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.944 4.850 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.826 7.078 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.558 6.177 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.363 7.323 5.496 1.00 0.00 H new ATOM 1405 N THR A 89 -13.350 4.617 8.005 1.00 0.00 N ATOM 1406 CA THR A 89 -12.498 5.784 8.150 1.00 0.00 C ATOM 1407 C THR A 89 -11.105 5.552 7.570 1.00 0.00 C ATOM 1408 O THR A 89 -10.726 6.219 6.604 1.00 0.00 O ATOM 1409 CB THR A 89 -12.444 6.159 9.640 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.760 6.190 10.158 1.00 0.00 O ATOM 1411 CG2 THR A 89 -11.768 7.518 9.857 1.00 0.00 C ATOM 0 H THR A 89 -14.022 4.554 8.770 1.00 0.00 H new ATOM 0 HA THR A 89 -12.918 6.613 7.580 1.00 0.00 H new ATOM 0 HB THR A 89 -11.851 5.408 10.162 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.732 6.427 11.109 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.749 7.749 10.922 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.748 7.482 9.475 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.326 8.291 9.329 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.367 4.608 8.160 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.990 4.313 7.797 1.00 0.00 C ATOM 1421 C GLU A 90 -8.893 3.855 6.341 1.00 0.00 C ATOM 1422 O GLU A 90 -7.978 4.246 5.623 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.428 3.264 8.766 1.00 0.00 C ATOM 1424 CG GLU A 90 -6.899 3.300 8.771 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.302 2.484 9.906 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.622 2.810 11.073 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.507 1.575 9.588 1.00 0.00 O ATOM 0 H GLU A 90 -10.721 4.021 8.915 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.389 5.219 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.805 3.451 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.773 2.271 8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.527 2.920 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.563 4.334 8.855 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.871 3.063 5.896 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.917 2.518 4.546 1.00 0.00 C ATOM 1436 C ARG A 91 -10.090 3.606 3.489 1.00 0.00 C ATOM 1437 O ARG A 91 -9.868 3.338 2.312 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.032 1.463 4.435 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.778 0.465 3.291 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.827 0.560 2.183 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.129 0.028 2.618 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.326 0.628 2.513 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.431 1.893 2.087 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.428 -0.058 2.844 1.00 0.00 N ATOM 0 H ARG A 91 -10.662 2.781 6.475 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.957 2.040 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.111 0.920 5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.987 1.962 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.790 0.647 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.770 -0.548 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.942 1.600 1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.483 0.009 1.308 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.121 -0.898 3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.593 2.418 1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.349 2.332 2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.350 -1.021 3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.345 0.383 2.770 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.492 4.816 3.892 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.473 5.980 3.028 1.00 0.00 C ATOM 1460 C GLU A 92 -9.219 6.809 3.335 1.00 0.00 C ATOM 1461 O GLU A 92 -8.518 7.240 2.427 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.783 6.746 3.245 1.00 0.00 C ATOM 1463 CG GLU A 92 -11.967 7.904 2.253 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.170 7.405 0.826 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.018 6.499 0.670 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -11.476 7.937 -0.067 1.00 0.00 O ATOM 0 H GLU A 92 -10.839 5.006 4.832 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.416 5.713 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.622 6.056 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.805 7.138 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.825 8.505 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.093 8.555 2.289 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.920 7.034 4.620 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.878 7.956 5.067 1.00 0.00 C ATOM 1475 C ASP A 93 -6.509 7.562 4.537 1.00 0.00 C ATOM 1476 O ASP A 93 -5.791 8.382 3.980 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.833 8.040 6.600 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.006 9.465 7.082 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.375 10.391 6.520 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.937 9.618 7.901 1.00 0.00 O ATOM 0 H ASP A 93 -9.405 6.571 5.388 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.133 8.936 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.618 7.414 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.882 7.646 6.959 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.130 6.299 4.705 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.913 5.755 4.124 1.00 0.00 C ATOM 1487 C LEU A 94 -4.873 6.031 2.627 1.00 0.00 C ATOM 1488 O LEU A 94 -3.898 6.567 2.101 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.883 4.249 4.398 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.317 3.926 5.787 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.808 3.847 5.655 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.582 4.959 6.885 1.00 0.00 C ATOM 0 H LEU A 94 -6.663 5.623 5.251 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.039 6.228 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.892 3.846 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.279 3.755 3.637 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.817 3.006 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.369 3.618 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.545 3.063 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.423 4.803 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.134 4.620 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.144 5.915 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.657 5.078 7.020 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.973 5.721 1.949 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.085 5.904 0.514 1.00 0.00 C ATOM 1506 C ILE A 95 -6.146 7.401 0.164 1.00 0.00 C ATOM 1507 O ILE A 95 -6.067 7.753 -1.010 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.285 5.084 -0.010 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.310 3.652 0.569 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.310 5.011 -1.546 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.010 2.867 0.377 1.00 0.00 C ATOM 0 H ILE A 95 -6.811 5.335 2.384 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.198 5.525 0.007 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.174 5.614 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.532 3.708 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.126 3.099 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.171 4.425 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.382 6.018 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.395 4.538 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.117 1.874 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.795 2.774 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.191 3.393 0.868 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.231 8.300 1.156 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.284 9.732 0.939 1.00 0.00 C ATOM 1525 C ALA A 96 -4.856 10.245 1.069 1.00 0.00 C ATOM 1526 O ALA A 96 -4.383 10.996 0.218 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.251 10.372 1.942 1.00 0.00 C ATOM 0 H ALA A 96 -6.265 8.037 2.141 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.665 9.992 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.288 11.449 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.247 9.950 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.907 10.173 2.957 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.140 9.778 2.097 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.727 10.044 2.235 1.00 0.00 C ATOM 1535 C TYR A 97 -1.991 9.564 1.001 1.00 0.00 C ATOM 1536 O TYR A 97 -1.251 10.328 0.409 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.104 9.372 3.462 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.576 9.479 3.495 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.064 10.626 2.982 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.219 8.448 4.024 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.457 10.781 3.048 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.613 8.612 4.103 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.234 9.771 3.621 1.00 0.00 C ATOM 1544 OH TYR A 97 3.575 9.949 3.777 1.00 0.00 O ATOM 0 H TYR A 97 -4.533 9.209 2.847 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.629 11.122 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.514 9.826 4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.389 8.320 3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.532 11.404 2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.239 7.533 4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.925 11.673 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.215 7.831 4.543 1.00 0.00 H new ATOM 0 HH TYR A 97 3.945 9.207 4.299 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.118 8.301 0.608 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.232 7.817 -0.445 1.00 0.00 C ATOM 1556 C LEU A 98 -1.448 8.566 -1.766 1.00 0.00 C ATOM 1557 O LEU A 98 -0.531 8.677 -2.584 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.311 6.301 -0.564 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.944 5.626 0.768 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.111 4.114 0.618 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.471 5.951 1.265 1.00 0.00 C ATOM 0 H LEU A 98 -2.787 7.625 0.978 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.203 8.043 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.318 6.007 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.636 5.958 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.621 6.025 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.853 3.625 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.146 3.886 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.453 3.752 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.652 5.437 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.201 5.621 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.566 7.027 1.413 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.636 9.156 -1.920 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.992 9.976 -3.071 1.00 0.00 C ATOM 1575 C LYS A 99 -2.172 11.273 -3.141 1.00 0.00 C ATOM 1576 O LYS A 99 -2.043 11.850 -4.218 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.507 10.242 -3.049 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.215 9.577 -4.237 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.726 9.426 -4.005 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.460 10.766 -3.845 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.818 10.581 -3.293 1.00 0.00 N ATOM 0 H LYS A 99 -3.387 9.073 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.744 9.430 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.929 9.867 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.689 11.317 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.045 10.169 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.777 8.595 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.161 8.881 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.890 8.823 -3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.886 11.420 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.525 11.264 -4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.283 11.506 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.373 9.978 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.754 10.129 -2.359 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.602 11.718 -2.015 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.622 12.799 -1.960 1.00 0.00 C ATOM 1597 C LYS A 100 0.799 12.238 -1.830 1.00 0.00 C ATOM 1598 O LYS A 100 1.711 12.840 -2.379 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.973 13.861 -0.895 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.473 13.525 0.516 1.00 0.00 C ATOM 1601 CD LYS A 100 -1.069 14.402 1.631 1.00 0.00 C ATOM 1602 CE LYS A 100 -0.130 15.505 2.143 1.00 0.00 C ATOM 1603 NZ LYS A 100 0.498 16.274 1.057 1.00 0.00 N ATOM 0 H LYS A 100 -1.817 11.325 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.658 13.337 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.551 14.818 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.055 13.985 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.703 12.481 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.612 13.623 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.985 14.864 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.349 13.763 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.692 16.184 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.648 15.055 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.712 17.235 1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.379 15.805 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.153 16.326 0.247 1.00 0.00 H new ATOM 1617 N ALA A 101 1.000 11.094 -1.157 1.00 0.00 N ATOM 1618 CA ALA A 101 2.306 10.449 -0.993 1.00 0.00 C ATOM 1619 C ALA A 101 2.974 10.250 -2.350 1.00 0.00 C ATOM 1620 O ALA A 101 4.161 10.512 -2.510 1.00 0.00 O ATOM 1621 CB ALA A 101 2.193 9.115 -0.252 1.00 0.00 C ATOM 0 H ALA A 101 0.242 10.584 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 101 2.925 11.109 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.183 8.670 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.769 9.283 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.547 8.440 -0.814 1.00 0.00 H new ATOM 1627 N THR A 102 2.198 9.807 -3.342 1.00 0.00 N ATOM 1628 CA THR A 102 2.680 9.705 -4.714 1.00 0.00 C ATOM 1629 C THR A 102 3.270 11.032 -5.212 1.00 0.00 C ATOM 1630 O THR A 102 4.262 11.045 -5.943 1.00 0.00 O ATOM 1631 CB THR A 102 1.545 9.211 -5.624 1.00 0.00 C ATOM 1632 OG1 THR A 102 2.019 8.947 -6.930 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.353 10.170 -5.707 1.00 0.00 C ATOM 0 H THR A 102 1.230 9.513 -3.216 1.00 0.00 H new ATOM 0 HA THR A 102 3.492 8.979 -4.743 1.00 0.00 H new ATOM 0 HB THR A 102 1.188 8.292 -5.159 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.079 7.978 -7.067 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.406 9.751 -6.368 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.070 10.312 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.686 11.131 -6.100 1.00 0.00 H new ATOM 1641 N ASN A 103 2.637 12.148 -4.852 1.00 0.00 N ATOM 1642 CA ASN A 103 2.950 13.482 -5.340 1.00 0.00 C ATOM 1643 C ASN A 103 4.142 14.082 -4.594 1.00 0.00 C ATOM 1644 O ASN A 103 5.069 14.550 -5.251 1.00 0.00 O ATOM 1645 CB ASN A 103 1.700 14.366 -5.216 1.00 0.00 C ATOM 1646 CG ASN A 103 1.857 15.697 -5.945 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.684 16.523 -5.582 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.039 15.935 -6.968 1.00 0.00 N ATOM 0 H ASN A 103 1.864 12.143 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 103 3.239 13.423 -6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.839 13.833 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.494 14.554 -4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.093 16.822 -7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.358 15.230 -7.251 1.00 0.00 H new ATOM 1655 N GLU A 104 4.099 14.065 -3.255 1.00 0.00 N ATOM 1656 CA GLU A 104 5.069 14.742 -2.397 1.00 0.00 C ATOM 1657 C GLU A 104 6.481 14.153 -2.485 1.00 0.00 C ATOM 1658 O GLU A 104 7.357 14.633 -1.737 1.00 0.00 O ATOM 1659 CB GLU A 104 4.534 14.874 -0.956 1.00 0.00 C ATOM 1660 CG GLU A 104 4.154 13.608 -0.167 1.00 0.00 C ATOM 1661 CD GLU A 104 3.543 14.007 1.165 1.00 0.00 C ATOM 1662 OE1 GLU A 104 2.561 14.783 1.108 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.033 13.540 2.212 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.688 13.263 -3.338 1.00 0.00 O ATOM 0 H GLU A 104 3.375 13.571 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 104 5.188 15.755 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.288 15.406 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.651 15.512 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.446 13.009 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.037 12.989 -0.004 1.00 0.00 H new