USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 619 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 13 THR OG1 : rot -141:sc= 1.07 USER MOD Set 1.2: A 41 GLN : amide:sc= 1.83 K(o=2.9,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 172:sc= 2.4 (180deg=1.87) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 156:sc= -0.0428 (180deg=-0.944) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.09) USER MOD Single : A 12 MET CE :methyl 170:sc= -0.182 (180deg=-0.535) USER MOD Single : A 15 HIS : no HD1:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -54:sc= 0.553 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.777 K(o=0.78,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.217 K(o=-0.22,f=-0.99) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 50 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.55) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 157:sc= -0.576 (180deg=-2.57) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.266 (180deg=-0.785) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 1.17 K(o=1.2,f=-1.2) USER MOD Single : A 64 MET CE :methyl 177:sc= 0 (180deg=-0.00518) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 1.15 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.023 -0.908 16.665 1.00 0.00 N ATOM 2 CA GLY A 1 1.765 -0.154 16.811 1.00 0.00 C ATOM 3 C GLY A 1 1.064 0.021 15.465 1.00 0.00 C ATOM 4 O GLY A 1 -0.093 -0.357 15.294 1.00 0.00 O ATOM 0 H1 GLY A 1 3.542 -0.895 17.566 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.810 -1.892 16.403 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.606 -0.470 15.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.104 -0.676 17.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.973 0.824 17.245 1.00 0.00 H new ATOM 10 N GLU A 2 1.792 0.603 14.515 1.00 0.00 N ATOM 11 CA GLU A 2 1.500 0.604 13.095 1.00 0.00 C ATOM 12 C GLU A 2 1.267 -0.823 12.583 1.00 0.00 C ATOM 13 O GLU A 2 1.694 -1.790 13.219 1.00 0.00 O ATOM 14 CB GLU A 2 2.684 1.260 12.361 1.00 0.00 C ATOM 15 CG GLU A 2 4.056 0.593 12.623 1.00 0.00 C ATOM 16 CD GLU A 2 4.770 1.089 13.877 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.398 0.594 14.970 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.628 1.984 13.733 1.00 0.00 O ATOM 0 H GLU A 2 2.648 1.113 14.734 1.00 0.00 H new ATOM 0 HA GLU A 2 0.586 1.168 12.906 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.485 1.242 11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.742 2.308 12.657 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.913 -0.485 12.704 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.700 0.765 11.761 1.00 0.00 H new ATOM 25 N VAL A 3 0.613 -0.958 11.425 1.00 0.00 N ATOM 26 CA VAL A 3 0.405 -2.218 10.763 1.00 0.00 C ATOM 27 C VAL A 3 0.871 -2.121 9.304 1.00 0.00 C ATOM 28 O VAL A 3 0.544 -1.169 8.593 1.00 0.00 O ATOM 29 CB VAL A 3 -1.045 -2.654 10.946 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.467 -2.710 12.421 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.009 -1.809 10.135 1.00 0.00 C ATOM 0 H VAL A 3 0.210 -0.167 10.923 1.00 0.00 H new ATOM 0 HA VAL A 3 1.011 -3.006 11.210 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.096 -3.672 10.560 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.508 -3.026 12.490 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.836 -3.422 12.953 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.357 -1.722 12.869 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.028 -2.160 10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.929 -0.767 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.764 -1.892 9.076 1.00 0.00 H new ATOM 41 N VAL A 4 1.656 -3.112 8.878 1.00 0.00 N ATOM 42 CA VAL A 4 2.059 -3.338 7.503 1.00 0.00 C ATOM 43 C VAL A 4 0.903 -4.062 6.815 1.00 0.00 C ATOM 44 O VAL A 4 0.492 -5.142 7.247 1.00 0.00 O ATOM 45 CB VAL A 4 3.395 -4.128 7.449 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.406 -5.348 6.513 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.547 -3.224 7.010 1.00 0.00 C ATOM 0 H VAL A 4 2.042 -3.807 9.517 1.00 0.00 H new ATOM 0 HA VAL A 4 2.256 -2.403 6.979 1.00 0.00 H new ATOM 0 HB VAL A 4 3.513 -4.492 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.385 -5.827 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.642 -6.058 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.199 -5.026 5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.471 -3.801 6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.337 -2.823 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.655 -2.402 7.718 1.00 0.00 H new ATOM 57 N LEU A 5 0.408 -3.477 5.725 1.00 0.00 N ATOM 58 CA LEU A 5 -0.354 -4.200 4.728 1.00 0.00 C ATOM 59 C LEU A 5 0.647 -4.641 3.685 1.00 0.00 C ATOM 60 O LEU A 5 1.413 -3.812 3.195 1.00 0.00 O ATOM 61 CB LEU A 5 -1.366 -3.276 4.056 1.00 0.00 C ATOM 62 CG LEU A 5 -2.618 -3.092 4.902 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.334 -1.828 4.424 1.00 0.00 C ATOM 64 CD2 LEU A 5 -3.539 -4.297 4.720 1.00 0.00 C ATOM 0 H LEU A 5 0.529 -2.486 5.515 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.892 -5.033 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.905 -2.305 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.642 -3.686 3.084 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.353 -3.003 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.236 -1.675 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.673 -0.969 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.604 -1.938 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.435 -4.165 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.820 -4.385 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.020 -5.203 5.033 1.00 0.00 H new ATOM 76 N LYS A 6 0.631 -5.927 3.350 1.00 0.00 N ATOM 77 CA LYS A 6 1.388 -6.491 2.259 1.00 0.00 C ATOM 78 C LYS A 6 0.363 -6.874 1.205 1.00 0.00 C ATOM 79 O LYS A 6 -0.621 -7.555 1.520 1.00 0.00 O ATOM 80 CB LYS A 6 2.126 -7.726 2.763 1.00 0.00 C ATOM 81 CG LYS A 6 3.472 -7.956 2.068 1.00 0.00 C ATOM 82 CD LYS A 6 4.581 -7.641 3.076 1.00 0.00 C ATOM 83 CE LYS A 6 5.947 -8.091 2.540 1.00 0.00 C ATOM 84 NZ LYS A 6 6.965 -8.156 3.609 1.00 0.00 N ATOM 0 H LYS A 6 0.072 -6.618 3.850 1.00 0.00 H new ATOM 0 HA LYS A 6 2.126 -5.799 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.291 -7.629 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.495 -8.603 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.552 -8.987 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.562 -7.317 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.600 -6.570 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.373 -8.142 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.849 -9.071 2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.278 -7.400 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.873 -8.464 3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.078 -7.216 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.662 -8.835 4.336 1.00 0.00 H new ATOM 98 N MET A 7 0.564 -6.418 -0.028 1.00 0.00 N ATOM 99 CA MET A 7 -0.371 -6.643 -1.092 1.00 0.00 C ATOM 100 C MET A 7 0.375 -6.931 -2.375 1.00 0.00 C ATOM 101 O MET A 7 1.313 -6.227 -2.724 1.00 0.00 O ATOM 102 CB MET A 7 -1.298 -5.441 -1.190 1.00 0.00 C ATOM 103 CG MET A 7 -0.658 -4.135 -1.598 1.00 0.00 C ATOM 104 SD MET A 7 -1.528 -2.630 -1.093 1.00 0.00 S ATOM 105 CE MET A 7 -2.962 -2.644 -2.183 1.00 0.00 C ATOM 0 H MET A 7 1.387 -5.882 -0.304 1.00 0.00 H new ATOM 0 HA MET A 7 -0.991 -7.518 -0.894 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.086 -5.674 -1.906 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.778 -5.299 -0.222 1.00 0.00 H new ATOM 0 HG2 MET A 7 0.350 -4.103 -1.185 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.558 -4.126 -2.683 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.768 -2.067 -1.731 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.694 -2.203 -3.143 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.293 -3.671 -2.336 1.00 0.00 H new ATOM 115 N LYS A 8 -0.042 -7.984 -3.062 1.00 0.00 N ATOM 116 CA LYS A 8 0.541 -8.299 -4.362 1.00 0.00 C ATOM 117 C LYS A 8 -0.044 -7.314 -5.363 1.00 0.00 C ATOM 118 O LYS A 8 -1.237 -7.039 -5.272 1.00 0.00 O ATOM 119 CB LYS A 8 0.246 -9.743 -4.778 1.00 0.00 C ATOM 120 CG LYS A 8 1.138 -10.771 -4.075 1.00 0.00 C ATOM 121 CD LYS A 8 0.877 -10.886 -2.565 1.00 0.00 C ATOM 122 CE LYS A 8 1.583 -12.107 -1.957 1.00 0.00 C ATOM 123 NZ LYS A 8 3.053 -11.986 -2.019 1.00 0.00 N ATOM 0 H LYS A 8 -0.770 -8.627 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 8 1.627 -8.211 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.798 -9.970 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.376 -9.837 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.986 -11.747 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.182 -10.502 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.222 -9.980 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.196 -10.959 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.273 -12.225 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.271 -13.007 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.488 -12.884 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.342 -11.764 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.366 -11.225 -1.383 1.00 0.00 H new ATOM 137 N VAL A 9 0.763 -6.787 -6.285 1.00 0.00 N ATOM 138 CA VAL A 9 0.312 -5.934 -7.373 1.00 0.00 C ATOM 139 C VAL A 9 0.798 -6.569 -8.667 1.00 0.00 C ATOM 140 O VAL A 9 1.837 -7.219 -8.649 1.00 0.00 O ATOM 141 CB VAL A 9 0.888 -4.517 -7.227 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.201 -3.754 -6.094 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.408 -4.495 -7.027 1.00 0.00 C ATOM 0 H VAL A 9 1.770 -6.948 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.774 -5.846 -7.365 1.00 0.00 H new ATOM 0 HB VAL A 9 0.684 -4.018 -8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.630 -2.755 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.866 -3.675 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.348 -4.287 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.747 -3.464 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.664 -5.047 -6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.895 -4.959 -7.885 1.00 0.00 H new ATOM 153 N GLU A 10 0.079 -6.375 -9.773 1.00 0.00 N ATOM 154 CA GLU A 10 0.491 -6.906 -11.065 1.00 0.00 C ATOM 155 C GLU A 10 0.871 -5.770 -12.008 1.00 0.00 C ATOM 156 O GLU A 10 0.365 -4.654 -11.885 1.00 0.00 O ATOM 157 CB GLU A 10 -0.605 -7.804 -11.651 1.00 0.00 C ATOM 158 CG GLU A 10 -0.942 -9.009 -10.751 1.00 0.00 C ATOM 159 CD GLU A 10 0.093 -10.133 -10.806 1.00 0.00 C ATOM 160 OE1 GLU A 10 1.303 -9.826 -10.743 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.354 -11.295 -10.915 1.00 0.00 O ATOM 0 H GLU A 10 -0.796 -5.851 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 10 1.377 -7.526 -10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.506 -7.212 -11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.286 -8.166 -12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.036 -8.665 -9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.913 -9.408 -11.044 1.00 0.00 H new ATOM 168 N GLY A 11 1.800 -6.038 -12.929 1.00 0.00 N ATOM 169 CA GLY A 11 2.184 -5.107 -13.986 1.00 0.00 C ATOM 170 C GLY A 11 3.106 -3.978 -13.513 1.00 0.00 C ATOM 171 O GLY A 11 3.937 -3.503 -14.285 1.00 0.00 O ATOM 0 H GLY A 11 2.312 -6.920 -12.960 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.682 -5.661 -14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.283 -4.671 -14.418 1.00 0.00 H new ATOM 175 N MET A 12 2.947 -3.519 -12.267 1.00 0.00 N ATOM 176 CA MET A 12 3.744 -2.448 -11.688 1.00 0.00 C ATOM 177 C MET A 12 5.207 -2.864 -11.494 1.00 0.00 C ATOM 178 O MET A 12 5.641 -3.163 -10.381 1.00 0.00 O ATOM 179 CB MET A 12 3.163 -2.034 -10.342 1.00 0.00 C ATOM 180 CG MET A 12 1.761 -1.422 -10.412 1.00 0.00 C ATOM 181 SD MET A 12 1.005 -1.098 -8.797 1.00 0.00 S ATOM 182 CE MET A 12 2.357 -0.256 -7.941 1.00 0.00 C ATOM 0 H MET A 12 2.247 -3.892 -11.626 1.00 0.00 H new ATOM 0 HA MET A 12 3.715 -1.610 -12.385 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.131 -2.908 -9.691 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.836 -1.314 -9.877 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.813 -0.487 -10.969 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.112 -2.093 -10.975 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.990 0.162 -7.004 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.155 -0.968 -7.733 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.742 0.547 -8.570 1.00 0.00 H new ATOM 192 N THR A 13 5.965 -2.842 -12.582 1.00 0.00 N ATOM 193 CA THR A 13 7.303 -3.401 -12.661 1.00 0.00 C ATOM 194 C THR A 13 8.249 -2.412 -13.353 1.00 0.00 C ATOM 195 O THR A 13 9.059 -2.800 -14.194 1.00 0.00 O ATOM 196 CB THR A 13 7.212 -4.769 -13.357 1.00 0.00 C ATOM 197 OG1 THR A 13 6.018 -5.425 -12.964 1.00 0.00 O ATOM 198 CG2 THR A 13 8.397 -5.651 -12.964 1.00 0.00 C ATOM 0 H THR A 13 5.655 -2.422 -13.458 1.00 0.00 H new ATOM 0 HA THR A 13 7.727 -3.564 -11.670 1.00 0.00 H new ATOM 0 HB THR A 13 7.220 -4.605 -14.435 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.196 -6.380 -12.837 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.315 -6.615 -13.466 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.326 -5.165 -13.260 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.395 -5.803 -11.885 1.00 0.00 H new ATOM 206 N CYS A 14 8.153 -1.129 -12.992 1.00 0.00 N ATOM 207 CA CYS A 14 8.940 -0.051 -13.568 1.00 0.00 C ATOM 208 C CYS A 14 8.905 1.143 -12.619 1.00 0.00 C ATOM 209 O CYS A 14 7.929 1.318 -11.886 1.00 0.00 O ATOM 210 CB CYS A 14 8.395 0.297 -14.962 1.00 0.00 C ATOM 211 SG CYS A 14 6.585 0.288 -15.151 1.00 0.00 S ATOM 0 H CYS A 14 7.506 -0.810 -12.271 1.00 0.00 H new ATOM 0 HA CYS A 14 9.980 -0.354 -13.694 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.762 1.287 -15.234 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.817 -0.408 -15.679 1.00 0.00 H new ATOM 216 N HIS A 15 9.964 1.965 -12.629 1.00 0.00 N ATOM 217 CA HIS A 15 10.119 3.141 -11.772 1.00 0.00 C ATOM 218 C HIS A 15 9.237 4.301 -12.248 1.00 0.00 C ATOM 219 O HIS A 15 9.711 5.417 -12.452 1.00 0.00 O ATOM 220 CB HIS A 15 11.602 3.543 -11.676 1.00 0.00 C ATOM 221 CG HIS A 15 12.383 2.745 -10.665 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.991 3.257 -9.540 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.585 1.391 -10.666 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.549 2.229 -8.879 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.330 1.073 -9.527 1.00 0.00 N ATOM 0 H HIS A 15 10.758 1.823 -13.253 1.00 0.00 H new ATOM 0 HA HIS A 15 9.780 2.883 -10.769 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.065 3.424 -12.655 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.666 4.600 -11.419 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.232 0.694 -11.412 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.098 2.320 -7.954 1.00 0.00 H new ATOM 0 HE2 HIS A 15 13.645 0.145 -9.244 1.00 0.00 H new ATOM 233 N SER A 16 7.936 4.039 -12.357 1.00 0.00 N ATOM 234 CA SER A 16 6.915 5.036 -12.616 1.00 0.00 C ATOM 235 C SER A 16 5.741 4.737 -11.694 1.00 0.00 C ATOM 236 O SER A 16 5.441 5.527 -10.802 1.00 0.00 O ATOM 237 CB SER A 16 6.509 5.021 -14.097 1.00 0.00 C ATOM 238 OG SER A 16 7.626 5.331 -14.908 1.00 0.00 O ATOM 0 H SER A 16 7.558 3.096 -12.264 1.00 0.00 H new ATOM 0 HA SER A 16 7.288 6.040 -12.414 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.116 4.040 -14.365 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.711 5.743 -14.271 1.00 0.00 H new ATOM 0 HG SER A 16 7.359 5.318 -15.851 1.00 0.00 H new ATOM 244 N CYS A 17 5.103 3.582 -11.892 1.00 0.00 N ATOM 245 CA CYS A 17 3.882 3.204 -11.198 1.00 0.00 C ATOM 246 C CYS A 17 4.138 3.155 -9.694 1.00 0.00 C ATOM 247 O CYS A 17 3.460 3.833 -8.922 1.00 0.00 O ATOM 248 CB CYS A 17 3.382 1.861 -11.744 1.00 0.00 C ATOM 249 SG CYS A 17 3.423 1.714 -13.552 1.00 0.00 S ATOM 0 H CYS A 17 5.430 2.875 -12.551 1.00 0.00 H new ATOM 0 HA CYS A 17 3.102 3.946 -11.372 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.986 1.062 -11.314 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.358 1.704 -11.404 1.00 0.00 H new ATOM 254 N THR A 18 5.157 2.379 -9.307 1.00 0.00 N ATOM 255 CA THR A 18 5.628 2.258 -7.933 1.00 0.00 C ATOM 256 C THR A 18 5.747 3.639 -7.299 1.00 0.00 C ATOM 257 O THR A 18 5.011 3.960 -6.370 1.00 0.00 O ATOM 258 CB THR A 18 6.939 1.446 -7.900 1.00 0.00 C ATOM 259 OG1 THR A 18 7.430 1.247 -6.596 1.00 0.00 O ATOM 260 CG2 THR A 18 8.098 1.998 -8.729 1.00 0.00 C ATOM 0 H THR A 18 5.687 1.805 -9.962 1.00 0.00 H new ATOM 0 HA THR A 18 4.907 1.706 -7.330 1.00 0.00 H new ATOM 0 HB THR A 18 6.616 0.510 -8.355 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.514 2.112 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.963 1.343 -8.627 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.804 2.049 -9.777 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.355 2.996 -8.375 1.00 0.00 H new ATOM 268 N SER A 19 6.628 4.476 -7.852 1.00 0.00 N ATOM 269 CA SER A 19 6.980 5.756 -7.263 1.00 0.00 C ATOM 270 C SER A 19 5.753 6.671 -7.231 1.00 0.00 C ATOM 271 O SER A 19 5.534 7.386 -6.258 1.00 0.00 O ATOM 272 CB SER A 19 8.125 6.372 -8.077 1.00 0.00 C ATOM 273 OG SER A 19 8.602 7.555 -7.470 1.00 0.00 O ATOM 0 H SER A 19 7.116 4.277 -8.725 1.00 0.00 H new ATOM 0 HA SER A 19 7.314 5.623 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.939 5.653 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.780 6.592 -9.087 1.00 0.00 H new ATOM 0 HG SER A 19 9.332 7.927 -8.007 1.00 0.00 H new ATOM 279 N THR A 20 4.929 6.643 -8.284 1.00 0.00 N ATOM 280 CA THR A 20 3.694 7.411 -8.321 1.00 0.00 C ATOM 281 C THR A 20 2.789 7.006 -7.157 1.00 0.00 C ATOM 282 O THR A 20 2.292 7.873 -6.442 1.00 0.00 O ATOM 283 CB THR A 20 2.998 7.249 -9.681 1.00 0.00 C ATOM 284 OG1 THR A 20 3.851 7.730 -10.697 1.00 0.00 O ATOM 285 CG2 THR A 20 1.693 8.048 -9.758 1.00 0.00 C ATOM 0 H THR A 20 5.103 6.091 -9.124 1.00 0.00 H new ATOM 0 HA THR A 20 3.925 8.470 -8.205 1.00 0.00 H new ATOM 0 HB THR A 20 2.773 6.190 -9.807 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.484 7.027 -10.953 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.235 7.904 -10.737 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.009 7.703 -8.983 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.905 9.107 -9.609 1.00 0.00 H new ATOM 293 N ILE A 21 2.562 5.704 -6.955 1.00 0.00 N ATOM 294 CA ILE A 21 1.725 5.220 -5.875 1.00 0.00 C ATOM 295 C ILE A 21 2.348 5.588 -4.527 1.00 0.00 C ATOM 296 O ILE A 21 1.678 6.184 -3.690 1.00 0.00 O ATOM 297 CB ILE A 21 1.465 3.717 -6.093 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.139 3.570 -6.839 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.390 2.932 -4.795 1.00 0.00 C ATOM 300 CD1 ILE A 21 -0.020 2.235 -7.560 1.00 0.00 C ATOM 0 H ILE A 21 2.956 4.966 -7.538 1.00 0.00 H new ATOM 0 HA ILE A 21 0.747 5.701 -5.868 1.00 0.00 H new ATOM 0 HB ILE A 21 2.302 3.312 -6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.680 3.689 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.051 4.377 -7.566 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.205 1.881 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.332 3.029 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.579 3.322 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.985 2.207 -8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.777 2.121 -8.294 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.034 1.422 -6.836 1.00 0.00 H new ATOM 312 N GLU A 22 3.629 5.277 -4.335 1.00 0.00 N ATOM 313 CA GLU A 22 4.425 5.670 -3.183 1.00 0.00 C ATOM 314 C GLU A 22 4.183 7.146 -2.841 1.00 0.00 C ATOM 315 O GLU A 22 3.784 7.469 -1.725 1.00 0.00 O ATOM 316 CB GLU A 22 5.900 5.343 -3.496 1.00 0.00 C ATOM 317 CG GLU A 22 6.238 3.921 -3.026 1.00 0.00 C ATOM 318 CD GLU A 22 7.553 3.387 -3.589 1.00 0.00 C ATOM 319 OE1 GLU A 22 7.628 3.241 -4.832 1.00 0.00 O ATOM 320 OE2 GLU A 22 8.449 3.109 -2.759 1.00 0.00 O ATOM 0 H GLU A 22 4.158 4.722 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 22 4.135 5.115 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.081 5.433 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.553 6.062 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.287 3.909 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.429 3.250 -3.316 1.00 0.00 H new ATOM 327 N GLY A 23 4.368 8.037 -3.815 1.00 0.00 N ATOM 328 CA GLY A 23 4.126 9.460 -3.664 1.00 0.00 C ATOM 329 C GLY A 23 2.680 9.757 -3.266 1.00 0.00 C ATOM 330 O GLY A 23 2.434 10.414 -2.254 1.00 0.00 O ATOM 0 H GLY A 23 4.696 7.779 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.800 9.864 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.356 9.968 -4.601 1.00 0.00 H new ATOM 334 N LYS A 24 1.715 9.308 -4.078 1.00 0.00 N ATOM 335 CA LYS A 24 0.312 9.643 -3.883 1.00 0.00 C ATOM 336 C LYS A 24 -0.152 9.182 -2.504 1.00 0.00 C ATOM 337 O LYS A 24 -0.689 9.957 -1.717 1.00 0.00 O ATOM 338 CB LYS A 24 -0.549 9.013 -4.996 1.00 0.00 C ATOM 339 CG LYS A 24 -1.755 9.888 -5.367 1.00 0.00 C ATOM 340 CD LYS A 24 -1.430 10.710 -6.625 1.00 0.00 C ATOM 341 CE LYS A 24 -2.639 11.540 -7.081 1.00 0.00 C ATOM 342 NZ LYS A 24 -2.418 12.155 -8.407 1.00 0.00 N ATOM 0 H LYS A 24 1.890 8.706 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 24 0.195 10.725 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.066 8.853 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.900 8.034 -4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.630 9.262 -5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.002 10.553 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.588 11.372 -6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.122 10.041 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.523 10.903 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.840 12.321 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.257 12.706 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.590 12.783 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.251 11.409 -9.112 1.00 0.00 H new ATOM 356 N ILE A 25 0.054 7.899 -2.232 1.00 0.00 N ATOM 357 CA ILE A 25 -0.417 7.240 -1.031 1.00 0.00 C ATOM 358 C ILE A 25 0.377 7.727 0.184 1.00 0.00 C ATOM 359 O ILE A 25 -0.191 7.938 1.254 1.00 0.00 O ATOM 360 CB ILE A 25 -0.383 5.715 -1.200 1.00 0.00 C ATOM 361 CG1 ILE A 25 -1.151 5.211 -2.426 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.830 5.013 0.086 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.649 5.398 -2.293 1.00 0.00 C ATOM 0 H ILE A 25 0.566 7.278 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.460 7.506 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 25 0.657 5.452 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.800 5.739 -3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.933 4.154 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.797 3.933 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.163 5.290 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.848 5.316 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.143 5.024 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.009 4.847 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.874 6.457 -2.170 1.00 0.00 H new ATOM 375 N GLY A 26 1.685 7.946 0.025 1.00 0.00 N ATOM 376 CA GLY A 26 2.529 8.509 1.069 1.00 0.00 C ATOM 377 C GLY A 26 1.934 9.783 1.670 1.00 0.00 C ATOM 378 O GLY A 26 2.134 10.060 2.850 1.00 0.00 O ATOM 0 H GLY A 26 2.186 7.735 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.671 7.770 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.514 8.729 0.658 1.00 0.00 H new ATOM 382 N LYS A 27 1.201 10.565 0.872 1.00 0.00 N ATOM 383 CA LYS A 27 0.607 11.807 1.307 1.00 0.00 C ATOM 384 C LYS A 27 -0.607 11.612 2.232 1.00 0.00 C ATOM 385 O LYS A 27 -1.055 12.589 2.832 1.00 0.00 O ATOM 386 CB LYS A 27 0.279 12.619 0.041 1.00 0.00 C ATOM 387 CG LYS A 27 -0.101 14.055 0.390 1.00 0.00 C ATOM 388 CD LYS A 27 -0.009 15.001 -0.818 1.00 0.00 C ATOM 389 CE LYS A 27 0.462 16.385 -0.343 1.00 0.00 C ATOM 390 NZ LYS A 27 0.593 17.351 -1.453 1.00 0.00 N ATOM 0 H LYS A 27 1.008 10.340 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 27 1.312 12.356 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.140 12.620 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.541 12.143 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.117 14.073 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.554 14.418 1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.686 14.601 -1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.980 15.082 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.245 16.773 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.423 16.284 0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.913 18.267 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.287 16.996 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.329 17.470 -1.920 1.00 0.00 H new ATOM 404 N LEU A 28 -1.186 10.410 2.341 1.00 0.00 N ATOM 405 CA LEU A 28 -2.457 10.263 3.025 1.00 0.00 C ATOM 406 C LEU A 28 -2.319 10.398 4.541 1.00 0.00 C ATOM 407 O LEU A 28 -1.396 9.863 5.160 1.00 0.00 O ATOM 408 CB LEU A 28 -3.097 8.916 2.728 1.00 0.00 C ATOM 409 CG LEU A 28 -3.371 8.590 1.249 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.679 7.813 1.153 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.494 9.789 0.297 1.00 0.00 C ATOM 0 H LEU A 28 -0.796 9.544 1.968 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.088 11.068 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.452 8.136 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.042 8.862 3.269 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.492 8.032 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.885 7.575 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.596 6.889 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.492 8.418 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.686 9.432 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.317 10.427 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.566 10.360 0.310 1.00 0.00 H new ATOM 423 N GLN A 29 -3.304 11.063 5.143 1.00 0.00 N ATOM 424 CA GLN A 29 -3.366 11.295 6.574 1.00 0.00 C ATOM 425 C GLN A 29 -3.635 10.004 7.354 1.00 0.00 C ATOM 426 O GLN A 29 -4.757 9.728 7.769 1.00 0.00 O ATOM 427 CB GLN A 29 -4.365 12.421 6.870 1.00 0.00 C ATOM 428 CG GLN A 29 -5.807 12.052 6.491 1.00 0.00 C ATOM 429 CD GLN A 29 -6.621 13.279 6.100 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.579 13.714 4.954 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.368 13.852 7.039 1.00 0.00 N ATOM 0 H GLN A 29 -4.094 11.461 4.634 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.391 11.629 6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.325 12.667 7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.068 13.317 6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.795 11.344 5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.287 11.550 7.331 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.383 13.468 7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.926 14.676 6.815 1.00 0.00 H new ATOM 440 N GLY A 30 -2.592 9.207 7.564 1.00 0.00 N ATOM 441 CA GLY A 30 -2.728 7.936 8.264 1.00 0.00 C ATOM 442 C GLY A 30 -1.601 6.943 8.028 1.00 0.00 C ATOM 443 O GLY A 30 -1.455 5.995 8.804 1.00 0.00 O ATOM 0 H GLY A 30 -1.642 9.420 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.798 8.134 9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.668 7.473 7.963 1.00 0.00 H new ATOM 447 N VAL A 31 -0.833 7.125 6.952 1.00 0.00 N ATOM 448 CA VAL A 31 0.255 6.232 6.608 1.00 0.00 C ATOM 449 C VAL A 31 1.554 6.774 7.202 1.00 0.00 C ATOM 450 O VAL A 31 1.831 7.965 7.087 1.00 0.00 O ATOM 451 CB VAL A 31 0.310 6.107 5.073 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.453 5.205 4.602 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.009 5.543 4.524 1.00 0.00 C ATOM 0 H VAL A 31 -0.955 7.899 6.299 1.00 0.00 H new ATOM 0 HA VAL A 31 0.104 5.235 7.022 1.00 0.00 H new ATOM 0 HB VAL A 31 0.480 7.114 4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.448 5.150 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.404 5.616 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.322 4.205 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.947 5.464 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.188 4.556 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.829 6.209 4.793 1.00 0.00 H new ATOM 463 N GLN A 32 2.343 5.906 7.845 1.00 0.00 N ATOM 464 CA GLN A 32 3.630 6.278 8.423 1.00 0.00 C ATOM 465 C GLN A 32 4.784 5.952 7.476 1.00 0.00 C ATOM 466 O GLN A 32 5.816 6.617 7.494 1.00 0.00 O ATOM 467 CB GLN A 32 3.823 5.603 9.784 1.00 0.00 C ATOM 468 CG GLN A 32 3.812 4.068 9.752 1.00 0.00 C ATOM 469 CD GLN A 32 4.891 3.470 10.644 1.00 0.00 C ATOM 470 OE1 GLN A 32 5.754 2.738 10.169 1.00 0.00 O ATOM 471 NE2 GLN A 32 4.843 3.777 11.935 1.00 0.00 N ATOM 0 H GLN A 32 2.102 4.924 7.977 1.00 0.00 H new ATOM 0 HA GLN A 32 3.631 7.357 8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.771 5.936 10.207 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.036 5.943 10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.835 3.706 10.073 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.958 3.726 8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.107 4.390 12.286 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.542 3.400 12.575 1.00 0.00 H new ATOM 480 N ARG A 33 4.623 4.899 6.674 1.00 0.00 N ATOM 481 CA ARG A 33 5.637 4.403 5.770 1.00 0.00 C ATOM 482 C ARG A 33 4.914 3.684 4.645 1.00 0.00 C ATOM 483 O ARG A 33 3.754 3.296 4.772 1.00 0.00 O ATOM 484 CB ARG A 33 6.598 3.449 6.502 1.00 0.00 C ATOM 485 CG ARG A 33 8.025 4.003 6.560 1.00 0.00 C ATOM 486 CD ARG A 33 8.943 2.953 7.200 1.00 0.00 C ATOM 487 NE ARG A 33 10.322 3.448 7.324 1.00 0.00 N ATOM 488 CZ ARG A 33 11.348 2.723 7.801 1.00 0.00 C ATOM 489 NH1 ARG A 33 11.148 1.457 8.181 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.568 3.267 7.892 1.00 0.00 N ATOM 0 H ARG A 33 3.758 4.360 6.641 1.00 0.00 H new ATOM 0 HA ARG A 33 6.240 5.222 5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.235 3.276 7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.605 2.483 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.375 4.248 5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.047 4.926 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.561 2.686 8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.934 2.045 6.598 1.00 0.00 H new ATOM 0 HE ARG A 33 10.513 4.405 7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.218 1.044 8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.925 0.904 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.719 4.232 7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.346 2.716 8.254 1.00 0.00 H new ATOM 504 N ILE A 34 5.611 3.500 3.536 1.00 0.00 N ATOM 505 CA ILE A 34 5.099 2.877 2.355 1.00 0.00 C ATOM 506 C ILE A 34 6.334 2.355 1.639 1.00 0.00 C ATOM 507 O ILE A 34 7.373 3.020 1.653 1.00 0.00 O ATOM 508 CB ILE A 34 4.279 3.902 1.558 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.776 3.224 0.286 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.043 5.196 1.228 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.562 3.940 -0.304 1.00 0.00 C ATOM 0 H ILE A 34 6.583 3.796 3.443 1.00 0.00 H new ATOM 0 HA ILE A 34 4.408 2.053 2.533 1.00 0.00 H new ATOM 0 HB ILE A 34 3.447 4.223 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.577 3.200 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.515 2.189 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.395 5.867 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.352 5.682 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.924 4.957 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.238 3.423 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.751 3.941 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.830 4.968 -0.550 1.00 0.00 H new ATOM 523 N LYS A 35 6.249 1.141 1.109 1.00 0.00 N ATOM 524 CA LYS A 35 7.272 0.538 0.294 1.00 0.00 C ATOM 525 C LYS A 35 6.641 -0.195 -0.883 1.00 0.00 C ATOM 526 O LYS A 35 5.491 -0.612 -0.797 1.00 0.00 O ATOM 527 CB LYS A 35 8.221 -0.323 1.141 1.00 0.00 C ATOM 528 CG LYS A 35 9.367 0.460 1.800 1.00 0.00 C ATOM 529 CD LYS A 35 10.332 1.071 0.771 1.00 0.00 C ATOM 530 CE LYS A 35 11.441 1.870 1.461 1.00 0.00 C ATOM 531 NZ LYS A 35 12.203 2.674 0.483 1.00 0.00 N ATOM 0 H LYS A 35 5.437 0.538 1.244 1.00 0.00 H new ATOM 0 HA LYS A 35 7.904 1.315 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.643 -0.822 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.646 -1.103 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.951 1.255 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.921 -0.204 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.773 0.279 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.780 1.721 0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.006 2.526 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.115 1.189 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.948 3.206 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.636 2.044 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.562 3.339 0.005 1.00 0.00 H new ATOM 545 N VAL A 36 7.366 -0.334 -1.992 1.00 0.00 N ATOM 546 CA VAL A 36 6.895 -1.090 -3.138 1.00 0.00 C ATOM 547 C VAL A 36 8.053 -1.922 -3.686 1.00 0.00 C ATOM 548 O VAL A 36 9.027 -1.392 -4.213 1.00 0.00 O ATOM 549 CB VAL A 36 6.223 -0.167 -4.167 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.844 -0.968 -5.421 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.934 0.461 -3.617 1.00 0.00 C ATOM 0 H VAL A 36 8.292 0.075 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 36 6.111 -1.790 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 36 6.940 0.621 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.368 -0.307 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.742 -1.402 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.152 -1.765 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.491 1.106 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.229 -0.327 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.166 1.051 -2.730 1.00 0.00 H new ATOM 561 N SER A 37 7.944 -3.242 -3.540 1.00 0.00 N ATOM 562 CA SER A 37 8.880 -4.212 -4.068 1.00 0.00 C ATOM 563 C SER A 37 8.430 -4.541 -5.487 1.00 0.00 C ATOM 564 O SER A 37 7.929 -5.641 -5.742 1.00 0.00 O ATOM 565 CB SER A 37 8.894 -5.444 -3.167 1.00 0.00 C ATOM 566 OG SER A 37 9.059 -5.079 -1.809 1.00 0.00 O ATOM 0 H SER A 37 7.171 -3.672 -3.032 1.00 0.00 H new ATOM 0 HA SER A 37 9.899 -3.826 -4.095 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.963 -5.998 -3.288 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.702 -6.110 -3.469 1.00 0.00 H new ATOM 0 HG SER A 37 9.063 -5.885 -1.252 1.00 0.00 H new ATOM 572 N LEU A 38 8.575 -3.567 -6.394 1.00 0.00 N ATOM 573 CA LEU A 38 8.177 -3.722 -7.789 1.00 0.00 C ATOM 574 C LEU A 38 8.717 -5.035 -8.361 1.00 0.00 C ATOM 575 O LEU A 38 8.005 -5.770 -9.041 1.00 0.00 O ATOM 576 CB LEU A 38 8.570 -2.522 -8.658 1.00 0.00 C ATOM 577 CG LEU A 38 10.034 -2.068 -8.597 1.00 0.00 C ATOM 578 CD1 LEU A 38 10.402 -1.405 -9.927 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.279 -1.119 -7.416 1.00 0.00 C ATOM 0 H LEU A 38 8.971 -2.653 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 38 7.088 -3.761 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.333 -2.762 -9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.941 -1.678 -8.374 1.00 0.00 H new ATOM 0 HG LEU A 38 10.672 -2.937 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.441 -1.078 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.271 -2.121 -10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.756 -0.544 -10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.326 -0.817 -7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.648 -0.236 -7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.037 -1.629 -6.483 1.00 0.00 H new ATOM 591 N ASP A 39 9.974 -5.336 -8.032 1.00 0.00 N ATOM 592 CA ASP A 39 10.730 -6.497 -8.465 1.00 0.00 C ATOM 593 C ASP A 39 9.902 -7.760 -8.352 1.00 0.00 C ATOM 594 O ASP A 39 9.737 -8.500 -9.319 1.00 0.00 O ATOM 595 CB ASP A 39 11.973 -6.688 -7.577 1.00 0.00 C ATOM 596 CG ASP A 39 12.747 -5.405 -7.300 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.110 -4.489 -6.729 1.00 0.00 O ATOM 598 OD2 ASP A 39 13.945 -5.370 -7.647 1.00 0.00 O ATOM 0 H ASP A 39 10.520 -4.733 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 39 11.014 -6.324 -9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.663 -7.124 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.640 -7.405 -8.055 1.00 0.00 H new ATOM 603 N ASN A 40 9.410 -8.006 -7.135 1.00 0.00 N ATOM 604 CA ASN A 40 8.683 -9.218 -6.819 1.00 0.00 C ATOM 605 C ASN A 40 7.176 -8.954 -6.867 1.00 0.00 C ATOM 606 O ASN A 40 6.401 -9.660 -6.225 1.00 0.00 O ATOM 607 CB ASN A 40 9.137 -9.786 -5.476 1.00 0.00 C ATOM 608 CG ASN A 40 8.697 -11.237 -5.286 1.00 0.00 C ATOM 609 OD1 ASN A 40 8.764 -12.047 -6.206 1.00 0.00 O ATOM 610 ND2 ASN A 40 8.276 -11.608 -4.079 1.00 0.00 N ATOM 0 H ASN A 40 9.509 -7.365 -6.348 1.00 0.00 H new ATOM 0 HA ASN A 40 8.904 -9.977 -7.569 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.223 -9.725 -5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.731 -9.176 -4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.004 -12.576 -3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.225 -10.924 -3.324 1.00 0.00 H new ATOM 617 N GLN A 41 6.777 -7.905 -7.598 1.00 0.00 N ATOM 618 CA GLN A 41 5.414 -7.448 -7.786 1.00 0.00 C ATOM 619 C GLN A 41 4.606 -7.431 -6.478 1.00 0.00 C ATOM 620 O GLN A 41 3.506 -7.978 -6.373 1.00 0.00 O ATOM 621 CB GLN A 41 4.798 -8.214 -8.977 1.00 0.00 C ATOM 622 CG GLN A 41 4.696 -7.311 -10.213 1.00 0.00 C ATOM 623 CD GLN A 41 4.614 -8.096 -11.523 1.00 0.00 C ATOM 624 OE1 GLN A 41 5.515 -8.004 -12.354 1.00 0.00 O ATOM 625 NE2 GLN A 41 3.560 -8.873 -11.764 1.00 0.00 N ATOM 0 H GLN A 41 7.447 -7.324 -8.101 1.00 0.00 H new ATOM 0 HA GLN A 41 5.393 -6.394 -8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.409 -9.087 -9.208 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.808 -8.580 -8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.815 -6.677 -10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.562 -6.650 -10.246 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.813 -8.948 -11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.499 -9.393 -12.639 1.00 0.00 H new ATOM 634 N GLU A 42 5.159 -6.749 -5.469 1.00 0.00 N ATOM 635 CA GLU A 42 4.532 -6.619 -4.155 1.00 0.00 C ATOM 636 C GLU A 42 4.619 -5.174 -3.662 1.00 0.00 C ATOM 637 O GLU A 42 5.579 -4.467 -3.960 1.00 0.00 O ATOM 638 CB GLU A 42 5.146 -7.617 -3.157 1.00 0.00 C ATOM 639 CG GLU A 42 4.156 -7.970 -2.037 1.00 0.00 C ATOM 640 CD GLU A 42 4.754 -8.904 -0.998 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.816 -8.559 -0.441 1.00 0.00 O ATOM 642 OE2 GLU A 42 4.119 -9.954 -0.750 1.00 0.00 O ATOM 0 H GLU A 42 6.057 -6.271 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 42 3.474 -6.867 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.441 -8.525 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.051 -7.191 -2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.825 -7.054 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.272 -8.436 -2.473 1.00 0.00 H new ATOM 649 N ALA A 43 3.612 -4.742 -2.901 1.00 0.00 N ATOM 650 CA ALA A 43 3.489 -3.428 -2.303 1.00 0.00 C ATOM 651 C ALA A 43 3.271 -3.568 -0.795 1.00 0.00 C ATOM 652 O ALA A 43 2.720 -4.562 -0.321 1.00 0.00 O ATOM 653 CB ALA A 43 2.373 -2.643 -2.997 1.00 0.00 C ATOM 0 H ALA A 43 2.818 -5.342 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 43 4.409 -2.860 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.286 -1.656 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.608 -2.536 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.430 -3.178 -2.887 1.00 0.00 H new ATOM 659 N THR A 44 3.765 -2.575 -0.054 1.00 0.00 N ATOM 660 CA THR A 44 3.863 -2.490 1.390 1.00 0.00 C ATOM 661 C THR A 44 3.261 -1.152 1.801 1.00 0.00 C ATOM 662 O THR A 44 3.791 -0.114 1.422 1.00 0.00 O ATOM 663 CB THR A 44 5.353 -2.529 1.766 1.00 0.00 C ATOM 664 OG1 THR A 44 5.893 -3.773 1.365 1.00 0.00 O ATOM 665 CG2 THR A 44 5.534 -2.409 3.279 1.00 0.00 C ATOM 0 H THR A 44 4.139 -1.736 -0.498 1.00 0.00 H new ATOM 0 HA THR A 44 3.341 -3.308 1.886 1.00 0.00 H new ATOM 0 HB THR A 44 5.856 -1.698 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.844 -3.807 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.596 -2.439 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.110 -1.466 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.025 -3.237 3.773 1.00 0.00 H new ATOM 673 N ILE A 45 2.174 -1.143 2.565 1.00 0.00 N ATOM 674 CA ILE A 45 1.505 0.090 2.954 1.00 0.00 C ATOM 675 C ILE A 45 1.471 0.093 4.479 1.00 0.00 C ATOM 676 O ILE A 45 0.811 -0.765 5.065 1.00 0.00 O ATOM 677 CB ILE A 45 0.113 0.130 2.302 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.138 -0.098 0.777 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.614 1.430 2.644 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.616 1.106 -0.023 1.00 0.00 C ATOM 0 H ILE A 45 1.734 -1.988 2.930 1.00 0.00 H new ATOM 0 HA ILE A 45 2.019 0.990 2.615 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.440 -0.709 2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.786 -0.947 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.864 -0.367 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.596 1.433 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.732 1.507 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.033 2.278 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.604 0.864 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.045 1.953 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.631 1.364 0.279 1.00 0.00 H new ATOM 692 N VAL A 46 2.237 0.979 5.128 1.00 0.00 N ATOM 693 CA VAL A 46 2.407 0.926 6.578 1.00 0.00 C ATOM 694 C VAL A 46 1.503 1.969 7.228 1.00 0.00 C ATOM 695 O VAL A 46 1.870 3.145 7.322 1.00 0.00 O ATOM 696 CB VAL A 46 3.885 1.069 6.980 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.074 0.555 8.411 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.788 0.271 6.032 1.00 0.00 C ATOM 0 H VAL A 46 2.745 1.736 4.671 1.00 0.00 H new ATOM 0 HA VAL A 46 2.103 -0.054 6.946 1.00 0.00 H new ATOM 0 HB VAL A 46 4.161 2.122 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.121 0.655 8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.453 1.138 9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.783 -0.494 8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.828 0.388 6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.515 -0.783 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.664 0.641 5.014 1.00 0.00 H new ATOM 708 N TYR A 47 0.306 1.539 7.641 1.00 0.00 N ATOM 709 CA TYR A 47 -0.750 2.436 8.088 1.00 0.00 C ATOM 710 C TYR A 47 -1.027 2.296 9.577 1.00 0.00 C ATOM 711 O TYR A 47 -0.552 1.367 10.232 1.00 0.00 O ATOM 712 CB TYR A 47 -2.012 2.282 7.226 1.00 0.00 C ATOM 713 CG TYR A 47 -3.018 1.237 7.681 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.853 -0.113 7.322 1.00 0.00 C ATOM 715 CD2 TYR A 47 -4.165 1.628 8.399 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.853 -1.051 7.643 1.00 0.00 C ATOM 717 CE2 TYR A 47 -5.162 0.689 8.709 1.00 0.00 C ATOM 718 CZ TYR A 47 -5.005 -0.651 8.331 1.00 0.00 C ATOM 719 OH TYR A 47 -5.968 -1.567 8.637 1.00 0.00 O ATOM 0 H TYR A 47 0.047 0.553 7.672 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.398 3.458 7.948 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.517 3.247 7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.704 2.039 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.961 -0.429 6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.278 2.655 8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.731 -2.085 7.357 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.050 1.000 9.239 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.700 -1.125 9.116 1.00 0.00 H new ATOM 729 N GLN A 48 -1.793 3.253 10.103 1.00 0.00 N ATOM 730 CA GLN A 48 -2.169 3.312 11.499 1.00 0.00 C ATOM 731 C GLN A 48 -3.669 3.010 11.644 1.00 0.00 C ATOM 732 O GLN A 48 -4.486 3.804 11.164 1.00 0.00 O ATOM 733 CB GLN A 48 -1.799 4.704 12.012 1.00 0.00 C ATOM 734 CG GLN A 48 -1.945 4.733 13.542 1.00 0.00 C ATOM 735 CD GLN A 48 -1.238 5.922 14.175 1.00 0.00 C ATOM 736 OE1 GLN A 48 -1.856 6.940 14.464 1.00 0.00 O ATOM 737 NE2 GLN A 48 0.062 5.794 14.427 1.00 0.00 N ATOM 0 H GLN A 48 -2.173 4.021 9.550 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.643 2.565 12.093 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.776 4.950 11.727 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.445 5.456 11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.003 4.764 13.802 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.541 3.811 13.959 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.548 4.934 14.174 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.573 6.556 14.873 1.00 0.00 H new ATOM 746 N PRO A 49 -4.054 1.884 12.278 1.00 0.00 N ATOM 747 CA PRO A 49 -5.438 1.433 12.344 1.00 0.00 C ATOM 748 C PRO A 49 -6.257 2.301 13.301 1.00 0.00 C ATOM 749 O PRO A 49 -6.554 1.906 14.425 1.00 0.00 O ATOM 750 CB PRO A 49 -5.373 -0.039 12.763 1.00 0.00 C ATOM 751 CG PRO A 49 -4.106 -0.091 13.612 1.00 0.00 C ATOM 752 CD PRO A 49 -3.182 0.898 12.901 1.00 0.00 C ATOM 0 HA PRO A 49 -5.950 1.527 11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.254 -0.337 13.332 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.310 -0.703 11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.298 0.204 14.644 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.680 -1.094 13.642 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.499 1.371 13.607 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.569 0.392 12.155 1.00 0.00 H new ATOM 760 N HIS A 50 -6.614 3.487 12.811 1.00 0.00 N ATOM 761 CA HIS A 50 -7.473 4.489 13.425 1.00 0.00 C ATOM 762 C HIS A 50 -7.629 5.644 12.438 1.00 0.00 C ATOM 763 O HIS A 50 -8.729 6.156 12.257 1.00 0.00 O ATOM 764 CB HIS A 50 -6.904 5.002 14.760 1.00 0.00 C ATOM 765 CG HIS A 50 -7.470 4.312 15.977 1.00 0.00 C ATOM 766 ND1 HIS A 50 -6.786 3.487 16.840 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.757 4.411 16.436 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.646 3.097 17.796 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.859 3.637 17.596 1.00 0.00 N ATOM 0 H HIS A 50 -6.280 3.794 11.897 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.439 4.037 13.651 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.821 4.875 14.754 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.099 6.072 14.839 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.552 4.985 15.982 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.395 2.438 18.614 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.689 3.508 18.175 1.00 0.00 H new ATOM 777 N LEU A 51 -6.524 6.064 11.810 1.00 0.00 N ATOM 778 CA LEU A 51 -6.539 7.230 10.939 1.00 0.00 C ATOM 779 C LEU A 51 -7.161 6.902 9.580 1.00 0.00 C ATOM 780 O LEU A 51 -8.012 7.642 9.093 1.00 0.00 O ATOM 781 CB LEU A 51 -5.132 7.802 10.793 1.00 0.00 C ATOM 782 CG LEU A 51 -4.555 8.315 12.128 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.066 8.648 11.977 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.272 9.576 12.631 1.00 0.00 C ATOM 0 H LEU A 51 -5.614 5.611 11.893 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.166 7.994 11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.473 7.034 10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.150 8.619 10.072 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.703 7.513 12.851 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.675 9.008 12.929 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.522 7.753 11.677 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.941 9.420 11.218 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.828 9.896 13.574 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.169 10.372 11.893 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.329 9.357 12.784 1.00 0.00 H new ATOM 796 N ILE A 52 -6.717 5.803 8.963 1.00 0.00 N ATOM 797 CA ILE A 52 -7.107 5.366 7.637 1.00 0.00 C ATOM 798 C ILE A 52 -7.361 3.851 7.683 1.00 0.00 C ATOM 799 O ILE A 52 -7.170 3.239 8.733 1.00 0.00 O ATOM 800 CB ILE A 52 -5.990 5.806 6.668 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.583 6.451 5.421 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.984 4.709 6.302 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.737 7.966 5.590 1.00 0.00 C ATOM 0 H ILE A 52 -6.046 5.172 9.401 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.035 5.814 7.282 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.406 6.545 7.217 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.943 6.243 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.556 6.007 5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.238 5.113 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.491 4.351 7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.507 3.882 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.163 8.392 4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.398 8.173 6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.760 8.412 5.777 1.00 0.00 H new ATOM 815 N SER A 53 -7.805 3.240 6.576 1.00 0.00 N ATOM 816 CA SER A 53 -8.211 1.839 6.536 1.00 0.00 C ATOM 817 C SER A 53 -7.798 1.172 5.220 1.00 0.00 C ATOM 818 O SER A 53 -7.535 1.851 4.226 1.00 0.00 O ATOM 819 CB SER A 53 -9.729 1.774 6.731 1.00 0.00 C ATOM 820 OG SER A 53 -10.370 2.486 5.689 1.00 0.00 O ATOM 0 H SER A 53 -7.891 3.714 5.677 1.00 0.00 H new ATOM 0 HA SER A 53 -7.709 1.292 7.334 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.062 0.736 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.001 2.199 7.697 1.00 0.00 H new ATOM 0 HG SER A 53 -11.341 2.443 5.813 1.00 0.00 H new ATOM 826 N VAL A 54 -7.778 -0.171 5.219 1.00 0.00 N ATOM 827 CA VAL A 54 -7.510 -1.015 4.054 1.00 0.00 C ATOM 828 C VAL A 54 -8.255 -0.523 2.819 1.00 0.00 C ATOM 829 O VAL A 54 -7.701 -0.521 1.720 1.00 0.00 O ATOM 830 CB VAL A 54 -7.909 -2.476 4.346 1.00 0.00 C ATOM 831 CG1 VAL A 54 -8.050 -3.316 3.066 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.854 -3.169 5.206 1.00 0.00 C ATOM 0 H VAL A 54 -7.955 -0.714 6.064 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.440 -0.960 3.853 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.869 -2.417 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.332 -4.335 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.819 -2.880 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.100 -3.329 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.159 -4.198 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.898 -3.166 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.751 -2.639 6.153 1.00 0.00 H new ATOM 842 N GLU A 55 -9.539 -0.197 2.981 1.00 0.00 N ATOM 843 CA GLU A 55 -10.365 0.134 1.841 1.00 0.00 C ATOM 844 C GLU A 55 -9.774 1.345 1.135 1.00 0.00 C ATOM 845 O GLU A 55 -9.404 1.192 -0.013 1.00 0.00 O ATOM 846 CB GLU A 55 -11.840 0.240 2.230 1.00 0.00 C ATOM 847 CG GLU A 55 -12.810 -0.117 1.090 1.00 0.00 C ATOM 848 CD GLU A 55 -13.332 1.080 0.309 1.00 0.00 C ATOM 849 OE1 GLU A 55 -12.577 2.064 0.187 1.00 0.00 O ATOM 850 OE2 GLU A 55 -14.463 0.956 -0.207 1.00 0.00 O ATOM 0 H GLU A 55 -10.015 -0.158 3.882 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.359 -0.673 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.031 -0.419 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.046 1.257 2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.306 -0.794 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.658 -0.660 1.508 1.00 0.00 H new ATOM 857 N GLU A 56 -9.552 2.465 1.829 1.00 0.00 N ATOM 858 CA GLU A 56 -8.858 3.638 1.325 1.00 0.00 C ATOM 859 C GLU A 56 -7.573 3.231 0.612 1.00 0.00 C ATOM 860 O GLU A 56 -7.412 3.561 -0.560 1.00 0.00 O ATOM 861 CB GLU A 56 -8.595 4.635 2.470 1.00 0.00 C ATOM 862 CG GLU A 56 -9.403 5.926 2.281 1.00 0.00 C ATOM 863 CD GLU A 56 -8.852 6.749 1.124 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.676 7.150 1.233 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.585 6.948 0.132 1.00 0.00 O ATOM 0 H GLU A 56 -9.865 2.577 2.793 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.489 4.141 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.857 4.175 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.532 4.872 2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.448 5.681 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.374 6.515 3.198 1.00 0.00 H new ATOM 872 N MET A 57 -6.674 2.487 1.274 1.00 0.00 N ATOM 873 CA MET A 57 -5.476 1.994 0.628 1.00 0.00 C ATOM 874 C MET A 57 -5.783 1.381 -0.748 1.00 0.00 C ATOM 875 O MET A 57 -5.250 1.822 -1.765 1.00 0.00 O ATOM 876 CB MET A 57 -4.735 1.035 1.536 1.00 0.00 C ATOM 877 CG MET A 57 -4.386 1.589 2.919 1.00 0.00 C ATOM 878 SD MET A 57 -3.408 3.108 3.111 1.00 0.00 S ATOM 879 CE MET A 57 -4.631 4.407 2.862 1.00 0.00 C ATOM 0 H MET A 57 -6.765 2.221 2.254 1.00 0.00 H new ATOM 0 HA MET A 57 -4.816 2.842 0.443 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.341 0.138 1.663 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.813 0.729 1.041 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.328 1.750 3.443 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.855 0.800 3.452 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.288 5.326 3.338 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.766 4.580 1.794 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.580 4.103 3.303 1.00 0.00 H new ATOM 889 N LYS A 58 -6.669 0.382 -0.799 1.00 0.00 N ATOM 890 CA LYS A 58 -7.041 -0.235 -2.064 1.00 0.00 C ATOM 891 C LYS A 58 -7.716 0.746 -3.004 1.00 0.00 C ATOM 892 O LYS A 58 -7.201 0.950 -4.085 1.00 0.00 O ATOM 893 CB LYS A 58 -7.850 -1.515 -1.857 1.00 0.00 C ATOM 894 CG LYS A 58 -8.696 -1.966 -3.061 1.00 0.00 C ATOM 895 CD LYS A 58 -9.381 -3.322 -2.834 1.00 0.00 C ATOM 896 CE LYS A 58 -10.804 -3.182 -2.276 1.00 0.00 C ATOM 897 NZ LYS A 58 -10.837 -2.483 -0.977 1.00 0.00 N ATOM 0 H LYS A 58 -7.136 -0.011 0.018 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.117 -0.534 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.163 -2.320 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.512 -1.372 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.455 -1.211 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.059 -2.029 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.417 -3.868 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.782 -3.916 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.420 -2.639 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.245 -4.172 -2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.742 -2.675 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.055 -2.821 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.738 -1.459 -1.131 1.00 0.00 H new ATOM 911 N LYS A 59 -8.861 1.315 -2.642 1.00 0.00 N ATOM 912 CA LYS A 59 -9.625 2.257 -3.426 1.00 0.00 C ATOM 913 C LYS A 59 -8.671 3.226 -4.112 1.00 0.00 C ATOM 914 O LYS A 59 -8.709 3.362 -5.328 1.00 0.00 O ATOM 915 CB LYS A 59 -10.595 2.987 -2.487 1.00 0.00 C ATOM 916 CG LYS A 59 -11.982 3.229 -3.085 1.00 0.00 C ATOM 917 CD LYS A 59 -12.756 1.903 -3.203 1.00 0.00 C ATOM 918 CE LYS A 59 -14.253 2.078 -2.922 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.953 2.820 -3.984 1.00 0.00 N ATOM 0 H LYS A 59 -9.298 1.115 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.201 1.751 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.703 2.406 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.160 3.946 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.538 3.927 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.886 3.690 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.622 1.494 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.339 1.178 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.713 1.097 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.381 2.602 -1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.960 2.908 -3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.536 3.768 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.858 2.309 -4.885 1.00 0.00 H new ATOM 933 N GLN A 60 -7.776 3.843 -3.339 1.00 0.00 N ATOM 934 CA GLN A 60 -6.806 4.773 -3.897 1.00 0.00 C ATOM 935 C GLN A 60 -5.872 4.086 -4.905 1.00 0.00 C ATOM 936 O GLN A 60 -5.636 4.617 -5.988 1.00 0.00 O ATOM 937 CB GLN A 60 -6.017 5.405 -2.758 1.00 0.00 C ATOM 938 CG GLN A 60 -6.921 6.247 -1.842 1.00 0.00 C ATOM 939 CD GLN A 60 -7.261 7.626 -2.399 1.00 0.00 C ATOM 940 OE1 GLN A 60 -6.605 8.128 -3.309 1.00 0.00 O ATOM 941 NE2 GLN A 60 -8.299 8.254 -1.862 1.00 0.00 N ATOM 0 H GLN A 60 -7.706 3.713 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.337 5.550 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.532 4.623 -2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.226 6.034 -3.167 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.847 5.701 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.430 6.368 -0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.826 7.815 -1.108 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.570 9.176 -2.204 1.00 0.00 H new ATOM 950 N ILE A 61 -5.317 2.921 -4.555 1.00 0.00 N ATOM 951 CA ILE A 61 -4.416 2.183 -5.435 1.00 0.00 C ATOM 952 C ILE A 61 -5.167 1.617 -6.643 1.00 0.00 C ATOM 953 O ILE A 61 -4.892 2.026 -7.769 1.00 0.00 O ATOM 954 CB ILE A 61 -3.633 1.129 -4.639 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.718 1.904 -3.674 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.818 0.234 -5.588 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.821 1.006 -2.831 1.00 0.00 C ATOM 0 H ILE A 61 -5.481 2.468 -3.656 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.674 2.867 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.301 0.468 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.095 2.589 -4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.334 2.512 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.269 -0.507 -5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.492 -0.273 -6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.114 0.847 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.204 1.620 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.437 0.338 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.179 0.416 -3.485 1.00 0.00 H new ATOM 969 N GLU A 62 -6.107 0.691 -6.439 1.00 0.00 N ATOM 970 CA GLU A 62 -6.969 0.177 -7.484 1.00 0.00 C ATOM 971 C GLU A 62 -7.518 1.282 -8.395 1.00 0.00 C ATOM 972 O GLU A 62 -7.563 1.082 -9.606 1.00 0.00 O ATOM 973 CB GLU A 62 -8.103 -0.624 -6.820 1.00 0.00 C ATOM 974 CG GLU A 62 -8.161 -2.066 -7.321 1.00 0.00 C ATOM 975 CD GLU A 62 -9.305 -2.854 -6.687 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.971 -2.292 -5.788 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.473 -4.022 -7.091 1.00 0.00 O ATOM 0 H GLU A 62 -6.286 0.276 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.385 -0.471 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.962 -0.622 -5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.056 -0.134 -7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.279 -2.067 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.216 -2.563 -7.102 1.00 0.00 H new ATOM 984 N ALA A 63 -7.906 2.448 -7.854 1.00 0.00 N ATOM 985 CA ALA A 63 -8.406 3.547 -8.682 1.00 0.00 C ATOM 986 C ALA A 63 -7.432 3.945 -9.793 1.00 0.00 C ATOM 987 O ALA A 63 -7.872 4.370 -10.860 1.00 0.00 O ATOM 988 CB ALA A 63 -8.724 4.775 -7.831 1.00 0.00 C ATOM 0 H ALA A 63 -7.882 2.649 -6.854 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.317 3.176 -9.151 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.093 5.576 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.485 4.520 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.821 5.107 -7.319 1.00 0.00 H new ATOM 994 N MET A 64 -6.121 3.826 -9.561 1.00 0.00 N ATOM 995 CA MET A 64 -5.131 4.052 -10.598 1.00 0.00 C ATOM 996 C MET A 64 -5.380 3.114 -11.784 1.00 0.00 C ATOM 997 O MET A 64 -5.263 3.524 -12.936 1.00 0.00 O ATOM 998 CB MET A 64 -3.732 3.819 -10.037 1.00 0.00 C ATOM 999 CG MET A 64 -3.360 4.710 -8.849 1.00 0.00 C ATOM 1000 SD MET A 64 -3.460 6.495 -9.120 1.00 0.00 S ATOM 1001 CE MET A 64 -2.701 7.073 -7.586 1.00 0.00 C ATOM 0 H MET A 64 -5.727 3.572 -8.655 1.00 0.00 H new ATOM 0 HA MET A 64 -5.212 5.083 -10.943 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.647 2.776 -9.731 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.005 3.978 -10.834 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.011 4.454 -8.013 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.342 4.467 -8.545 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.630 8.161 -7.603 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.312 6.762 -6.738 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.703 6.645 -7.490 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.705 1.850 -11.489 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.055 0.834 -12.473 1.00 0.00 C ATOM 1013 C GLY A 65 -5.458 -0.521 -12.100 1.00 0.00 C ATOM 1014 O GLY A 65 -5.887 -1.555 -12.606 1.00 0.00 O ATOM 0 H GLY A 65 -5.731 1.502 -10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.139 0.750 -12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.694 1.136 -13.456 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.442 -0.522 -11.235 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.661 -1.705 -10.926 1.00 0.00 C ATOM 1020 C PHE A 66 -4.434 -2.605 -9.959 1.00 0.00 C ATOM 1021 O PHE A 66 -4.708 -2.165 -8.843 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.357 -1.253 -10.272 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.577 -0.243 -11.087 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.999 -0.602 -12.319 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.510 1.088 -10.646 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.386 0.381 -13.116 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.889 2.067 -11.434 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.360 1.718 -12.685 1.00 0.00 C ATOM 0 H PHE A 66 -4.141 0.310 -10.728 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.457 -2.268 -11.837 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.582 -0.821 -9.297 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.729 -2.126 -10.097 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.026 -1.629 -12.651 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.940 1.360 -9.693 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.065 0.108 -14.059 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.818 3.085 -11.080 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.069 2.480 -13.319 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.764 -3.853 -10.321 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.372 -4.770 -9.374 1.00 0.00 C ATOM 1040 C PRO A 67 -4.355 -5.082 -8.277 1.00 0.00 C ATOM 1041 O PRO A 67 -3.155 -5.151 -8.554 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.726 -6.014 -10.190 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.676 -6.021 -11.300 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.434 -4.533 -11.565 1.00 0.00 C ATOM 0 HA PRO A 67 -6.260 -4.368 -8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.676 -6.919 -9.585 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.737 -5.955 -10.594 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.763 -6.528 -10.987 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.036 -6.535 -12.191 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.398 -4.349 -11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.057 -4.175 -12.384 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.823 -5.272 -7.037 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.948 -5.617 -5.931 1.00 0.00 C ATOM 1054 C ALA A 68 -4.619 -6.587 -4.966 1.00 0.00 C ATOM 1055 O ALA A 68 -5.769 -6.389 -4.579 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.502 -4.362 -5.184 1.00 0.00 C ATOM 0 H ALA A 68 -5.808 -5.190 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.072 -6.110 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.847 -4.643 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.964 -3.704 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.376 -3.842 -4.792 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.877 -7.609 -4.536 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.330 -8.563 -3.536 1.00 0.00 C ATOM 1064 C PHE A 69 -3.746 -8.174 -2.189 1.00 0.00 C ATOM 1065 O PHE A 69 -2.727 -8.729 -1.778 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.952 -9.987 -3.927 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.833 -10.596 -4.996 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -6.068 -11.169 -4.637 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.449 -10.544 -6.348 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.902 -11.717 -5.627 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.285 -11.093 -7.336 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.508 -11.685 -6.975 1.00 0.00 C ATOM 0 H PHE A 69 -2.935 -7.795 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.418 -8.537 -3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.920 -9.993 -4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.991 -10.617 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.374 -11.187 -3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.513 -10.083 -6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.846 -12.163 -5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.987 -11.060 -8.374 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.145 -12.115 -7.734 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.410 -7.228 -1.524 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.123 -6.806 -0.161 1.00 0.00 C ATOM 1084 C VAL A 70 -4.509 -7.906 0.832 1.00 0.00 C ATOM 1085 O VAL A 70 -5.696 -8.129 1.059 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.720 -5.421 0.126 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.172 -5.277 -0.310 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.557 -5.035 1.591 1.00 0.00 C ATOM 0 H VAL A 70 -5.190 -6.719 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.049 -6.670 -0.031 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.146 -4.726 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.525 -4.273 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.248 -5.446 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.784 -6.009 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.991 -4.049 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.066 -5.766 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.497 -5.013 1.846 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.528 -8.621 1.401 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.799 -9.748 2.282 1.00 0.00 C ATOM 1100 C LYS A 71 -2.668 -10.055 3.277 1.00 0.00 C ATOM 1101 O LYS A 71 -2.167 -11.177 3.346 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.288 -10.950 1.479 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.245 -11.422 0.483 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.869 -12.459 -0.463 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.802 -13.145 -1.327 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.398 -14.025 -2.358 1.00 0.00 N ATOM 0 H LYS A 71 -2.536 -8.431 1.261 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.617 -9.458 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.537 -11.765 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.203 -10.686 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.864 -10.576 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.396 -11.859 1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.404 -13.209 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.602 -11.972 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.186 -12.387 -1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.142 -13.732 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.641 -14.467 -2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.965 -14.765 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.008 -13.462 -2.985 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.323 -9.079 4.115 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.608 -9.285 5.369 1.00 0.00 C ATOM 1122 C LYS A 72 -1.985 -8.127 6.281 1.00 0.00 C ATOM 1123 O LYS A 72 -2.300 -7.054 5.779 1.00 0.00 O ATOM 1124 CB LYS A 72 -0.087 -9.253 5.180 1.00 0.00 C ATOM 1125 CG LYS A 72 0.551 -10.589 4.779 1.00 0.00 C ATOM 1126 CD LYS A 72 2.064 -10.488 5.041 1.00 0.00 C ATOM 1127 CE LYS A 72 2.844 -11.784 4.802 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.758 -12.695 5.958 1.00 0.00 N ATOM 0 H LYS A 72 -2.539 -8.099 3.934 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.876 -10.260 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.153 -8.511 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.371 -8.915 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.118 -11.407 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.359 -10.803 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.478 -9.708 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.220 -10.171 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.455 -12.284 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.889 -11.548 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.476 -13.442 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.925 -12.161 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.812 -13.126 5.991 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.913 -8.336 7.595 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.907 -7.277 8.591 1.00 0.00 C ATOM 1144 C ILE A 73 -0.755 -7.642 9.527 1.00 0.00 C ATOM 1145 O ILE A 73 -0.966 -8.250 10.574 1.00 0.00 O ATOM 1146 CB ILE A 73 -3.276 -7.170 9.298 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -4.398 -6.775 8.316 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.232 -6.092 10.395 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -5.133 -7.974 7.704 1.00 0.00 C ATOM 0 H ILE A 73 -1.856 -9.270 8.001 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.756 -6.285 8.166 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.484 -8.153 9.721 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.119 -6.145 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.971 -6.174 7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.205 -6.030 10.883 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.472 -6.353 11.132 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.988 -5.128 9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.907 -7.618 7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.424 -8.593 7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.590 -8.564 8.498 1.00 0.00 H new ATOM 1161 N GLU A 74 0.477 -7.356 9.097 1.00 0.00 N ATOM 1162 CA GLU A 74 1.679 -7.713 9.843 1.00 0.00 C ATOM 1163 C GLU A 74 2.022 -6.513 10.726 1.00 0.00 C ATOM 1164 O GLU A 74 2.292 -5.435 10.211 1.00 0.00 O ATOM 1165 CB GLU A 74 2.804 -8.092 8.856 1.00 0.00 C ATOM 1166 CG GLU A 74 3.503 -9.411 9.215 1.00 0.00 C ATOM 1167 CD GLU A 74 4.283 -9.963 8.028 1.00 0.00 C ATOM 1168 OE1 GLU A 74 5.117 -9.220 7.466 1.00 0.00 O ATOM 1169 OE2 GLU A 74 3.976 -11.111 7.640 1.00 0.00 O ATOM 0 H GLU A 74 0.665 -6.870 8.220 1.00 0.00 H new ATOM 0 HA GLU A 74 1.535 -8.585 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.387 -8.171 7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.543 -7.291 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.179 -9.250 10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.762 -10.142 9.538 1.00 0.00 H new ATOM 1176 N GLY A 75 1.953 -6.648 12.046 1.00 0.00 N ATOM 1177 CA GLY A 75 2.107 -5.528 12.956 1.00 0.00 C ATOM 1178 C GLY A 75 1.945 -6.058 14.370 1.00 0.00 C ATOM 1179 O GLY A 75 2.138 -7.257 14.566 1.00 0.00 O ATOM 0 H GLY A 75 1.788 -7.540 12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.086 -5.065 12.831 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.362 -4.760 12.747 1.00 0.00 H new ATOM 1183 N ARG A 76 1.544 -5.180 15.297 1.00 0.00 N ATOM 1184 CA ARG A 76 1.089 -5.409 16.667 1.00 0.00 C ATOM 1185 C ARG A 76 1.541 -4.216 17.520 1.00 0.00 C ATOM 1186 O ARG A 76 2.287 -3.366 16.979 1.00 0.00 O ATOM 1187 CB ARG A 76 1.478 -6.795 17.232 1.00 0.00 C ATOM 1188 CG ARG A 76 0.928 -7.167 18.617 1.00 0.00 C ATOM 1189 CD ARG A 76 -0.603 -7.104 18.661 1.00 0.00 C ATOM 1190 NE ARG A 76 -1.063 -5.725 18.875 1.00 0.00 N ATOM 1191 CZ ARG A 76 -2.333 -5.312 18.763 1.00 0.00 C ATOM 1192 NH1 ARG A 76 -3.273 -6.170 18.350 1.00 0.00 N ATOM 1193 NH2 ARG A 76 -2.660 -4.053 19.061 1.00 0.00 N ATOM 1194 OXT ARG A 76 1.050 -4.114 18.667 1.00 0.00 O ATOM 0 H ARG A 76 1.530 -4.184 15.078 1.00 0.00 H new ATOM 0 HA ARG A 76 0.000 -5.457 16.687 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.148 -7.554 16.522 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.566 -6.849 17.275 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.257 -8.172 18.880 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.341 -6.490 19.365 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.014 -7.488 17.728 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.975 -7.744 19.461 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.362 -5.029 19.128 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.021 -7.132 18.123 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.242 -5.862 18.263 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.942 -3.400 19.376 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.628 -3.743 18.974 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.523 1.935 -14.200 1.00 0.00 CU