USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=16 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 7 MET CE :methyl 143:sc= -0.802 (180deg=-1.91!) USER MOD Set 1.2: A 57 MET CE :methyl 164:sc= -1.28 (180deg=-1.33) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.216 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.11) USER MOD Single : A 12 MET CE :methyl 164:sc= -0.655 (180deg=-2.04) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0724 USER MOD Single : A 15 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.13) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 141:sc= 0.753 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.224 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= -0.0238 X(o=-0.024,f=-0.36) USER MOD Single : A 32 GLN : amide:sc= -0.0854 X(o=-0.085,f=-0.067) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 143:sc= 1.31 USER MOD Single : A 40 ASN : amide:sc= -0.0861 K(o=-0.086,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= -0.34 K(o=-0.34,f=-6.1!) USER MOD Single : A 44 THR OG1 : rot 87:sc= 0.641 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) USER MOD Single : A 50 HIS : no HE2:sc= -0.602 K(o=-0.6,f=-2.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.3) USER MOD Single : A 64 MET CE :methyl 179:sc= 0 (180deg=-0.000374) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.951 2.478 17.532 1.00 0.00 N ATOM 2 CA GLY A 1 3.402 2.195 16.162 1.00 0.00 C ATOM 3 C GLY A 1 2.194 1.868 15.299 1.00 0.00 C ATOM 4 O GLY A 1 1.083 1.795 15.823 1.00 0.00 O ATOM 0 H1 GLY A 1 3.197 3.457 17.783 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.920 2.354 17.591 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.417 1.824 18.193 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.933 3.056 15.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.102 1.359 16.161 1.00 0.00 H new ATOM 10 N GLU A 2 2.429 1.718 14.004 1.00 0.00 N ATOM 11 CA GLU A 2 1.461 1.484 12.956 1.00 0.00 C ATOM 12 C GLU A 2 1.370 -0.019 12.651 1.00 0.00 C ATOM 13 O GLU A 2 1.870 -0.833 13.426 1.00 0.00 O ATOM 14 CB GLU A 2 1.912 2.336 11.760 1.00 0.00 C ATOM 15 CG GLU A 2 3.275 1.948 11.155 1.00 0.00 C ATOM 16 CD GLU A 2 4.498 2.672 11.725 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.556 2.839 12.963 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.370 3.038 10.910 1.00 0.00 O ATOM 0 H GLU A 2 3.379 1.761 13.635 1.00 0.00 H new ATOM 0 HA GLU A 2 0.450 1.777 13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.154 2.269 10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.955 3.379 12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.417 0.876 11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.238 2.131 10.081 1.00 0.00 H new ATOM 25 N VAL A 3 0.742 -0.394 11.532 1.00 0.00 N ATOM 26 CA VAL A 3 0.607 -1.775 11.094 1.00 0.00 C ATOM 27 C VAL A 3 0.952 -1.841 9.607 1.00 0.00 C ATOM 28 O VAL A 3 0.591 -0.948 8.839 1.00 0.00 O ATOM 29 CB VAL A 3 -0.829 -2.243 11.354 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.110 -3.647 10.822 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.157 -2.224 12.853 1.00 0.00 C ATOM 0 H VAL A 3 0.306 0.274 10.896 1.00 0.00 H new ATOM 0 HA VAL A 3 1.283 -2.431 11.643 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.462 -1.537 10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.143 -3.918 11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.948 -3.667 9.744 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.440 -4.359 11.303 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.182 -2.561 13.005 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.474 -2.888 13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.048 -1.210 13.237 1.00 0.00 H new ATOM 41 N VAL A 4 1.651 -2.905 9.209 1.00 0.00 N ATOM 42 CA VAL A 4 2.095 -3.173 7.866 1.00 0.00 C ATOM 43 C VAL A 4 1.188 -4.197 7.192 1.00 0.00 C ATOM 44 O VAL A 4 0.923 -5.273 7.738 1.00 0.00 O ATOM 45 CB VAL A 4 3.572 -3.543 7.865 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.848 -4.722 8.766 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.999 -3.916 6.457 1.00 0.00 C ATOM 0 H VAL A 4 1.932 -3.636 9.862 1.00 0.00 H new ATOM 0 HA VAL A 4 2.012 -2.271 7.259 1.00 0.00 H new ATOM 0 HB VAL A 4 4.129 -2.680 8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.912 -4.958 8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.555 -4.476 9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.277 -5.584 8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.056 -4.181 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.411 -4.767 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.836 -3.069 5.791 1.00 0.00 H new ATOM 57 N LEU A 5 0.724 -3.853 5.991 1.00 0.00 N ATOM 58 CA LEU A 5 -0.045 -4.727 5.134 1.00 0.00 C ATOM 59 C LEU A 5 0.729 -4.880 3.844 1.00 0.00 C ATOM 60 O LEU A 5 1.386 -3.944 3.388 1.00 0.00 O ATOM 61 CB LEU A 5 -1.422 -4.134 4.839 1.00 0.00 C ATOM 62 CG LEU A 5 -2.440 -4.545 5.906 1.00 0.00 C ATOM 63 CD1 LEU A 5 -2.088 -4.012 7.292 1.00 0.00 C ATOM 64 CD2 LEU A 5 -3.837 -4.165 5.439 1.00 0.00 C ATOM 0 H LEU A 5 0.882 -2.931 5.585 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.199 -5.689 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.352 -3.047 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.763 -4.468 3.859 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.412 -5.628 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.844 -4.334 8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.114 -4.398 7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.054 -2.923 7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.565 -4.456 6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.888 -3.088 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.060 -4.679 4.504 1.00 0.00 H new ATOM 76 N LYS A 6 0.628 -6.073 3.273 1.00 0.00 N ATOM 77 CA LYS A 6 1.310 -6.460 2.059 1.00 0.00 C ATOM 78 C LYS A 6 0.247 -6.904 1.064 1.00 0.00 C ATOM 79 O LYS A 6 -0.591 -7.766 1.350 1.00 0.00 O ATOM 80 CB LYS A 6 2.336 -7.537 2.385 1.00 0.00 C ATOM 81 CG LYS A 6 3.309 -7.887 1.254 1.00 0.00 C ATOM 82 CD LYS A 6 2.639 -8.807 0.225 1.00 0.00 C ATOM 83 CE LYS A 6 3.685 -9.604 -0.575 1.00 0.00 C ATOM 84 NZ LYS A 6 3.091 -10.724 -1.325 1.00 0.00 N ATOM 0 H LYS A 6 0.048 -6.818 3.660 1.00 0.00 H new ATOM 0 HA LYS A 6 1.868 -5.639 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.914 -7.213 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.805 -8.443 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.649 -6.974 0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.192 -8.376 1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.965 -9.496 0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.032 -8.212 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.193 -8.935 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.442 -9.990 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.837 -11.228 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.629 -11.379 -0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.387 -10.357 -1.997 1.00 0.00 H new ATOM 98 N MET A 7 0.303 -6.278 -0.104 1.00 0.00 N ATOM 99 CA MET A 7 -0.563 -6.498 -1.235 1.00 0.00 C ATOM 100 C MET A 7 0.285 -7.041 -2.380 1.00 0.00 C ATOM 101 O MET A 7 1.335 -6.478 -2.676 1.00 0.00 O ATOM 102 CB MET A 7 -1.270 -5.193 -1.631 1.00 0.00 C ATOM 103 CG MET A 7 -1.532 -4.209 -0.481 1.00 0.00 C ATOM 104 SD MET A 7 -2.405 -2.706 -0.982 1.00 0.00 S ATOM 105 CE MET A 7 -2.702 -1.975 0.639 1.00 0.00 C ATOM 0 H MET A 7 1.002 -5.559 -0.290 1.00 0.00 H new ATOM 0 HA MET A 7 -1.341 -7.219 -0.985 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.668 -4.689 -2.387 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.223 -5.443 -2.097 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.113 -4.714 0.290 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.579 -3.930 -0.031 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.602 -0.892 0.573 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.709 -2.227 0.973 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.975 -2.364 1.352 1.00 0.00 H new ATOM 115 N LYS A 8 -0.124 -8.143 -3.010 1.00 0.00 N ATOM 116 CA LYS A 8 0.511 -8.566 -4.256 1.00 0.00 C ATOM 117 C LYS A 8 -0.110 -7.745 -5.380 1.00 0.00 C ATOM 118 O LYS A 8 -1.331 -7.753 -5.486 1.00 0.00 O ATOM 119 CB LYS A 8 0.287 -10.070 -4.475 1.00 0.00 C ATOM 120 CG LYS A 8 1.075 -10.602 -5.676 1.00 0.00 C ATOM 121 CD LYS A 8 0.472 -10.370 -7.076 1.00 0.00 C ATOM 122 CE LYS A 8 0.094 -11.654 -7.833 1.00 0.00 C ATOM 123 NZ LYS A 8 -1.310 -12.045 -7.604 1.00 0.00 N ATOM 0 H LYS A 8 -0.878 -8.748 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 8 1.588 -8.402 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.583 -10.614 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.776 -10.259 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.066 -10.149 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.212 -11.675 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.418 -9.749 -6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.187 -9.808 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.258 -11.506 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.751 -12.465 -7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.533 -12.886 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.450 -12.262 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.938 -11.263 -7.880 1.00 0.00 H new ATOM 137 N VAL A 9 0.683 -7.062 -6.204 1.00 0.00 N ATOM 138 CA VAL A 9 0.157 -6.258 -7.304 1.00 0.00 C ATOM 139 C VAL A 9 0.481 -6.930 -8.633 1.00 0.00 C ATOM 140 O VAL A 9 1.422 -7.717 -8.695 1.00 0.00 O ATOM 141 CB VAL A 9 0.706 -4.826 -7.224 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.081 -4.110 -6.021 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.236 -4.759 -7.125 1.00 0.00 C ATOM 0 H VAL A 9 1.700 -7.050 -6.129 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.928 -6.189 -7.226 1.00 0.00 H new ATOM 0 HB VAL A 9 0.435 -4.332 -8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.469 -3.093 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.002 -4.079 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.332 -4.648 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.552 -3.717 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.566 -5.284 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.678 -5.228 -8.004 1.00 0.00 H new ATOM 153 N GLU A 10 -0.279 -6.633 -9.689 1.00 0.00 N ATOM 154 CA GLU A 10 0.065 -7.061 -11.039 1.00 0.00 C ATOM 155 C GLU A 10 0.150 -5.845 -11.960 1.00 0.00 C ATOM 156 O GLU A 10 -0.614 -4.891 -11.832 1.00 0.00 O ATOM 157 CB GLU A 10 -0.949 -8.071 -11.585 1.00 0.00 C ATOM 158 CG GLU A 10 -1.065 -9.347 -10.744 1.00 0.00 C ATOM 159 CD GLU A 10 -2.370 -9.484 -9.970 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.437 -9.186 -10.542 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.282 -9.965 -8.818 1.00 0.00 O ATOM 0 H GLU A 10 -1.143 -6.093 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 10 1.035 -7.556 -11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.928 -7.594 -11.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.666 -8.342 -12.602 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.956 -10.210 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.235 -9.377 -10.038 1.00 0.00 H new ATOM 168 N GLY A 11 1.101 -5.909 -12.888 1.00 0.00 N ATOM 169 CA GLY A 11 1.325 -4.941 -13.952 1.00 0.00 C ATOM 170 C GLY A 11 2.457 -3.960 -13.633 1.00 0.00 C ATOM 171 O GLY A 11 3.136 -3.491 -14.544 1.00 0.00 O ATOM 0 H GLY A 11 1.770 -6.679 -12.917 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.559 -5.471 -14.876 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.406 -4.383 -14.129 1.00 0.00 H new ATOM 175 N MET A 12 2.661 -3.629 -12.355 1.00 0.00 N ATOM 176 CA MET A 12 3.667 -2.658 -11.952 1.00 0.00 C ATOM 177 C MET A 12 5.078 -3.177 -12.241 1.00 0.00 C ATOM 178 O MET A 12 5.633 -3.946 -11.457 1.00 0.00 O ATOM 179 CB MET A 12 3.555 -2.342 -10.457 1.00 0.00 C ATOM 180 CG MET A 12 2.206 -1.784 -10.007 1.00 0.00 C ATOM 181 SD MET A 12 2.355 -0.979 -8.390 1.00 0.00 S ATOM 182 CE MET A 12 0.642 -1.002 -7.843 1.00 0.00 C ATOM 0 H MET A 12 2.133 -4.027 -11.578 1.00 0.00 H new ATOM 0 HA MET A 12 3.489 -1.751 -12.530 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.759 -3.253 -9.894 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.332 -1.624 -10.195 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.839 -1.069 -10.743 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.473 -2.589 -9.952 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.600 -0.810 -6.771 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.081 -0.232 -8.372 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.206 -1.978 -8.054 1.00 0.00 H new ATOM 192 N THR A 13 5.698 -2.758 -13.345 1.00 0.00 N ATOM 193 CA THR A 13 7.074 -3.094 -13.648 1.00 0.00 C ATOM 194 C THR A 13 7.754 -1.899 -14.335 1.00 0.00 C ATOM 195 O THR A 13 8.310 -2.019 -15.423 1.00 0.00 O ATOM 196 CB THR A 13 7.082 -4.420 -14.424 1.00 0.00 C ATOM 197 OG1 THR A 13 6.483 -5.440 -13.642 1.00 0.00 O ATOM 198 CG2 THR A 13 8.489 -4.889 -14.776 1.00 0.00 C ATOM 0 H THR A 13 5.251 -2.174 -14.052 1.00 0.00 H new ATOM 0 HA THR A 13 7.677 -3.270 -12.757 1.00 0.00 H new ATOM 0 HB THR A 13 6.529 -4.237 -15.345 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.490 -6.282 -14.143 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.433 -5.830 -15.323 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.979 -4.138 -15.396 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.063 -5.035 -13.861 1.00 0.00 H new ATOM 206 N CYS A 14 7.738 -0.740 -13.669 1.00 0.00 N ATOM 207 CA CYS A 14 8.572 0.410 -13.986 1.00 0.00 C ATOM 208 C CYS A 14 8.583 1.306 -12.751 1.00 0.00 C ATOM 209 O CYS A 14 7.676 1.211 -11.920 1.00 0.00 O ATOM 210 CB CYS A 14 8.031 1.157 -15.211 1.00 0.00 C ATOM 211 SG CYS A 14 6.408 1.925 -14.979 1.00 0.00 S ATOM 0 H CYS A 14 7.124 -0.577 -12.871 1.00 0.00 H new ATOM 0 HA CYS A 14 9.585 0.096 -14.238 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.746 1.930 -15.492 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.971 0.460 -16.047 1.00 0.00 H new ATOM 216 N HIS A 15 9.572 2.195 -12.623 1.00 0.00 N ATOM 217 CA HIS A 15 9.655 3.109 -11.486 1.00 0.00 C ATOM 218 C HIS A 15 8.725 4.318 -11.675 1.00 0.00 C ATOM 219 O HIS A 15 9.105 5.450 -11.391 1.00 0.00 O ATOM 220 CB HIS A 15 11.115 3.513 -11.229 1.00 0.00 C ATOM 221 CG HIS A 15 11.312 4.163 -9.880 1.00 0.00 C ATOM 222 ND1 HIS A 15 11.225 3.530 -8.660 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.476 5.503 -9.638 1.00 0.00 C ATOM 224 CE1 HIS A 15 11.339 4.472 -7.705 1.00 0.00 C ATOM 225 NE2 HIS A 15 11.488 5.689 -8.253 1.00 0.00 N ATOM 0 H HIS A 15 10.329 2.299 -13.298 1.00 0.00 H new ATOM 0 HA HIS A 15 9.304 2.593 -10.593 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.750 2.629 -11.298 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.440 4.201 -12.010 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.578 6.277 -10.385 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.314 4.276 -6.643 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.590 6.574 -7.756 1.00 0.00 H new ATOM 233 N SER A 16 7.491 4.068 -12.116 1.00 0.00 N ATOM 234 CA SER A 16 6.450 5.080 -12.223 1.00 0.00 C ATOM 235 C SER A 16 5.261 4.611 -11.401 1.00 0.00 C ATOM 236 O SER A 16 4.909 5.273 -10.432 1.00 0.00 O ATOM 237 CB SER A 16 6.088 5.359 -13.685 1.00 0.00 C ATOM 238 OG SER A 16 7.228 5.835 -14.372 1.00 0.00 O ATOM 0 H SER A 16 7.187 3.141 -12.412 1.00 0.00 H new ATOM 0 HA SER A 16 6.802 6.033 -11.829 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.719 4.450 -14.159 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.285 6.095 -13.738 1.00 0.00 H new ATOM 0 HG SER A 16 6.996 6.012 -15.308 1.00 0.00 H new ATOM 244 N CYS A 17 4.687 3.452 -11.746 1.00 0.00 N ATOM 245 CA CYS A 17 3.547 2.879 -11.043 1.00 0.00 C ATOM 246 C CYS A 17 3.772 2.907 -9.527 1.00 0.00 C ATOM 247 O CYS A 17 3.030 3.552 -8.783 1.00 0.00 O ATOM 248 CB CYS A 17 3.305 1.450 -11.547 1.00 0.00 C ATOM 249 SG CYS A 17 3.201 1.258 -13.348 1.00 0.00 S ATOM 0 H CYS A 17 5.009 2.885 -12.530 1.00 0.00 H new ATOM 0 HA CYS A 17 2.659 3.477 -11.248 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.109 0.813 -11.178 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.379 1.081 -11.107 1.00 0.00 H new ATOM 254 N THR A 18 4.842 2.232 -9.096 1.00 0.00 N ATOM 255 CA THR A 18 5.259 2.179 -7.705 1.00 0.00 C ATOM 256 C THR A 18 5.396 3.592 -7.130 1.00 0.00 C ATOM 257 O THR A 18 4.700 3.936 -6.182 1.00 0.00 O ATOM 258 CB THR A 18 6.526 1.309 -7.538 1.00 0.00 C ATOM 259 OG1 THR A 18 6.974 1.377 -6.204 1.00 0.00 O ATOM 260 CG2 THR A 18 7.707 1.704 -8.432 1.00 0.00 C ATOM 0 H THR A 18 5.448 1.700 -9.720 1.00 0.00 H new ATOM 0 HA THR A 18 4.486 1.686 -7.116 1.00 0.00 H new ATOM 0 HB THR A 18 6.216 0.307 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.294 0.495 -5.921 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.547 1.036 -8.242 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.413 1.628 -9.479 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.003 2.730 -8.212 1.00 0.00 H new ATOM 268 N SER A 19 6.259 4.424 -7.718 1.00 0.00 N ATOM 269 CA SER A 19 6.633 5.723 -7.171 1.00 0.00 C ATOM 270 C SER A 19 5.413 6.642 -7.032 1.00 0.00 C ATOM 271 O SER A 19 5.220 7.268 -5.992 1.00 0.00 O ATOM 272 CB SER A 19 7.729 6.332 -8.059 1.00 0.00 C ATOM 273 OG SER A 19 8.285 7.484 -7.461 1.00 0.00 O ATOM 0 H SER A 19 6.722 4.208 -8.600 1.00 0.00 H new ATOM 0 HA SER A 19 7.029 5.601 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.512 5.594 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.312 6.589 -9.033 1.00 0.00 H new ATOM 0 HG SER A 19 8.981 7.852 -8.045 1.00 0.00 H new ATOM 279 N THR A 20 4.557 6.707 -8.057 1.00 0.00 N ATOM 280 CA THR A 20 3.312 7.458 -8.008 1.00 0.00 C ATOM 281 C THR A 20 2.476 7.028 -6.804 1.00 0.00 C ATOM 282 O THR A 20 2.005 7.875 -6.044 1.00 0.00 O ATOM 283 CB THR A 20 2.547 7.274 -9.328 1.00 0.00 C ATOM 284 OG1 THR A 20 3.301 7.835 -10.382 1.00 0.00 O ATOM 285 CG2 THR A 20 1.174 7.955 -9.300 1.00 0.00 C ATOM 0 H THR A 20 4.716 6.235 -8.947 1.00 0.00 H new ATOM 0 HA THR A 20 3.531 8.519 -7.887 1.00 0.00 H new ATOM 0 HB THR A 20 2.396 6.204 -9.474 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.988 7.197 -10.668 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.670 7.798 -10.254 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.572 7.528 -8.498 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.301 9.024 -9.129 1.00 0.00 H new ATOM 293 N ILE A 21 2.274 5.722 -6.625 1.00 0.00 N ATOM 294 CA ILE A 21 1.519 5.210 -5.501 1.00 0.00 C ATOM 295 C ILE A 21 2.225 5.555 -4.196 1.00 0.00 C ATOM 296 O ILE A 21 1.576 6.003 -3.257 1.00 0.00 O ATOM 297 CB ILE A 21 1.287 3.711 -5.738 1.00 0.00 C ATOM 298 CG1 ILE A 21 -0.027 3.569 -6.499 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.221 2.913 -4.449 1.00 0.00 C ATOM 300 CD1 ILE A 21 -0.066 2.319 -7.365 1.00 0.00 C ATOM 0 H ILE A 21 2.629 5.002 -7.254 1.00 0.00 H new ATOM 0 HA ILE A 21 0.538 5.676 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 21 2.130 3.312 -6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.853 3.541 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.176 4.447 -7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.055 1.861 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.159 3.022 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.401 3.283 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.023 2.266 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.742 2.357 -8.095 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.054 1.437 -6.736 1.00 0.00 H new ATOM 312 N GLU A 22 3.543 5.383 -4.143 1.00 0.00 N ATOM 313 CA GLU A 22 4.361 5.714 -2.993 1.00 0.00 C ATOM 314 C GLU A 22 4.129 7.166 -2.564 1.00 0.00 C ATOM 315 O GLU A 22 3.795 7.428 -1.407 1.00 0.00 O ATOM 316 CB GLU A 22 5.823 5.283 -3.247 1.00 0.00 C ATOM 317 CG GLU A 22 6.063 3.975 -2.475 1.00 0.00 C ATOM 318 CD GLU A 22 7.480 3.420 -2.529 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.366 4.134 -3.044 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.649 2.292 -2.009 1.00 0.00 O ATOM 0 H GLU A 22 4.080 5.000 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 22 4.062 5.143 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.999 5.137 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.514 6.057 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.797 4.138 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.382 3.217 -2.862 1.00 0.00 H new ATOM 327 N GLY A 23 4.203 8.099 -3.512 1.00 0.00 N ATOM 328 CA GLY A 23 3.826 9.484 -3.297 1.00 0.00 C ATOM 329 C GLY A 23 2.389 9.606 -2.780 1.00 0.00 C ATOM 330 O GLY A 23 2.153 10.184 -1.719 1.00 0.00 O ATOM 0 H GLY A 23 4.530 7.907 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.510 9.941 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.925 10.037 -4.231 1.00 0.00 H new ATOM 334 N LYS A 24 1.418 9.088 -3.540 1.00 0.00 N ATOM 335 CA LYS A 24 0.000 9.275 -3.251 1.00 0.00 C ATOM 336 C LYS A 24 -0.344 8.792 -1.841 1.00 0.00 C ATOM 337 O LYS A 24 -0.947 9.520 -1.059 1.00 0.00 O ATOM 338 CB LYS A 24 -0.860 8.559 -4.305 1.00 0.00 C ATOM 339 CG LYS A 24 -2.260 9.182 -4.432 1.00 0.00 C ATOM 340 CD LYS A 24 -2.336 10.056 -5.696 1.00 0.00 C ATOM 341 CE LYS A 24 -3.751 10.614 -5.913 1.00 0.00 C ATOM 342 NZ LYS A 24 -3.919 11.188 -7.267 1.00 0.00 N ATOM 0 H LYS A 24 1.598 8.527 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.220 10.342 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.357 8.600 -5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.955 7.506 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.014 8.396 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.480 9.784 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.628 10.880 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.039 9.468 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.481 9.819 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.957 11.381 -5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.887 11.553 -7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.240 11.964 -7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.748 10.451 -7.980 1.00 0.00 H new ATOM 356 N ILE A 25 0.041 7.555 -1.542 1.00 0.00 N ATOM 357 CA ILE A 25 -0.155 6.912 -0.255 1.00 0.00 C ATOM 358 C ILE A 25 0.595 7.682 0.831 1.00 0.00 C ATOM 359 O ILE A 25 -0.001 8.021 1.851 1.00 0.00 O ATOM 360 CB ILE A 25 0.191 5.417 -0.348 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.816 4.625 -1.191 1.00 0.00 C ATOM 362 CG2 ILE A 25 0.399 4.766 1.022 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.181 4.569 -0.519 1.00 0.00 C ATOM 0 H ILE A 25 0.515 6.954 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.205 6.944 0.036 1.00 0.00 H new ATOM 0 HB ILE A 25 1.148 5.377 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.912 5.086 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.444 3.612 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.640 3.711 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.218 5.264 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.513 4.859 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.871 4.000 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.088 4.085 0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.563 5.581 -0.386 1.00 0.00 H new ATOM 375 N GLY A 26 1.867 8.023 0.599 1.00 0.00 N ATOM 376 CA GLY A 26 2.617 8.897 1.494 1.00 0.00 C ATOM 377 C GLY A 26 1.833 10.167 1.842 1.00 0.00 C ATOM 378 O GLY A 26 1.855 10.622 2.983 1.00 0.00 O ATOM 0 H GLY A 26 2.399 7.701 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.859 8.357 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.563 9.171 1.026 1.00 0.00 H new ATOM 382 N LYS A 27 1.130 10.741 0.861 1.00 0.00 N ATOM 383 CA LYS A 27 0.362 11.962 1.033 1.00 0.00 C ATOM 384 C LYS A 27 -0.896 11.780 1.901 1.00 0.00 C ATOM 385 O LYS A 27 -1.514 12.779 2.271 1.00 0.00 O ATOM 386 CB LYS A 27 0.005 12.519 -0.350 1.00 0.00 C ATOM 387 CG LYS A 27 -0.203 14.039 -0.340 1.00 0.00 C ATOM 388 CD LYS A 27 -1.375 14.462 -1.236 1.00 0.00 C ATOM 389 CE LYS A 27 -2.709 14.209 -0.511 1.00 0.00 C ATOM 390 NZ LYS A 27 -3.878 14.551 -1.345 1.00 0.00 N ATOM 0 H LYS A 27 1.082 10.360 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 27 0.984 12.672 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.799 12.270 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.903 12.034 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.387 14.373 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.708 14.532 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.285 15.518 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.348 13.904 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.768 13.160 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.737 14.796 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.751 14.363 -0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.839 15.558 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.869 13.973 -2.210 1.00 0.00 H new ATOM 404 N LEU A 28 -1.344 10.550 2.182 1.00 0.00 N ATOM 405 CA LEU A 28 -2.588 10.327 2.897 1.00 0.00 C ATOM 406 C LEU A 28 -2.419 10.451 4.406 1.00 0.00 C ATOM 407 O LEU A 28 -1.527 9.850 5.010 1.00 0.00 O ATOM 408 CB LEU A 28 -3.139 8.956 2.592 1.00 0.00 C ATOM 409 CG LEU A 28 -3.453 8.736 1.104 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.439 7.580 1.043 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.086 9.931 0.376 1.00 0.00 C ATOM 0 H LEU A 28 -0.854 9.695 1.919 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.278 11.099 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.420 8.204 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.048 8.801 3.173 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.503 8.557 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.699 7.378 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.986 6.692 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.340 7.840 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.266 9.668 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.031 10.189 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.411 10.785 0.423 1.00 0.00 H new ATOM 423 N GLN A 29 -3.341 11.187 5.024 1.00 0.00 N ATOM 424 CA GLN A 29 -3.352 11.407 6.454 1.00 0.00 C ATOM 425 C GLN A 29 -3.685 10.120 7.219 1.00 0.00 C ATOM 426 O GLN A 29 -4.849 9.812 7.461 1.00 0.00 O ATOM 427 CB GLN A 29 -4.270 12.598 6.776 1.00 0.00 C ATOM 428 CG GLN A 29 -5.748 12.301 6.470 1.00 0.00 C ATOM 429 CD GLN A 29 -6.546 13.543 6.082 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.096 14.359 5.284 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.753 13.695 6.621 1.00 0.00 N ATOM 0 H GLN A 29 -4.106 11.649 4.533 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.354 11.675 6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.166 12.859 7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.950 13.466 6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.805 11.573 5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.208 11.841 7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.107 13.004 7.282 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.324 14.503 6.373 1.00 0.00 H new ATOM 440 N GLY A 30 -2.661 9.352 7.594 1.00 0.00 N ATOM 441 CA GLY A 30 -2.852 8.075 8.272 1.00 0.00 C ATOM 442 C GLY A 30 -1.738 7.076 8.019 1.00 0.00 C ATOM 443 O GLY A 30 -1.577 6.122 8.784 1.00 0.00 O ATOM 0 H GLY A 30 -1.684 9.598 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.932 8.252 9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.798 7.640 7.949 1.00 0.00 H new ATOM 447 N VAL A 31 -0.988 7.272 6.937 1.00 0.00 N ATOM 448 CA VAL A 31 0.112 6.396 6.593 1.00 0.00 C ATOM 449 C VAL A 31 1.376 6.847 7.320 1.00 0.00 C ATOM 450 O VAL A 31 1.535 8.026 7.630 1.00 0.00 O ATOM 451 CB VAL A 31 0.267 6.411 5.064 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.548 5.726 4.572 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.957 5.749 4.421 1.00 0.00 C ATOM 0 H VAL A 31 -1.130 8.041 6.282 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.079 5.370 6.909 1.00 0.00 H new ATOM 0 HB VAL A 31 0.342 7.456 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.591 5.774 3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.416 6.233 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.548 4.683 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.848 5.759 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.038 4.719 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.856 6.298 4.701 1.00 0.00 H new ATOM 463 N GLN A 32 2.260 5.886 7.598 1.00 0.00 N ATOM 464 CA GLN A 32 3.521 6.092 8.290 1.00 0.00 C ATOM 465 C GLN A 32 4.704 5.665 7.415 1.00 0.00 C ATOM 466 O GLN A 32 5.745 6.319 7.424 1.00 0.00 O ATOM 467 CB GLN A 32 3.483 5.299 9.597 1.00 0.00 C ATOM 468 CG GLN A 32 2.844 6.080 10.742 1.00 0.00 C ATOM 469 CD GLN A 32 3.759 7.178 11.274 1.00 0.00 C ATOM 470 OE1 GLN A 32 3.430 8.358 11.220 1.00 0.00 O ATOM 471 NE2 GLN A 32 4.922 6.797 11.795 1.00 0.00 N ATOM 0 H GLN A 32 2.106 4.912 7.336 1.00 0.00 H new ATOM 0 HA GLN A 32 3.657 7.151 8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.928 4.374 9.440 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.498 5.018 9.876 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.909 6.523 10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.594 5.394 11.552 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.167 5.807 11.826 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.569 7.494 12.164 1.00 0.00 H new ATOM 480 N ARG A 33 4.568 4.575 6.654 1.00 0.00 N ATOM 481 CA ARG A 33 5.593 4.107 5.740 1.00 0.00 C ATOM 482 C ARG A 33 4.916 3.342 4.617 1.00 0.00 C ATOM 483 O ARG A 33 3.717 3.074 4.644 1.00 0.00 O ATOM 484 CB ARG A 33 6.628 3.238 6.474 1.00 0.00 C ATOM 485 CG ARG A 33 8.057 3.665 6.122 1.00 0.00 C ATOM 486 CD ARG A 33 9.041 2.567 6.536 1.00 0.00 C ATOM 487 NE ARG A 33 10.433 3.031 6.432 1.00 0.00 N ATOM 488 CZ ARG A 33 11.076 3.749 7.368 1.00 0.00 C ATOM 489 NH1 ARG A 33 10.435 4.117 8.484 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.355 4.094 7.181 1.00 0.00 N ATOM 0 H ARG A 33 3.731 3.992 6.661 1.00 0.00 H new ATOM 0 HA ARG A 33 6.137 4.954 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.476 3.318 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.482 2.191 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.137 3.854 5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.303 4.598 6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.834 2.257 7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.899 1.691 5.903 1.00 0.00 H new ATOM 0 HE ARG A 33 10.949 2.790 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.460 3.852 8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.922 4.662 9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.840 3.812 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.845 4.639 7.890 1.00 0.00 H new ATOM 504 N ILE A 34 5.701 3.010 3.606 1.00 0.00 N ATOM 505 CA ILE A 34 5.273 2.320 2.429 1.00 0.00 C ATOM 506 C ILE A 34 6.548 1.701 1.854 1.00 0.00 C ATOM 507 O ILE A 34 7.631 2.263 2.031 1.00 0.00 O ATOM 508 CB ILE A 34 4.544 3.323 1.523 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.093 2.593 0.259 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.402 4.564 1.219 1.00 0.00 C ATOM 511 CD1 ILE A 34 3.041 3.338 -0.556 1.00 0.00 C ATOM 0 H ILE A 34 6.697 3.230 3.596 1.00 0.00 H new ATOM 0 HA ILE A 34 4.551 1.518 2.586 1.00 0.00 H new ATOM 0 HB ILE A 34 3.666 3.710 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.963 2.412 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.695 1.618 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.844 5.244 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.652 5.071 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.319 4.258 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.778 2.750 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.152 3.495 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.440 4.302 -0.871 1.00 0.00 H new ATOM 523 N LYS A 35 6.427 0.516 1.263 1.00 0.00 N ATOM 524 CA LYS A 35 7.476 -0.203 0.573 1.00 0.00 C ATOM 525 C LYS A 35 6.924 -0.957 -0.657 1.00 0.00 C ATOM 526 O LYS A 35 6.541 -2.124 -0.552 1.00 0.00 O ATOM 527 CB LYS A 35 8.251 -1.110 1.551 1.00 0.00 C ATOM 528 CG LYS A 35 9.443 -0.473 2.271 1.00 0.00 C ATOM 529 CD LYS A 35 10.557 -0.113 1.281 1.00 0.00 C ATOM 530 CE LYS A 35 11.860 0.263 2.004 1.00 0.00 C ATOM 531 NZ LYS A 35 12.871 -0.811 1.915 1.00 0.00 N ATOM 0 H LYS A 35 5.542 0.009 1.256 1.00 0.00 H new ATOM 0 HA LYS A 35 8.196 0.516 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.553 -1.476 2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.610 -1.979 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.117 0.424 2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.829 -1.162 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.740 -0.957 0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.234 0.720 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.264 1.178 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.646 0.474 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.734 -0.517 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.496 -1.678 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.095 -0.995 0.916 1.00 0.00 H new ATOM 545 N VAL A 36 6.864 -0.312 -1.828 1.00 0.00 N ATOM 546 CA VAL A 36 6.326 -0.928 -3.043 1.00 0.00 C ATOM 547 C VAL A 36 7.451 -1.500 -3.924 1.00 0.00 C ATOM 548 O VAL A 36 7.970 -0.830 -4.819 1.00 0.00 O ATOM 549 CB VAL A 36 5.365 0.037 -3.763 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.728 -0.631 -4.993 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.235 0.477 -2.825 1.00 0.00 C ATOM 0 H VAL A 36 7.186 0.647 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 36 5.719 -1.792 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 36 5.953 0.900 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.054 0.073 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.510 -0.929 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.167 -1.511 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.568 1.158 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.674 -0.398 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.658 0.984 -1.958 1.00 0.00 H new ATOM 561 N SER A 37 7.811 -2.763 -3.666 1.00 0.00 N ATOM 562 CA SER A 37 8.862 -3.519 -4.328 1.00 0.00 C ATOM 563 C SER A 37 8.418 -3.964 -5.729 1.00 0.00 C ATOM 564 O SER A 37 7.445 -4.699 -5.870 1.00 0.00 O ATOM 565 CB SER A 37 9.215 -4.737 -3.462 1.00 0.00 C ATOM 566 OG SER A 37 8.877 -4.539 -2.095 1.00 0.00 O ATOM 0 H SER A 37 7.343 -3.311 -2.944 1.00 0.00 H new ATOM 0 HA SER A 37 9.741 -2.886 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.691 -5.614 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.282 -4.943 -3.545 1.00 0.00 H new ATOM 0 HG SER A 37 8.543 -5.379 -1.716 1.00 0.00 H new ATOM 572 N LEU A 38 9.145 -3.569 -6.776 1.00 0.00 N ATOM 573 CA LEU A 38 8.822 -3.946 -8.149 1.00 0.00 C ATOM 574 C LEU A 38 9.170 -5.407 -8.421 1.00 0.00 C ATOM 575 O LEU A 38 8.358 -6.132 -8.992 1.00 0.00 O ATOM 576 CB LEU A 38 9.485 -2.946 -9.105 1.00 0.00 C ATOM 577 CG LEU A 38 9.800 -3.387 -10.546 1.00 0.00 C ATOM 578 CD1 LEU A 38 9.929 -2.126 -11.410 1.00 0.00 C ATOM 579 CD2 LEU A 38 11.116 -4.168 -10.674 1.00 0.00 C ATOM 0 H LEU A 38 9.973 -2.979 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 38 7.747 -3.888 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.840 -2.069 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.421 -2.624 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 38 8.992 -4.046 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.153 -2.411 -12.438 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.992 -1.569 -11.383 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.734 -1.501 -11.023 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.274 -4.447 -11.716 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.944 -3.544 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.066 -5.068 -10.061 1.00 0.00 H new ATOM 591 N ASP A 39 10.366 -5.839 -8.014 1.00 0.00 N ATOM 592 CA ASP A 39 10.946 -7.128 -8.365 1.00 0.00 C ATOM 593 C ASP A 39 9.946 -8.249 -8.174 1.00 0.00 C ATOM 594 O ASP A 39 9.603 -8.966 -9.111 1.00 0.00 O ATOM 595 CB ASP A 39 12.167 -7.414 -7.482 1.00 0.00 C ATOM 596 CG ASP A 39 13.175 -6.272 -7.484 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.746 -5.154 -7.110 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.338 -6.531 -7.857 1.00 0.00 O ATOM 0 H ASP A 39 10.972 -5.281 -7.413 1.00 0.00 H new ATOM 0 HA ASP A 39 11.238 -7.082 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.836 -7.599 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.655 -8.325 -7.829 1.00 0.00 H new ATOM 603 N ASN A 40 9.482 -8.380 -6.931 1.00 0.00 N ATOM 604 CA ASN A 40 8.581 -9.449 -6.553 1.00 0.00 C ATOM 605 C ASN A 40 7.119 -8.971 -6.618 1.00 0.00 C ATOM 606 O ASN A 40 6.277 -9.494 -5.891 1.00 0.00 O ATOM 607 CB ASN A 40 8.974 -9.997 -5.180 1.00 0.00 C ATOM 608 CG ASN A 40 8.437 -11.405 -4.921 1.00 0.00 C ATOM 609 OD1 ASN A 40 8.245 -12.197 -5.838 1.00 0.00 O ATOM 610 ND2 ASN A 40 8.233 -11.761 -3.655 1.00 0.00 N ATOM 0 H ASN A 40 9.723 -7.748 -6.168 1.00 0.00 H new ATOM 0 HA ASN A 40 8.665 -10.273 -7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.061 -10.008 -5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.602 -9.325 -4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.912 -12.704 -3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.397 -11.091 -2.904 1.00 0.00 H new ATOM 617 N GLN A 41 6.848 -7.945 -7.447 1.00 0.00 N ATOM 618 CA GLN A 41 5.620 -7.157 -7.544 1.00 0.00 C ATOM 619 C GLN A 41 4.788 -7.136 -6.250 1.00 0.00 C ATOM 620 O GLN A 41 3.727 -7.762 -6.137 1.00 0.00 O ATOM 621 CB GLN A 41 4.790 -7.583 -8.752 1.00 0.00 C ATOM 622 CG GLN A 41 5.178 -6.858 -10.035 1.00 0.00 C ATOM 623 CD GLN A 41 4.227 -7.242 -11.162 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.415 -6.442 -11.611 1.00 0.00 O ATOM 625 NE2 GLN A 41 4.283 -8.492 -11.608 1.00 0.00 N ATOM 0 H GLN A 41 7.545 -7.625 -8.119 1.00 0.00 H new ATOM 0 HA GLN A 41 5.934 -6.124 -7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.903 -8.657 -8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.736 -7.399 -8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.149 -5.780 -9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.202 -7.112 -10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.967 -9.142 -11.220 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.642 -8.802 -12.338 1.00 0.00 H new ATOM 634 N GLU A 42 5.268 -6.371 -5.276 1.00 0.00 N ATOM 635 CA GLU A 42 4.740 -6.301 -3.931 1.00 0.00 C ATOM 636 C GLU A 42 4.491 -4.838 -3.593 1.00 0.00 C ATOM 637 O GLU A 42 5.331 -3.983 -3.853 1.00 0.00 O ATOM 638 CB GLU A 42 5.790 -6.914 -3.008 1.00 0.00 C ATOM 639 CG GLU A 42 5.641 -6.552 -1.532 1.00 0.00 C ATOM 640 CD GLU A 42 6.748 -7.235 -0.762 1.00 0.00 C ATOM 641 OE1 GLU A 42 7.901 -6.776 -0.932 1.00 0.00 O ATOM 642 OE2 GLU A 42 6.426 -8.239 -0.090 1.00 0.00 O ATOM 0 H GLU A 42 6.071 -5.758 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 42 3.800 -6.842 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.750 -7.999 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.777 -6.600 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.696 -5.472 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.667 -6.870 -1.159 1.00 0.00 H new ATOM 649 N ALA A 43 3.345 -4.571 -2.974 1.00 0.00 N ATOM 650 CA ALA A 43 2.998 -3.285 -2.410 1.00 0.00 C ATOM 651 C ALA A 43 2.858 -3.443 -0.899 1.00 0.00 C ATOM 652 O ALA A 43 1.848 -3.955 -0.421 1.00 0.00 O ATOM 653 CB ALA A 43 1.739 -2.744 -3.086 1.00 0.00 C ATOM 0 H ALA A 43 2.613 -5.271 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 43 3.779 -2.547 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.483 -1.775 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.920 -2.631 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.914 -3.439 -2.929 1.00 0.00 H new ATOM 659 N THR A 44 3.871 -3.012 -0.147 1.00 0.00 N ATOM 660 CA THR A 44 3.811 -2.904 1.302 1.00 0.00 C ATOM 661 C THR A 44 3.281 -1.525 1.641 1.00 0.00 C ATOM 662 O THR A 44 3.869 -0.552 1.184 1.00 0.00 O ATOM 663 CB THR A 44 5.228 -3.027 1.870 1.00 0.00 C ATOM 664 OG1 THR A 44 5.902 -4.105 1.262 1.00 0.00 O ATOM 665 CG2 THR A 44 5.195 -3.235 3.383 1.00 0.00 C ATOM 0 H THR A 44 4.768 -2.725 -0.538 1.00 0.00 H new ATOM 0 HA THR A 44 3.174 -3.685 1.717 1.00 0.00 H new ATOM 0 HB THR A 44 5.758 -2.099 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.329 -3.799 0.435 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.214 -3.319 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.701 -2.386 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.646 -4.148 3.613 1.00 0.00 H new ATOM 673 N ILE A 45 2.220 -1.408 2.435 1.00 0.00 N ATOM 674 CA ILE A 45 1.776 -0.132 2.966 1.00 0.00 C ATOM 675 C ILE A 45 1.753 -0.247 4.487 1.00 0.00 C ATOM 676 O ILE A 45 1.265 -1.246 5.017 1.00 0.00 O ATOM 677 CB ILE A 45 0.416 0.263 2.379 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.465 0.428 0.851 1.00 0.00 C ATOM 679 CG2 ILE A 45 0.028 1.625 2.979 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.642 -0.832 -0.001 1.00 0.00 C ATOM 0 H ILE A 45 1.646 -2.199 2.726 1.00 0.00 H new ATOM 0 HA ILE A 45 2.460 0.667 2.681 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.299 -0.525 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.458 0.916 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.282 1.109 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.938 1.936 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.037 1.539 4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.784 2.366 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.658 -0.559 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.581 -1.320 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.187 -1.516 0.184 1.00 0.00 H new ATOM 692 N VAL A 46 2.319 0.749 5.171 1.00 0.00 N ATOM 693 CA VAL A 46 2.503 0.757 6.616 1.00 0.00 C ATOM 694 C VAL A 46 1.725 1.945 7.187 1.00 0.00 C ATOM 695 O VAL A 46 2.133 3.098 7.027 1.00 0.00 O ATOM 696 CB VAL A 46 4.008 0.784 6.954 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.288 0.311 8.387 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.837 -0.079 5.989 1.00 0.00 C ATOM 0 H VAL A 46 2.670 1.593 4.719 1.00 0.00 H new ATOM 0 HA VAL A 46 2.111 -0.150 7.076 1.00 0.00 H new ATOM 0 HB VAL A 46 4.307 1.827 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.360 0.347 8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.771 0.961 9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.932 -0.712 8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.890 -0.028 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.497 -1.113 6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.713 0.291 4.971 1.00 0.00 H new ATOM 708 N TYR A 47 0.564 1.677 7.795 1.00 0.00 N ATOM 709 CA TYR A 47 -0.410 2.705 8.134 1.00 0.00 C ATOM 710 C TYR A 47 -1.016 2.476 9.506 1.00 0.00 C ATOM 711 O TYR A 47 -0.910 1.391 10.077 1.00 0.00 O ATOM 712 CB TYR A 47 -1.530 2.748 7.087 1.00 0.00 C ATOM 713 CG TYR A 47 -2.544 1.626 7.241 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.228 0.335 6.789 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.743 1.837 7.951 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.152 -0.707 6.953 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.672 0.794 8.098 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.375 -0.481 7.602 1.00 0.00 C ATOM 719 OH TYR A 47 -5.277 -1.492 7.745 1.00 0.00 O ATOM 0 H TYR A 47 0.278 0.736 8.064 1.00 0.00 H new ATOM 0 HA TYR A 47 0.120 3.658 8.147 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.046 3.706 7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.089 2.695 6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.276 0.145 6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.948 2.805 8.384 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.920 -1.692 6.576 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.615 0.975 8.593 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.068 -1.160 8.219 1.00 0.00 H new ATOM 729 N GLN A 48 -1.661 3.519 10.022 1.00 0.00 N ATOM 730 CA GLN A 48 -2.179 3.546 11.370 1.00 0.00 C ATOM 731 C GLN A 48 -3.673 3.173 11.367 1.00 0.00 C ATOM 732 O GLN A 48 -4.482 3.956 10.857 1.00 0.00 O ATOM 733 CB GLN A 48 -1.899 4.945 11.923 1.00 0.00 C ATOM 734 CG GLN A 48 -1.897 4.901 13.459 1.00 0.00 C ATOM 735 CD GLN A 48 -1.318 6.168 14.074 1.00 0.00 C ATOM 736 OE1 GLN A 48 -0.152 6.484 13.869 1.00 0.00 O ATOM 737 NE2 GLN A 48 -2.109 6.893 14.861 1.00 0.00 N ATOM 0 H GLN A 48 -1.837 4.378 9.500 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.697 2.811 12.015 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.937 5.305 11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.656 5.645 11.570 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.917 4.759 13.817 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.319 4.040 13.795 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.076 6.607 15.015 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.748 7.735 15.311 1.00 0.00 H new ATOM 746 N PRO A 49 -4.057 1.995 11.902 1.00 0.00 N ATOM 747 CA PRO A 49 -5.413 1.464 11.812 1.00 0.00 C ATOM 748 C PRO A 49 -6.365 2.257 12.711 1.00 0.00 C ATOM 749 O PRO A 49 -6.745 1.820 13.795 1.00 0.00 O ATOM 750 CB PRO A 49 -5.308 -0.010 12.213 1.00 0.00 C ATOM 751 CG PRO A 49 -4.145 0.001 13.199 1.00 0.00 C ATOM 752 CD PRO A 49 -3.201 1.035 12.587 1.00 0.00 C ATOM 0 HA PRO A 49 -5.828 1.553 10.808 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.227 -0.372 12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.107 -0.651 11.355 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.465 0.287 14.201 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.675 -0.979 13.282 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.603 1.523 13.357 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.504 0.566 11.892 1.00 0.00 H new ATOM 760 N HIS A 50 -6.732 3.444 12.238 1.00 0.00 N ATOM 761 CA HIS A 50 -7.546 4.433 12.926 1.00 0.00 C ATOM 762 C HIS A 50 -7.797 5.574 11.949 1.00 0.00 C ATOM 763 O HIS A 50 -8.928 6.038 11.819 1.00 0.00 O ATOM 764 CB HIS A 50 -6.820 4.945 14.185 1.00 0.00 C ATOM 765 CG HIS A 50 -7.347 6.239 14.772 1.00 0.00 C ATOM 766 ND1 HIS A 50 -8.518 6.889 14.439 1.00 0.00 N ATOM 767 CD2 HIS A 50 -6.674 7.042 15.654 1.00 0.00 C ATOM 768 CE1 HIS A 50 -8.541 8.055 15.107 1.00 0.00 C ATOM 769 NE2 HIS A 50 -7.439 8.193 15.860 1.00 0.00 N ATOM 0 H HIS A 50 -6.451 3.757 11.309 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.490 3.996 13.250 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.874 4.172 14.952 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -5.766 5.081 13.943 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -9.236 6.546 13.801 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.720 6.824 16.110 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.338 8.782 15.046 1.00 0.00 H new ATOM 777 N LEU A 51 -6.724 6.068 11.331 1.00 0.00 N ATOM 778 CA LEU A 51 -6.782 7.270 10.516 1.00 0.00 C ATOM 779 C LEU A 51 -7.279 6.940 9.114 1.00 0.00 C ATOM 780 O LEU A 51 -8.140 7.631 8.580 1.00 0.00 O ATOM 781 CB LEU A 51 -5.407 7.927 10.489 1.00 0.00 C ATOM 782 CG LEU A 51 -4.984 8.464 11.873 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.509 8.879 11.869 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.825 9.672 12.308 1.00 0.00 C ATOM 0 H LEU A 51 -5.797 5.645 11.384 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.491 7.975 10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.669 7.204 10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.413 8.747 9.771 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.145 7.650 12.579 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.234 9.254 12.855 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.889 8.017 11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.353 9.662 11.127 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.491 10.014 13.287 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.708 10.477 11.583 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.875 9.384 12.364 1.00 0.00 H new ATOM 796 N ILE A 52 -6.721 5.882 8.526 1.00 0.00 N ATOM 797 CA ILE A 52 -6.990 5.436 7.180 1.00 0.00 C ATOM 798 C ILE A 52 -7.259 3.928 7.249 1.00 0.00 C ATOM 799 O ILE A 52 -6.829 3.275 8.202 1.00 0.00 O ATOM 800 CB ILE A 52 -5.771 5.835 6.324 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.198 6.432 4.992 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.746 4.720 6.126 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.350 7.952 5.086 1.00 0.00 C ATOM 0 H ILE A 52 -6.040 5.293 9.006 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.866 5.891 6.718 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.256 6.602 6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.461 6.185 4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.143 5.989 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.923 5.087 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.363 4.402 7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.220 3.874 5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.656 8.348 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.105 8.197 5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.397 8.396 5.375 1.00 0.00 H new ATOM 815 N SER A 53 -7.997 3.382 6.279 1.00 0.00 N ATOM 816 CA SER A 53 -8.456 1.999 6.262 1.00 0.00 C ATOM 817 C SER A 53 -7.980 1.295 4.990 1.00 0.00 C ATOM 818 O SER A 53 -7.638 1.949 4.005 1.00 0.00 O ATOM 819 CB SER A 53 -9.987 2.017 6.327 1.00 0.00 C ATOM 820 OG SER A 53 -10.488 2.812 5.269 1.00 0.00 O ATOM 0 H SER A 53 -8.299 3.910 5.460 1.00 0.00 H new ATOM 0 HA SER A 53 -8.048 1.452 7.112 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.378 1.002 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.318 2.416 7.286 1.00 0.00 H new ATOM 0 HG SER A 53 -11.467 2.825 5.305 1.00 0.00 H new ATOM 826 N VAL A 54 -7.993 -0.046 4.998 1.00 0.00 N ATOM 827 CA VAL A 54 -7.652 -0.870 3.840 1.00 0.00 C ATOM 828 C VAL A 54 -8.320 -0.362 2.565 1.00 0.00 C ATOM 829 O VAL A 54 -7.682 -0.323 1.516 1.00 0.00 O ATOM 830 CB VAL A 54 -8.022 -2.342 4.090 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.974 -3.155 2.789 1.00 0.00 C ATOM 832 CG2 VAL A 54 -7.040 -2.991 5.069 1.00 0.00 C ATOM 0 H VAL A 54 -8.245 -0.591 5.822 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.574 -0.799 3.699 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.032 -2.346 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.240 -4.191 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.680 -2.736 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.968 -3.116 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.322 -4.032 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.032 -2.948 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.066 -2.456 6.019 1.00 0.00 H new ATOM 842 N GLU A 55 -9.612 -0.038 2.645 1.00 0.00 N ATOM 843 CA GLU A 55 -10.370 0.362 1.474 1.00 0.00 C ATOM 844 C GLU A 55 -9.751 1.632 0.889 1.00 0.00 C ATOM 845 O GLU A 55 -9.276 1.569 -0.231 1.00 0.00 O ATOM 846 CB GLU A 55 -11.863 0.427 1.809 1.00 0.00 C ATOM 847 CG GLU A 55 -12.799 0.178 0.615 1.00 0.00 C ATOM 848 CD GLU A 55 -13.104 1.409 -0.229 1.00 0.00 C ATOM 849 OE1 GLU A 55 -12.494 2.463 0.034 1.00 0.00 O ATOM 850 OE2 GLU A 55 -13.949 1.260 -1.138 1.00 0.00 O ATOM 0 H GLU A 55 -10.149 -0.047 3.512 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.311 -0.379 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.080 -0.308 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.085 1.408 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.352 -0.582 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.738 -0.231 0.987 1.00 0.00 H new ATOM 857 N GLU A 56 -9.625 2.714 1.665 1.00 0.00 N ATOM 858 CA GLU A 56 -8.892 3.928 1.330 1.00 0.00 C ATOM 859 C GLU A 56 -7.605 3.577 0.586 1.00 0.00 C ATOM 860 O GLU A 56 -7.431 3.969 -0.566 1.00 0.00 O ATOM 861 CB GLU A 56 -8.589 4.720 2.616 1.00 0.00 C ATOM 862 CG GLU A 56 -9.486 5.951 2.799 1.00 0.00 C ATOM 863 CD GLU A 56 -9.061 7.141 1.941 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.837 7.292 1.731 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.965 7.911 1.550 1.00 0.00 O ATOM 0 H GLU A 56 -10.055 2.764 2.589 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.501 4.551 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.709 4.061 3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.547 5.038 2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.513 5.683 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.476 6.246 3.848 1.00 0.00 H new ATOM 872 N MET A 57 -6.717 2.795 1.217 1.00 0.00 N ATOM 873 CA MET A 57 -5.512 2.351 0.557 1.00 0.00 C ATOM 874 C MET A 57 -5.804 1.751 -0.822 1.00 0.00 C ATOM 875 O MET A 57 -5.350 2.282 -1.830 1.00 0.00 O ATOM 876 CB MET A 57 -4.744 1.385 1.443 1.00 0.00 C ATOM 877 CG MET A 57 -4.575 1.840 2.893 1.00 0.00 C ATOM 878 SD MET A 57 -3.149 1.137 3.739 1.00 0.00 S ATOM 879 CE MET A 57 -3.619 -0.602 3.776 1.00 0.00 C ATOM 0 H MET A 57 -6.822 2.467 2.177 1.00 0.00 H new ATOM 0 HA MET A 57 -4.882 3.224 0.387 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.256 0.423 1.436 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.757 1.224 1.010 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.492 2.927 2.912 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.476 1.579 3.449 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.744 -1.211 4.002 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.377 -0.758 4.543 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.021 -0.891 2.805 1.00 0.00 H new ATOM 889 N LYS A 58 -6.559 0.652 -0.893 1.00 0.00 N ATOM 890 CA LYS A 58 -6.828 0.010 -2.171 1.00 0.00 C ATOM 891 C LYS A 58 -7.520 0.953 -3.127 1.00 0.00 C ATOM 892 O LYS A 58 -6.954 1.225 -4.164 1.00 0.00 O ATOM 893 CB LYS A 58 -7.571 -1.308 -2.005 1.00 0.00 C ATOM 894 CG LYS A 58 -8.175 -1.897 -3.289 1.00 0.00 C ATOM 895 CD LYS A 58 -8.999 -3.147 -2.955 1.00 0.00 C ATOM 896 CE LYS A 58 -10.458 -2.745 -2.695 1.00 0.00 C ATOM 897 NZ LYS A 58 -11.309 -3.918 -2.428 1.00 0.00 N ATOM 0 H LYS A 58 -6.988 0.196 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.867 -0.242 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.885 -2.040 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.373 -1.164 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.806 -1.155 -3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.381 -2.152 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.948 -3.860 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.586 -3.644 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.501 -2.063 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.845 -2.204 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.286 -3.606 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.288 -4.556 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.954 -4.420 -1.589 1.00 0.00 H new ATOM 911 N LYS A 59 -8.721 1.434 -2.832 1.00 0.00 N ATOM 912 CA LYS A 59 -9.453 2.378 -3.646 1.00 0.00 C ATOM 913 C LYS A 59 -8.502 3.420 -4.239 1.00 0.00 C ATOM 914 O LYS A 59 -8.494 3.613 -5.452 1.00 0.00 O ATOM 915 CB LYS A 59 -10.554 2.996 -2.776 1.00 0.00 C ATOM 916 CG LYS A 59 -11.892 3.201 -3.486 1.00 0.00 C ATOM 917 CD LYS A 59 -12.528 1.842 -3.828 1.00 0.00 C ATOM 918 CE LYS A 59 -14.052 1.925 -3.996 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.442 2.267 -5.376 1.00 0.00 N ATOM 0 H LYS A 59 -9.225 1.164 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.922 1.884 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.714 2.357 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.205 3.959 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.565 3.775 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.743 3.780 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.086 1.460 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.292 1.127 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.499 0.970 -3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.451 2.673 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.479 2.312 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.038 3.191 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.084 1.540 -6.028 1.00 0.00 H new ATOM 933 N GLN A 60 -7.643 4.029 -3.413 1.00 0.00 N ATOM 934 CA GLN A 60 -6.677 4.996 -3.931 1.00 0.00 C ATOM 935 C GLN A 60 -5.584 4.357 -4.805 1.00 0.00 C ATOM 936 O GLN A 60 -5.149 4.986 -5.763 1.00 0.00 O ATOM 937 CB GLN A 60 -6.063 5.772 -2.771 1.00 0.00 C ATOM 938 CG GLN A 60 -6.982 6.832 -2.123 1.00 0.00 C ATOM 939 CD GLN A 60 -8.491 6.612 -2.270 1.00 0.00 C ATOM 940 OE1 GLN A 60 -9.152 6.071 -1.395 1.00 0.00 O ATOM 941 NE2 GLN A 60 -9.076 7.058 -3.379 1.00 0.00 N ATOM 0 H GLN A 60 -7.598 3.873 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.219 5.677 -4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.757 5.062 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.159 6.267 -3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.747 6.883 -1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.736 7.804 -2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.518 7.508 -4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.083 6.950 -3.504 1.00 0.00 H new ATOM 950 N ILE A 61 -5.100 3.156 -4.477 1.00 0.00 N ATOM 951 CA ILE A 61 -4.131 2.408 -5.280 1.00 0.00 C ATOM 952 C ILE A 61 -4.783 1.862 -6.546 1.00 0.00 C ATOM 953 O ILE A 61 -4.425 2.285 -7.640 1.00 0.00 O ATOM 954 CB ILE A 61 -3.458 1.317 -4.440 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.645 2.035 -3.355 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.537 0.445 -5.308 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.025 1.055 -2.370 1.00 0.00 C ATOM 0 H ILE A 61 -5.378 2.666 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.342 3.087 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.204 0.655 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.858 2.627 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.290 2.730 -2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.072 -0.321 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.122 -0.031 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.763 1.068 -5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.458 1.604 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.813 0.481 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.359 0.376 -2.903 1.00 0.00 H new ATOM 969 N GLU A 62 -5.723 0.918 -6.415 1.00 0.00 N ATOM 970 CA GLU A 62 -6.560 0.422 -7.490 1.00 0.00 C ATOM 971 C GLU A 62 -6.985 1.533 -8.461 1.00 0.00 C ATOM 972 O GLU A 62 -6.968 1.294 -9.667 1.00 0.00 O ATOM 973 CB GLU A 62 -7.784 -0.272 -6.866 1.00 0.00 C ATOM 974 CG GLU A 62 -7.972 -1.711 -7.341 1.00 0.00 C ATOM 975 CD GLU A 62 -9.252 -2.302 -6.755 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.302 -1.632 -6.865 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.155 -3.390 -6.149 1.00 0.00 O ATOM 0 H GLU A 62 -5.921 0.469 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.988 -0.289 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.682 -0.266 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.679 0.302 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.016 -1.738 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.115 -2.314 -7.042 1.00 0.00 H new ATOM 984 N ALA A 63 -7.326 2.740 -7.973 1.00 0.00 N ATOM 985 CA ALA A 63 -7.676 3.862 -8.850 1.00 0.00 C ATOM 986 C ALA A 63 -6.686 4.069 -10.004 1.00 0.00 C ATOM 987 O ALA A 63 -7.089 4.467 -11.094 1.00 0.00 O ATOM 988 CB ALA A 63 -7.784 5.157 -8.047 1.00 0.00 C ATOM 0 H ALA A 63 -7.365 2.959 -6.977 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.639 3.604 -9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.044 5.978 -8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.556 5.050 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.828 5.368 -7.567 1.00 0.00 H new ATOM 994 N MET A 64 -5.394 3.829 -9.768 1.00 0.00 N ATOM 995 CA MET A 64 -4.353 3.956 -10.776 1.00 0.00 C ATOM 996 C MET A 64 -4.618 3.005 -11.948 1.00 0.00 C ATOM 997 O MET A 64 -4.358 3.354 -13.097 1.00 0.00 O ATOM 998 CB MET A 64 -2.997 3.671 -10.147 1.00 0.00 C ATOM 999 CG MET A 64 -2.457 4.843 -9.325 1.00 0.00 C ATOM 1000 SD MET A 64 -3.620 5.844 -8.367 1.00 0.00 S ATOM 1001 CE MET A 64 -2.509 6.564 -7.144 1.00 0.00 C ATOM 0 H MET A 64 -5.042 3.537 -8.856 1.00 0.00 H new ATOM 0 HA MET A 64 -4.356 4.974 -11.165 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.078 2.793 -9.506 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.283 3.427 -10.933 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.715 4.446 -8.632 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.931 5.511 -10.008 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.072 7.225 -6.485 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.051 5.769 -6.556 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.731 7.134 -7.651 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.116 1.801 -11.645 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.469 0.776 -12.619 1.00 0.00 C ATOM 1013 C GLY A 65 -4.939 -0.593 -12.196 1.00 0.00 C ATOM 1014 O GLY A 65 -5.339 -1.616 -12.745 1.00 0.00 O ATOM 0 H GLY A 65 -5.288 1.509 -10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.553 0.732 -12.728 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.061 1.041 -13.594 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.020 -0.614 -11.230 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.283 -1.801 -10.842 1.00 0.00 C ATOM 1020 C PHE A 66 -4.091 -2.604 -9.821 1.00 0.00 C ATOM 1021 O PHE A 66 -4.309 -2.099 -8.719 1.00 0.00 O ATOM 1022 CB PHE A 66 -1.969 -1.335 -10.214 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.163 -0.397 -11.091 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.775 -0.789 -12.386 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -0.918 0.919 -10.659 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.231 0.159 -13.268 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.299 1.841 -11.514 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.034 1.484 -12.843 1.00 0.00 C ATOM 0 H PHE A 66 -3.768 0.213 -10.689 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.094 -2.439 -11.706 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.187 -0.835 -9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.361 -2.209 -9.979 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.895 -1.815 -12.700 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.208 1.220 -9.663 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.036 -0.130 -14.274 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.028 2.821 -11.151 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.322 2.227 -13.541 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.527 -3.837 -10.124 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.202 -4.658 -9.136 1.00 0.00 C ATOM 1040 C PRO A 67 -4.203 -5.020 -8.032 1.00 0.00 C ATOM 1041 O PRO A 67 -3.024 -5.247 -8.318 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.697 -5.887 -9.900 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.665 -6.033 -11.019 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.296 -4.587 -11.350 1.00 0.00 C ATOM 0 HA PRO A 67 -6.040 -4.157 -8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.731 -6.771 -9.264 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.702 -5.739 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.796 -6.605 -10.693 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.080 -6.550 -11.884 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.256 -4.510 -11.667 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.908 -4.203 -12.166 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.667 -5.048 -6.776 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.834 -5.376 -5.628 1.00 0.00 C ATOM 1054 C ALA A 68 -4.523 -6.380 -4.709 1.00 0.00 C ATOM 1055 O ALA A 68 -5.696 -6.228 -4.378 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.486 -4.119 -4.838 1.00 0.00 C ATOM 0 H ALA A 68 -5.636 -4.842 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.918 -5.827 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.863 -4.387 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.944 -3.425 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.402 -3.646 -4.484 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.767 -7.381 -4.259 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.241 -8.448 -3.394 1.00 0.00 C ATOM 1064 C PHE A 69 -3.717 -8.226 -1.982 1.00 0.00 C ATOM 1065 O PHE A 69 -2.780 -8.907 -1.566 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.794 -9.797 -3.950 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.656 -10.349 -5.063 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.768 -11.151 -4.748 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.340 -10.084 -6.408 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.536 -11.723 -5.776 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.107 -10.659 -7.436 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.197 -11.489 -7.120 1.00 0.00 C ATOM 0 H PHE A 69 -2.779 -7.470 -4.496 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.330 -8.444 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.772 -9.701 -4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.774 -10.520 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.031 -11.327 -3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.508 -9.439 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.387 -12.342 -5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.859 -10.463 -8.469 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.774 -11.947 -7.910 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.326 -7.278 -1.266 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.096 -7.020 0.152 1.00 0.00 C ATOM 1084 C VAL A 70 -4.444 -8.255 0.996 1.00 0.00 C ATOM 1085 O VAL A 70 -5.618 -8.563 1.179 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.774 -5.711 0.585 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.284 -5.731 0.401 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.435 -5.363 2.037 1.00 0.00 C ATOM 0 H VAL A 70 -5.017 -6.648 -1.675 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.034 -6.854 0.332 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.375 -4.940 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.703 -4.778 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.520 -5.892 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.713 -6.537 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.930 -4.432 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.777 -6.164 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.356 -5.245 2.141 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.434 -8.990 1.482 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.646 -10.204 2.259 1.00 0.00 C ATOM 1100 C LYS A 71 -2.464 -10.537 3.180 1.00 0.00 C ATOM 1101 O LYS A 71 -1.851 -11.600 3.087 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.110 -11.344 1.358 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.049 -11.728 0.345 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.690 -12.560 -0.776 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.648 -13.241 -1.671 1.00 0.00 C ATOM 1106 NZ LYS A 71 -2.075 -14.444 -1.030 1.00 0.00 N ATOM 0 H LYS A 71 -2.451 -8.754 1.344 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.463 -10.029 2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.360 -12.211 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.020 -11.048 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.587 -10.833 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.258 -12.300 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.338 -13.318 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.323 -11.915 -1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.109 -13.519 -2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.849 -12.536 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.375 -14.876 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.613 -14.175 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.834 -15.128 -0.835 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.149 -9.624 4.097 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.155 -9.814 5.143 1.00 0.00 C ATOM 1122 C LYS A 72 -1.526 -8.848 6.262 1.00 0.00 C ATOM 1123 O LYS A 72 -2.312 -7.937 6.017 1.00 0.00 O ATOM 1124 CB LYS A 72 0.242 -9.541 4.566 1.00 0.00 C ATOM 1125 CG LYS A 72 1.409 -10.327 5.188 1.00 0.00 C ATOM 1126 CD LYS A 72 1.628 -11.720 4.570 1.00 0.00 C ATOM 1127 CE LYS A 72 0.711 -12.808 5.151 1.00 0.00 C ATOM 1128 NZ LYS A 72 1.072 -14.156 4.668 1.00 0.00 N ATOM 0 H LYS A 72 -2.593 -8.706 4.131 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.137 -10.832 5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.217 -9.756 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.453 -8.477 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.324 -9.745 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.228 -10.440 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.467 -11.659 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.667 -12.015 4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.768 -12.786 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.323 -12.592 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.428 -14.858 5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.993 -14.186 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.050 -14.374 4.947 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.007 -9.062 7.469 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.278 -8.222 8.630 1.00 0.00 C ATOM 1144 C ILE A 73 -0.123 -8.395 9.622 1.00 0.00 C ATOM 1145 O ILE A 73 -0.273 -9.032 10.664 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.687 -8.544 9.192 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.103 -7.650 10.375 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.886 -10.023 9.568 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.466 -6.235 9.923 1.00 0.00 C ATOM 0 H ILE A 73 -0.376 -9.838 7.670 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.315 -7.162 8.377 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.345 -8.321 8.352 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.956 -8.098 10.885 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.288 -7.602 11.097 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.895 -10.168 9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.741 -10.646 8.685 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.162 -10.305 10.333 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.753 -5.639 10.789 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.605 -5.776 9.436 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.299 -6.280 9.221 1.00 0.00 H new ATOM 1161 N GLU A 74 1.062 -7.875 9.289 1.00 0.00 N ATOM 1162 CA GLU A 74 2.254 -8.115 10.099 1.00 0.00 C ATOM 1163 C GLU A 74 2.265 -7.139 11.286 1.00 0.00 C ATOM 1164 O GLU A 74 3.080 -6.224 11.366 1.00 0.00 O ATOM 1165 CB GLU A 74 3.518 -8.117 9.215 1.00 0.00 C ATOM 1166 CG GLU A 74 4.247 -9.466 9.280 1.00 0.00 C ATOM 1167 CD GLU A 74 5.325 -9.556 8.210 1.00 0.00 C ATOM 1168 OE1 GLU A 74 4.969 -10.013 7.100 1.00 0.00 O ATOM 1169 OE2 GLU A 74 6.467 -9.155 8.515 1.00 0.00 O ATOM 0 H GLU A 74 1.219 -7.289 8.469 1.00 0.00 H new ATOM 0 HA GLU A 74 2.241 -9.111 10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.242 -7.901 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.191 -7.323 9.538 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.696 -9.594 10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.531 -10.277 9.149 1.00 0.00 H new ATOM 1176 N GLY A 75 1.310 -7.326 12.202 1.00 0.00 N ATOM 1177 CA GLY A 75 1.199 -6.538 13.422 1.00 0.00 C ATOM 1178 C GLY A 75 2.458 -6.671 14.282 1.00 0.00 C ATOM 1179 O GLY A 75 3.163 -7.678 14.197 1.00 0.00 O ATOM 0 H GLY A 75 0.586 -8.039 12.111 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.038 -5.490 13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.330 -6.865 13.992 1.00 0.00 H new ATOM 1183 N ARG A 76 2.748 -5.660 15.102 1.00 0.00 N ATOM 1184 CA ARG A 76 3.952 -5.572 15.906 1.00 0.00 C ATOM 1185 C ARG A 76 3.753 -4.418 16.895 1.00 0.00 C ATOM 1186 O ARG A 76 4.743 -4.048 17.569 1.00 0.00 O ATOM 1187 CB ARG A 76 5.154 -5.291 14.994 1.00 0.00 C ATOM 1188 CG ARG A 76 6.453 -5.746 15.663 1.00 0.00 C ATOM 1189 CD ARG A 76 7.636 -4.975 15.070 1.00 0.00 C ATOM 1190 NE ARG A 76 8.876 -5.249 15.807 1.00 0.00 N ATOM 1191 CZ ARG A 76 9.169 -4.747 17.019 1.00 0.00 C ATOM 1192 NH1 ARG A 76 8.278 -3.986 17.670 1.00 0.00 N ATOM 1193 NH2 ARG A 76 10.359 -5.017 17.570 1.00 0.00 N ATOM 1194 OXT ARG A 76 2.612 -3.899 16.910 1.00 0.00 O ATOM 0 H ARG A 76 2.128 -4.859 15.223 1.00 0.00 H new ATOM 0 HA ARG A 76 4.140 -6.503 16.441 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.026 -5.810 14.044 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.207 -4.225 14.771 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.398 -5.577 16.738 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.594 -6.817 15.516 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.764 -5.251 14.023 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.425 -3.906 15.094 1.00 0.00 H new ATOM 0 HE ARG A 76 9.563 -5.863 15.369 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.372 -3.785 17.246 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.506 -3.608 18.589 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.032 -5.598 17.071 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.592 -4.642 18.489 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.017 0.460 -14.223 1.00 0.00 CU