USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 Single : A 1 GLY N :NH3+ -134:sc= 0.0303 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -167:sc=-0.00345 (180deg=-0.112) USER MOD Single : A 19 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0262) USER MOD Single : A 29 ASN : amide:sc= -0.0132 K(o=-0.013,f=-1.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.96 K(o=-3,f=-9.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 CYS SG : rot -115:sc= 0.651 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.873) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.667 -19.714 17.609 1.00 0.00 N ATOM 2 CA GLY A 1 -4.885 -19.479 16.195 1.00 0.00 C ATOM 3 C GLY A 1 -3.695 -18.818 15.527 1.00 0.00 C ATOM 4 O GLY A 1 -2.551 -19.039 15.921 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.966 -20.681 17.850 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.657 -19.599 17.828 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.222 -19.032 18.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.095 -20.427 15.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.766 -18.850 16.066 1.00 0.00 H new ATOM 8 N SER A 2 -3.965 -18.004 14.511 1.00 0.00 N ATOM 9 CA SER A 2 -2.907 -17.312 13.783 1.00 0.00 C ATOM 10 C SER A 2 -3.121 -15.802 13.821 1.00 0.00 C ATOM 11 O SER A 2 -4.178 -15.323 14.232 1.00 0.00 O ATOM 12 CB SER A 2 -2.858 -17.796 12.333 1.00 0.00 C ATOM 13 OG SER A 2 -2.342 -19.112 12.252 1.00 0.00 O ATOM 0 H SER A 2 -4.907 -17.808 14.173 1.00 0.00 H new ATOM 0 HA SER A 2 -1.957 -17.539 14.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.859 -17.768 11.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.238 -17.122 11.742 1.00 0.00 H new ATOM 0 HG SER A 2 -2.323 -19.399 11.315 1.00 0.00 H new ATOM 19 N SER A 3 -2.109 -15.057 13.389 1.00 0.00 N ATOM 20 CA SER A 3 -2.182 -13.601 13.376 1.00 0.00 C ATOM 21 C SER A 3 -2.427 -13.082 11.962 1.00 0.00 C ATOM 22 O SER A 3 -3.445 -12.447 11.690 1.00 0.00 O ATOM 23 CB SER A 3 -0.891 -12.999 13.936 1.00 0.00 C ATOM 24 OG SER A 3 -0.982 -11.588 14.020 1.00 0.00 O ATOM 0 H SER A 3 -1.228 -15.438 13.043 1.00 0.00 H new ATOM 0 HA SER A 3 -3.019 -13.298 14.006 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.691 -13.413 14.924 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.051 -13.275 13.299 1.00 0.00 H new ATOM 0 HG SER A 3 -0.146 -11.227 14.382 1.00 0.00 H new ATOM 30 N GLY A 4 -1.484 -13.357 11.067 1.00 0.00 N ATOM 31 CA GLY A 4 -1.615 -12.911 9.691 1.00 0.00 C ATOM 32 C GLY A 4 -0.280 -12.554 9.068 1.00 0.00 C ATOM 33 O GLY A 4 0.737 -12.490 9.757 1.00 0.00 O ATOM 0 H GLY A 4 -0.632 -13.880 11.269 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.089 -13.696 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.273 -12.043 9.655 1.00 0.00 H new ATOM 37 N SER A 5 -0.283 -12.323 7.758 1.00 0.00 N ATOM 38 CA SER A 5 0.938 -11.977 7.041 1.00 0.00 C ATOM 39 C SER A 5 1.360 -10.544 7.348 1.00 0.00 C ATOM 40 O SER A 5 0.524 -9.644 7.438 1.00 0.00 O ATOM 41 CB SER A 5 0.737 -12.150 5.534 1.00 0.00 C ATOM 42 OG SER A 5 1.971 -12.072 4.842 1.00 0.00 O ATOM 0 H SER A 5 -1.117 -12.369 7.173 1.00 0.00 H new ATOM 0 HA SER A 5 1.728 -12.650 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.265 -13.112 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.060 -11.380 5.164 1.00 0.00 H new ATOM 0 HG SER A 5 1.815 -12.187 3.881 1.00 0.00 H new ATOM 48 N SER A 6 2.664 -10.337 7.506 1.00 0.00 N ATOM 49 CA SER A 6 3.197 -9.014 7.807 1.00 0.00 C ATOM 50 C SER A 6 3.564 -8.273 6.523 1.00 0.00 C ATOM 51 O SER A 6 4.689 -8.375 6.035 1.00 0.00 O ATOM 52 CB SER A 6 4.425 -9.129 8.711 1.00 0.00 C ATOM 53 OG SER A 6 4.079 -9.673 9.972 1.00 0.00 O ATOM 0 H SER A 6 3.370 -11.069 7.430 1.00 0.00 H new ATOM 0 HA SER A 6 2.425 -8.447 8.327 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.175 -9.759 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.874 -8.145 8.846 1.00 0.00 H new ATOM 0 HG SER A 6 4.881 -9.738 10.531 1.00 0.00 H new ATOM 59 N GLY A 7 2.606 -7.526 5.984 1.00 0.00 N ATOM 60 CA GLY A 7 2.847 -6.779 4.763 1.00 0.00 C ATOM 61 C GLY A 7 1.582 -6.566 3.956 1.00 0.00 C ATOM 62 O GLY A 7 0.930 -7.527 3.545 1.00 0.00 O ATOM 0 H GLY A 7 1.668 -7.425 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.283 -5.811 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.578 -7.310 4.154 1.00 0.00 H new ATOM 66 N ARG A 8 1.233 -5.304 3.728 1.00 0.00 N ATOM 67 CA ARG A 8 0.035 -4.968 2.966 1.00 0.00 C ATOM 68 C ARG A 8 0.380 -4.069 1.782 1.00 0.00 C ATOM 69 O ARG A 8 1.497 -3.563 1.678 1.00 0.00 O ATOM 70 CB ARG A 8 -0.989 -4.274 3.866 1.00 0.00 C ATOM 71 CG ARG A 8 -1.827 -5.239 4.690 1.00 0.00 C ATOM 72 CD ARG A 8 -2.944 -4.517 5.427 1.00 0.00 C ATOM 73 NE ARG A 8 -3.875 -5.448 6.056 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.727 -6.208 5.377 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.763 -6.147 4.052 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.543 -7.033 6.021 1.00 0.00 N ATOM 0 H ARG A 8 1.762 -4.497 4.060 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.396 -5.894 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.467 -3.593 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.651 -3.667 3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.253 -6.001 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.189 -5.755 5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.514 -3.865 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.486 -3.879 4.729 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.871 -5.519 7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.136 -5.516 3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.418 -6.731 3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.517 -7.084 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.196 -7.616 5.498 1.00 0.00 H new ATOM 90 N ARG A 9 -0.588 -3.876 0.892 1.00 0.00 N ATOM 91 CA ARG A 9 -0.387 -3.039 -0.285 1.00 0.00 C ATOM 92 C ARG A 9 -1.658 -2.264 -0.624 1.00 0.00 C ATOM 93 O ARG A 9 -2.768 -2.757 -0.429 1.00 0.00 O ATOM 94 CB ARG A 9 0.034 -3.896 -1.479 1.00 0.00 C ATOM 95 CG ARG A 9 1.229 -4.791 -1.196 1.00 0.00 C ATOM 96 CD ARG A 9 2.017 -5.086 -2.464 1.00 0.00 C ATOM 97 NE ARG A 9 2.749 -6.348 -2.372 1.00 0.00 N ATOM 98 CZ ARG A 9 3.665 -6.730 -3.252 1.00 0.00 C ATOM 99 NH1 ARG A 9 3.963 -5.955 -4.285 1.00 0.00 N ATOM 100 NH2 ARG A 9 4.287 -7.894 -3.101 1.00 0.00 N ATOM 0 H ARG A 9 -1.519 -4.288 0.963 1.00 0.00 H new ATOM 0 HA ARG A 9 0.405 -2.324 -0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.809 -4.516 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.271 -3.243 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.880 -4.311 -0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.888 -5.726 -0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.336 -5.123 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.718 -4.273 -2.653 1.00 0.00 H new ATOM 0 HE ARG A 9 2.544 -6.968 -1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.487 -5.061 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.668 -6.253 -4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.060 -8.494 -2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.991 -8.187 -3.778 1.00 0.00 H new ATOM 114 N ALA A 10 -1.484 -1.048 -1.132 1.00 0.00 N ATOM 115 CA ALA A 10 -2.616 -0.205 -1.500 1.00 0.00 C ATOM 116 C ALA A 10 -2.478 0.306 -2.930 1.00 0.00 C ATOM 117 O ALA A 10 -1.369 0.535 -3.413 1.00 0.00 O ATOM 118 CB ALA A 10 -2.742 0.960 -0.530 1.00 0.00 C ATOM 0 H ALA A 10 -0.571 -0.625 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.521 -0.809 -1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.591 1.581 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.896 0.578 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.830 1.556 -0.557 1.00 0.00 H new ATOM 124 N LYS A 11 -3.610 0.482 -3.602 1.00 0.00 N ATOM 125 CA LYS A 11 -3.616 0.967 -4.977 1.00 0.00 C ATOM 126 C LYS A 11 -3.953 2.454 -5.028 1.00 0.00 C ATOM 127 O LYS A 11 -4.957 2.893 -4.470 1.00 0.00 O ATOM 128 CB LYS A 11 -4.626 0.177 -5.813 1.00 0.00 C ATOM 129 CG LYS A 11 -4.555 0.483 -7.299 1.00 0.00 C ATOM 130 CD LYS A 11 -5.451 1.651 -7.672 1.00 0.00 C ATOM 131 CE LYS A 11 -6.915 1.238 -7.715 1.00 0.00 C ATOM 132 NZ LYS A 11 -7.218 0.393 -8.902 1.00 0.00 N ATOM 0 H LYS A 11 -4.536 0.296 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.618 0.824 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.456 -0.889 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.632 0.394 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.526 0.710 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.850 -0.399 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.320 2.457 -6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.154 2.043 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.165 0.690 -6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.543 2.129 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.248 0.315 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.805 0.827 -9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.813 -0.555 -8.766 1.00 0.00 H new ATOM 146 N ALA A 12 -3.104 3.225 -5.701 1.00 0.00 N ATOM 147 CA ALA A 12 -3.312 4.662 -5.827 1.00 0.00 C ATOM 148 C ALA A 12 -4.508 4.967 -6.725 1.00 0.00 C ATOM 149 O ALA A 12 -4.417 4.871 -7.950 1.00 0.00 O ATOM 150 CB ALA A 12 -2.059 5.331 -6.369 1.00 0.00 C ATOM 0 H ALA A 12 -2.266 2.878 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.524 5.062 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.229 6.404 -6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.227 5.150 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.822 4.919 -7.350 1.00 0.00 H new ATOM 156 N LEU A 13 -5.626 5.332 -6.110 1.00 0.00 N ATOM 157 CA LEU A 13 -6.840 5.650 -6.854 1.00 0.00 C ATOM 158 C LEU A 13 -6.631 6.874 -7.739 1.00 0.00 C ATOM 159 O LEU A 13 -7.348 7.074 -8.720 1.00 0.00 O ATOM 160 CB LEU A 13 -8.003 5.896 -5.891 1.00 0.00 C ATOM 161 CG LEU A 13 -8.168 4.875 -4.764 1.00 0.00 C ATOM 162 CD1 LEU A 13 -9.086 5.419 -3.681 1.00 0.00 C ATOM 163 CD2 LEU A 13 -8.702 3.560 -5.310 1.00 0.00 C ATOM 0 H LEU A 13 -5.718 5.415 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.079 4.799 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.877 6.883 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.927 5.923 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.189 4.690 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.191 4.679 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.660 6.334 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.065 5.635 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.813 2.846 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.671 3.728 -5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.005 3.163 -6.048 1.00 0.00 H new ATOM 175 N LEU A 14 -5.645 7.691 -7.387 1.00 0.00 N ATOM 176 CA LEU A 14 -5.339 8.896 -8.150 1.00 0.00 C ATOM 177 C LEU A 14 -3.865 9.266 -8.018 1.00 0.00 C ATOM 178 O LEU A 14 -3.134 8.668 -7.228 1.00 0.00 O ATOM 179 CB LEU A 14 -6.212 10.060 -7.676 1.00 0.00 C ATOM 180 CG LEU A 14 -5.975 10.536 -6.243 1.00 0.00 C ATOM 181 CD1 LEU A 14 -6.445 11.972 -6.074 1.00 0.00 C ATOM 182 CD2 LEU A 14 -6.681 9.622 -5.253 1.00 0.00 C ATOM 0 H LEU A 14 -5.043 7.541 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.551 8.694 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.055 10.903 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.257 9.767 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.905 10.499 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.269 12.294 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.894 12.618 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.510 12.035 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.501 9.977 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.752 9.626 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.296 8.607 -5.356 1.00 0.00 H new ATOM 194 N ASP A 15 -3.435 10.255 -8.795 1.00 0.00 N ATOM 195 CA ASP A 15 -2.050 10.707 -8.763 1.00 0.00 C ATOM 196 C ASP A 15 -1.798 11.601 -7.554 1.00 0.00 C ATOM 197 O ASP A 15 -2.684 12.335 -7.116 1.00 0.00 O ATOM 198 CB ASP A 15 -1.706 11.457 -10.050 1.00 0.00 C ATOM 199 CG ASP A 15 -0.635 12.509 -9.837 1.00 0.00 C ATOM 200 OD1 ASP A 15 -0.941 13.550 -9.216 1.00 0.00 O ATOM 201 OD2 ASP A 15 0.507 12.293 -10.292 1.00 0.00 O ATOM 0 H ASP A 15 -4.027 10.759 -9.455 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.409 9.829 -8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.368 10.745 -10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.605 11.932 -10.442 1.00 0.00 H new ATOM 206 N PHE A 16 -0.584 11.534 -7.016 1.00 0.00 N ATOM 207 CA PHE A 16 -0.216 12.336 -5.855 1.00 0.00 C ATOM 208 C PHE A 16 1.163 12.961 -6.042 1.00 0.00 C ATOM 209 O PHE A 16 2.123 12.276 -6.398 1.00 0.00 O ATOM 210 CB PHE A 16 -0.233 11.479 -4.590 1.00 0.00 C ATOM 211 CG PHE A 16 0.275 12.196 -3.372 1.00 0.00 C ATOM 212 CD1 PHE A 16 -0.363 13.334 -2.906 1.00 0.00 C ATOM 213 CD2 PHE A 16 1.391 11.733 -2.695 1.00 0.00 C ATOM 214 CE1 PHE A 16 0.103 13.997 -1.786 1.00 0.00 C ATOM 215 CE2 PHE A 16 1.861 12.391 -1.574 1.00 0.00 C ATOM 216 CZ PHE A 16 1.217 13.526 -1.119 1.00 0.00 C ATOM 0 H PHE A 16 0.162 10.932 -7.366 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.948 13.137 -5.751 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.252 11.141 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.373 10.588 -4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.234 13.707 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.900 10.848 -3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.404 14.883 -1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.731 12.018 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.584 14.043 -0.245 1.00 0.00 H new ATOM 226 N GLU A 17 1.254 14.264 -5.800 1.00 0.00 N ATOM 227 CA GLU A 17 2.516 14.981 -5.944 1.00 0.00 C ATOM 228 C GLU A 17 3.097 15.338 -4.578 1.00 0.00 C ATOM 229 O GLU A 17 2.770 16.378 -4.005 1.00 0.00 O ATOM 230 CB GLU A 17 2.316 16.253 -6.772 1.00 0.00 C ATOM 231 CG GLU A 17 2.500 16.041 -8.266 1.00 0.00 C ATOM 232 CD GLU A 17 1.295 15.387 -8.914 1.00 0.00 C ATOM 233 OE1 GLU A 17 0.160 15.834 -8.643 1.00 0.00 O ATOM 234 OE2 GLU A 17 1.487 14.430 -9.693 1.00 0.00 O ATOM 0 H GLU A 17 0.470 14.845 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 17 3.218 14.327 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.314 16.642 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.020 17.013 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.689 17.002 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.380 15.421 -8.436 1.00 0.00 H new ATOM 241 N ARG A 18 3.958 14.468 -4.062 1.00 0.00 N ATOM 242 CA ARG A 18 4.584 14.689 -2.762 1.00 0.00 C ATOM 243 C ARG A 18 5.056 16.134 -2.626 1.00 0.00 C ATOM 244 O ARG A 18 5.884 16.603 -3.408 1.00 0.00 O ATOM 245 CB ARG A 18 5.763 13.733 -2.572 1.00 0.00 C ATOM 246 CG ARG A 18 7.052 14.223 -3.211 1.00 0.00 C ATOM 247 CD ARG A 18 8.013 13.075 -3.474 1.00 0.00 C ATOM 248 NE ARG A 18 8.908 13.356 -4.594 1.00 0.00 N ATOM 249 CZ ARG A 18 9.948 12.595 -4.914 1.00 0.00 C ATOM 250 NH1 ARG A 18 10.223 11.511 -4.203 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.716 12.917 -5.948 1.00 0.00 N ATOM 0 H ARG A 18 4.239 13.603 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 18 3.841 14.494 -1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.930 13.583 -1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.504 12.762 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.825 14.731 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.528 14.955 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.603 12.884 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.446 12.168 -3.682 1.00 0.00 H new ATOM 0 HE ARG A 18 8.724 14.183 -5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.635 11.260 -3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.022 10.928 -4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.508 13.750 -6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.514 12.331 -6.192 1.00 0.00 H new ATOM 265 N HIS A 19 4.525 16.832 -1.629 1.00 0.00 N ATOM 266 CA HIS A 19 4.892 18.224 -1.389 1.00 0.00 C ATOM 267 C HIS A 19 5.987 18.322 -0.331 1.00 0.00 C ATOM 268 O HIS A 19 6.107 19.334 0.360 1.00 0.00 O ATOM 269 CB HIS A 19 3.670 19.029 -0.951 1.00 0.00 C ATOM 270 CG HIS A 19 3.734 20.474 -1.339 1.00 0.00 C ATOM 271 ND1 HIS A 19 2.612 21.261 -1.501 1.00 0.00 N ATOM 272 CD2 HIS A 19 4.793 21.276 -1.596 1.00 0.00 C ATOM 273 CE1 HIS A 19 2.979 22.483 -1.842 1.00 0.00 C ATOM 274 NE2 HIS A 19 4.298 22.519 -1.907 1.00 0.00 N ATOM 0 H HIS A 19 3.839 16.458 -0.973 1.00 0.00 H new ATOM 0 HA HIS A 19 5.274 18.639 -2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.776 18.583 -1.388 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.566 18.956 0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.834 20.992 -1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.314 23.312 -2.035 1.00 0.00 H new ATOM 0 HE2 HIS A 19 4.858 23.337 -2.149 1.00 0.00 H new ATOM 283 N ASP A 20 6.782 17.264 -0.209 1.00 0.00 N ATOM 284 CA ASP A 20 7.866 17.232 0.766 1.00 0.00 C ATOM 285 C ASP A 20 8.849 16.109 0.447 1.00 0.00 C ATOM 286 O ASP A 20 8.450 15.022 0.029 1.00 0.00 O ATOM 287 CB ASP A 20 7.307 17.051 2.177 1.00 0.00 C ATOM 288 CG ASP A 20 6.822 18.355 2.781 1.00 0.00 C ATOM 289 OD1 ASP A 20 7.587 19.343 2.749 1.00 0.00 O ATOM 290 OD2 ASP A 20 5.679 18.388 3.282 1.00 0.00 O ATOM 0 H ASP A 20 6.696 16.418 -0.773 1.00 0.00 H new ATOM 0 HA ASP A 20 8.397 18.183 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.483 16.338 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.078 16.622 2.817 1.00 0.00 H new ATOM 295 N ASP A 21 10.134 16.381 0.649 1.00 0.00 N ATOM 296 CA ASP A 21 11.174 15.393 0.383 1.00 0.00 C ATOM 297 C ASP A 21 10.833 14.055 1.031 1.00 0.00 C ATOM 298 O ASP A 21 11.188 12.995 0.515 1.00 0.00 O ATOM 299 CB ASP A 21 12.524 15.893 0.898 1.00 0.00 C ATOM 300 CG ASP A 21 12.759 17.358 0.580 1.00 0.00 C ATOM 301 OD1 ASP A 21 12.699 17.723 -0.611 1.00 0.00 O ATOM 302 OD2 ASP A 21 13.002 18.137 1.526 1.00 0.00 O ATOM 0 H ASP A 21 10.480 17.276 0.995 1.00 0.00 H new ATOM 0 HA ASP A 21 11.235 15.248 -0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.575 15.746 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.322 15.296 0.456 1.00 0.00 H new ATOM 307 N ASP A 22 10.143 14.113 2.165 1.00 0.00 N ATOM 308 CA ASP A 22 9.752 12.905 2.883 1.00 0.00 C ATOM 309 C ASP A 22 8.501 12.288 2.269 1.00 0.00 C ATOM 310 O ASP A 22 8.417 11.072 2.098 1.00 0.00 O ATOM 311 CB ASP A 22 9.508 13.222 4.361 1.00 0.00 C ATOM 312 CG ASP A 22 10.799 13.397 5.136 1.00 0.00 C ATOM 313 OD1 ASP A 22 11.379 12.377 5.562 1.00 0.00 O ATOM 314 OD2 ASP A 22 11.229 14.555 5.318 1.00 0.00 O ATOM 0 H ASP A 22 9.843 14.982 2.606 1.00 0.00 H new ATOM 0 HA ASP A 22 10.566 12.185 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.913 14.132 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.924 12.419 4.810 1.00 0.00 H new ATOM 319 N GLU A 23 7.529 13.133 1.942 1.00 0.00 N ATOM 320 CA GLU A 23 6.279 12.668 1.348 1.00 0.00 C ATOM 321 C GLU A 23 6.551 11.725 0.180 1.00 0.00 C ATOM 322 O GLU A 23 7.441 11.967 -0.635 1.00 0.00 O ATOM 323 CB GLU A 23 5.441 13.857 0.875 1.00 0.00 C ATOM 324 CG GLU A 23 4.675 14.546 1.992 1.00 0.00 C ATOM 325 CD GLU A 23 3.314 13.923 2.236 1.00 0.00 C ATOM 326 OE1 GLU A 23 3.261 12.707 2.520 1.00 0.00 O ATOM 327 OE2 GLU A 23 2.303 14.651 2.142 1.00 0.00 O ATOM 0 H GLU A 23 7.582 14.143 2.078 1.00 0.00 H new ATOM 0 HA GLU A 23 5.723 12.123 2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.096 14.583 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.734 13.515 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.261 14.502 2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.549 15.600 1.745 1.00 0.00 H new ATOM 334 N LEU A 24 5.777 10.648 0.105 1.00 0.00 N ATOM 335 CA LEU A 24 5.932 9.666 -0.963 1.00 0.00 C ATOM 336 C LEU A 24 4.947 9.935 -2.096 1.00 0.00 C ATOM 337 O LEU A 24 3.739 9.767 -1.935 1.00 0.00 O ATOM 338 CB LEU A 24 5.726 8.252 -0.417 1.00 0.00 C ATOM 339 CG LEU A 24 5.955 7.111 -1.408 1.00 0.00 C ATOM 340 CD1 LEU A 24 7.404 7.082 -1.866 1.00 0.00 C ATOM 341 CD2 LEU A 24 5.564 5.778 -0.785 1.00 0.00 C ATOM 0 H LEU A 24 5.035 10.432 0.771 1.00 0.00 H new ATOM 0 HA LEU A 24 6.944 9.752 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.396 8.110 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.708 8.176 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 24 5.324 7.282 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.546 6.263 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.651 8.026 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.055 6.936 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.733 4.977 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.168 5.601 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.510 5.801 -0.509 1.00 0.00 H new ATOM 353 N GLY A 25 5.473 10.352 -3.245 1.00 0.00 N ATOM 354 CA GLY A 25 4.627 10.635 -4.388 1.00 0.00 C ATOM 355 C GLY A 25 4.369 9.404 -5.237 1.00 0.00 C ATOM 356 O GLY A 25 5.201 8.500 -5.300 1.00 0.00 O ATOM 0 H GLY A 25 6.470 10.498 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.676 11.039 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.096 11.404 -5.002 1.00 0.00 H new ATOM 360 N PHE A 26 3.213 9.370 -5.890 1.00 0.00 N ATOM 361 CA PHE A 26 2.847 8.242 -6.737 1.00 0.00 C ATOM 362 C PHE A 26 1.943 8.691 -7.882 1.00 0.00 C ATOM 363 O PHE A 26 1.651 9.878 -8.027 1.00 0.00 O ATOM 364 CB PHE A 26 2.143 7.164 -5.911 1.00 0.00 C ATOM 365 CG PHE A 26 1.251 7.718 -4.836 1.00 0.00 C ATOM 366 CD1 PHE A 26 1.773 8.091 -3.609 1.00 0.00 C ATOM 367 CD2 PHE A 26 -0.109 7.867 -5.057 1.00 0.00 C ATOM 368 CE1 PHE A 26 0.954 8.601 -2.618 1.00 0.00 C ATOM 369 CE2 PHE A 26 -0.933 8.377 -4.071 1.00 0.00 C ATOM 370 CZ PHE A 26 -0.400 8.746 -2.850 1.00 0.00 C ATOM 0 H PHE A 26 2.513 10.111 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 26 3.762 7.827 -7.161 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.550 6.537 -6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.894 6.521 -5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.831 7.982 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.530 7.582 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.373 8.886 -1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.992 8.487 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.041 9.147 -2.079 1.00 0.00 H new ATOM 380 N ARG A 27 1.504 7.733 -8.691 1.00 0.00 N ATOM 381 CA ARG A 27 0.634 8.029 -9.824 1.00 0.00 C ATOM 382 C ARG A 27 -0.616 7.155 -9.793 1.00 0.00 C ATOM 383 O ARG A 27 -0.696 6.192 -9.030 1.00 0.00 O ATOM 384 CB ARG A 27 1.386 7.816 -11.139 1.00 0.00 C ATOM 385 CG ARG A 27 2.442 8.873 -11.416 1.00 0.00 C ATOM 386 CD ARG A 27 1.856 10.070 -12.146 1.00 0.00 C ATOM 387 NE ARG A 27 2.650 11.278 -11.941 1.00 0.00 N ATOM 388 CZ ARG A 27 2.473 12.400 -12.632 1.00 0.00 C ATOM 389 NH1 ARG A 27 1.535 12.466 -13.566 1.00 0.00 N ATOM 390 NH2 ARG A 27 3.237 13.457 -12.389 1.00 0.00 N ATOM 0 H ARG A 27 1.736 6.746 -8.584 1.00 0.00 H new ATOM 0 HA ARG A 27 0.328 9.073 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.862 6.836 -11.121 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.669 7.807 -11.960 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.885 9.201 -10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.244 8.439 -12.013 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.797 9.851 -13.212 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.837 10.243 -11.800 1.00 0.00 H new ATOM 0 HE ARG A 27 3.380 11.260 -11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.947 11.655 -13.756 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.401 13.328 -14.095 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.961 13.409 -11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.101 14.318 -12.919 1.00 0.00 H new ATOM 404 N LYS A 28 -1.593 7.499 -10.625 1.00 0.00 N ATOM 405 CA LYS A 28 -2.840 6.748 -10.695 1.00 0.00 C ATOM 406 C LYS A 28 -2.580 5.298 -11.089 1.00 0.00 C ATOM 407 O LYS A 28 -1.751 5.019 -11.955 1.00 0.00 O ATOM 408 CB LYS A 28 -3.796 7.396 -11.699 1.00 0.00 C ATOM 409 CG LYS A 28 -5.171 6.753 -11.735 1.00 0.00 C ATOM 410 CD LYS A 28 -6.087 7.447 -12.728 1.00 0.00 C ATOM 411 CE LYS A 28 -7.548 7.301 -12.334 1.00 0.00 C ATOM 412 NZ LYS A 28 -7.967 5.874 -12.271 1.00 0.00 N ATOM 0 H LYS A 28 -1.545 8.295 -11.261 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.298 6.762 -9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.905 8.452 -11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.354 7.344 -12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.074 5.701 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.617 6.790 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.828 8.504 -12.786 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.933 7.027 -13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.711 7.770 -11.364 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.172 7.831 -13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.996 5.820 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.711 5.398 -13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.486 5.406 -11.476 1.00 0.00 H new ATOM 426 N ASN A 29 -3.295 4.378 -10.448 1.00 0.00 N ATOM 427 CA ASN A 29 -3.141 2.955 -10.732 1.00 0.00 C ATOM 428 C ASN A 29 -1.725 2.486 -10.411 1.00 0.00 C ATOM 429 O ASN A 29 -1.114 1.748 -11.183 1.00 0.00 O ATOM 430 CB ASN A 29 -3.463 2.670 -12.201 1.00 0.00 C ATOM 431 CG ASN A 29 -4.942 2.810 -12.506 1.00 0.00 C ATOM 432 OD1 ASN A 29 -5.773 2.851 -11.599 1.00 0.00 O ATOM 433 ND2 ASN A 29 -5.277 2.883 -13.788 1.00 0.00 N ATOM 0 H ASN A 29 -3.986 4.592 -9.729 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.839 2.406 -10.100 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.898 3.355 -12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.137 1.661 -12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.257 2.977 -14.054 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.554 2.845 -14.507 1.00 0.00 H new ATOM 440 N ASP A 30 -1.211 2.920 -9.265 1.00 0.00 N ATOM 441 CA ASP A 30 0.133 2.542 -8.839 1.00 0.00 C ATOM 442 C ASP A 30 0.090 1.795 -7.510 1.00 0.00 C ATOM 443 O ASP A 30 -0.594 2.210 -6.575 1.00 0.00 O ATOM 444 CB ASP A 30 1.018 3.782 -8.713 1.00 0.00 C ATOM 445 CG ASP A 30 1.368 4.383 -10.061 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.457 4.918 -10.726 1.00 0.00 O ATOM 447 OD2 ASP A 30 2.554 4.317 -10.449 1.00 0.00 O ATOM 0 H ASP A 30 -1.703 3.533 -8.615 1.00 0.00 H new ATOM 0 HA ASP A 30 0.555 1.880 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.507 4.530 -8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.935 3.518 -8.187 1.00 0.00 H new ATOM 452 N ILE A 31 0.828 0.691 -7.434 1.00 0.00 N ATOM 453 CA ILE A 31 0.875 -0.113 -6.220 1.00 0.00 C ATOM 454 C ILE A 31 2.033 0.313 -5.323 1.00 0.00 C ATOM 455 O ILE A 31 3.176 0.403 -5.770 1.00 0.00 O ATOM 456 CB ILE A 31 1.015 -1.612 -6.542 1.00 0.00 C ATOM 457 CG1 ILE A 31 -0.103 -2.061 -7.486 1.00 0.00 C ATOM 458 CG2 ILE A 31 0.997 -2.434 -5.263 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.492 -1.800 -6.944 1.00 0.00 C ATOM 0 H ILE A 31 1.401 0.334 -8.199 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.067 0.051 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 31 1.971 -1.772 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.009 -1.546 -8.440 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.006 -3.127 -7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.097 -3.491 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.826 -2.130 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.055 -2.271 -4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.234 -2.143 -7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.623 -2.337 -6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.620 -0.731 -6.772 1.00 0.00 H new ATOM 471 N ILE A 32 1.728 0.570 -4.055 1.00 0.00 N ATOM 472 CA ILE A 32 2.744 0.984 -3.094 1.00 0.00 C ATOM 473 C ILE A 32 2.759 0.061 -1.881 1.00 0.00 C ATOM 474 O ILE A 32 1.732 -0.152 -1.236 1.00 0.00 O ATOM 475 CB ILE A 32 2.516 2.431 -2.622 1.00 0.00 C ATOM 476 CG1 ILE A 32 2.501 3.386 -3.819 1.00 0.00 C ATOM 477 CG2 ILE A 32 3.591 2.839 -1.626 1.00 0.00 C ATOM 478 CD1 ILE A 32 1.639 4.609 -3.605 1.00 0.00 C ATOM 0 H ILE A 32 0.786 0.499 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 32 3.705 0.925 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 32 1.547 2.486 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.522 3.704 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.144 2.849 -4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.416 3.865 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.558 2.175 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.570 2.770 -2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.676 5.240 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.610 4.301 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.009 5.169 -2.746 1.00 0.00 H new ATOM 490 N THR A 33 3.933 -0.483 -1.573 1.00 0.00 N ATOM 491 CA THR A 33 4.083 -1.382 -0.436 1.00 0.00 C ATOM 492 C THR A 33 3.988 -0.621 0.883 1.00 0.00 C ATOM 493 O THR A 33 4.571 0.453 1.033 1.00 0.00 O ATOM 494 CB THR A 33 5.428 -2.132 -0.488 1.00 0.00 C ATOM 495 OG1 THR A 33 5.509 -2.909 -1.687 1.00 0.00 O ATOM 496 CG2 THR A 33 5.587 -3.040 0.723 1.00 0.00 C ATOM 0 H THR A 33 4.793 -0.316 -2.095 1.00 0.00 H new ATOM 0 HA THR A 33 3.269 -2.105 -0.494 1.00 0.00 H new ATOM 0 HB THR A 33 6.231 -1.395 -0.479 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.367 -3.381 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.544 -3.559 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.553 -2.442 1.633 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.778 -3.770 0.739 1.00 0.00 H new ATOM 504 N ILE A 34 3.252 -1.186 1.834 1.00 0.00 N ATOM 505 CA ILE A 34 3.083 -0.561 3.139 1.00 0.00 C ATOM 506 C ILE A 34 4.063 -1.139 4.156 1.00 0.00 C ATOM 507 O ILE A 34 3.968 -2.311 4.525 1.00 0.00 O ATOM 508 CB ILE A 34 1.648 -0.739 3.666 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.640 -0.154 2.676 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.499 -0.084 5.032 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.798 -0.291 3.123 1.00 0.00 C ATOM 0 H ILE A 34 2.764 -2.075 1.725 1.00 0.00 H new ATOM 0 HA ILE A 34 3.284 0.502 3.009 1.00 0.00 H new ATOM 0 HB ILE A 34 1.447 -1.805 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.865 0.901 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.761 -0.649 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.479 -0.219 5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.194 -0.544 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.717 0.981 4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.456 0.146 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.041 -1.346 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.935 0.228 4.071 1.00 0.00 H new ATOM 523 N ILE A 35 4.999 -0.312 4.605 1.00 0.00 N ATOM 524 CA ILE A 35 5.993 -0.739 5.581 1.00 0.00 C ATOM 525 C ILE A 35 5.478 -0.559 7.004 1.00 0.00 C ATOM 526 O ILE A 35 5.312 -1.528 7.745 1.00 0.00 O ATOM 527 CB ILE A 35 7.311 0.039 5.421 1.00 0.00 C ATOM 528 CG1 ILE A 35 7.796 -0.030 3.972 1.00 0.00 C ATOM 529 CG2 ILE A 35 8.370 -0.510 6.365 1.00 0.00 C ATOM 530 CD1 ILE A 35 8.257 -1.409 3.554 1.00 0.00 C ATOM 0 H ILE A 35 5.090 0.660 4.308 1.00 0.00 H new ATOM 0 HA ILE A 35 6.182 -1.797 5.397 1.00 0.00 H new ATOM 0 HB ILE A 35 7.131 1.083 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.990 0.290 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.617 0.675 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.296 0.051 6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.025 -0.414 7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.549 -1.561 6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.587 -1.383 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.084 -1.724 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.432 -2.115 3.655 1.00 0.00 H new ATOM 542 N SER A 36 5.225 0.690 7.383 1.00 0.00 N ATOM 543 CA SER A 36 4.731 1.000 8.720 1.00 0.00 C ATOM 544 C SER A 36 3.546 1.957 8.652 1.00 0.00 C ATOM 545 O SER A 36 3.330 2.625 7.640 1.00 0.00 O ATOM 546 CB SER A 36 5.846 1.612 9.568 1.00 0.00 C ATOM 547 OG SER A 36 5.669 1.304 10.941 1.00 0.00 O ATOM 0 H SER A 36 5.354 1.504 6.782 1.00 0.00 H new ATOM 0 HA SER A 36 4.400 0.071 9.183 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.812 1.238 9.229 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.858 2.694 9.433 1.00 0.00 H new ATOM 0 HG SER A 36 6.395 1.705 11.462 1.00 0.00 H new ATOM 553 N GLN A 37 2.779 2.017 9.736 1.00 0.00 N ATOM 554 CA GLN A 37 1.614 2.891 9.801 1.00 0.00 C ATOM 555 C GLN A 37 1.766 3.920 10.916 1.00 0.00 C ATOM 556 O GLN A 37 1.231 3.748 12.011 1.00 0.00 O ATOM 557 CB GLN A 37 0.343 2.068 10.019 1.00 0.00 C ATOM 558 CG GLN A 37 0.171 0.937 9.018 1.00 0.00 C ATOM 559 CD GLN A 37 -0.059 1.439 7.606 1.00 0.00 C ATOM 560 OE1 GLN A 37 0.793 2.114 7.027 1.00 0.00 O ATOM 561 NE2 GLN A 37 -1.215 1.110 7.042 1.00 0.00 N ATOM 0 H GLN A 37 2.944 1.470 10.581 1.00 0.00 H new ATOM 0 HA GLN A 37 1.536 3.421 8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.358 1.651 11.026 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.522 2.729 9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.058 0.304 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.671 0.314 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.893 0.549 7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.425 1.418 6.093 1.00 0.00 H new ATOM 570 N LYS A 38 2.499 4.991 10.631 1.00 0.00 N ATOM 571 CA LYS A 38 2.721 6.049 11.609 1.00 0.00 C ATOM 572 C LYS A 38 1.411 6.461 12.272 1.00 0.00 C ATOM 573 O LYS A 38 1.325 6.546 13.497 1.00 0.00 O ATOM 574 CB LYS A 38 3.370 7.263 10.940 1.00 0.00 C ATOM 575 CG LYS A 38 4.854 7.089 10.671 1.00 0.00 C ATOM 576 CD LYS A 38 5.590 8.418 10.716 1.00 0.00 C ATOM 577 CE LYS A 38 5.437 9.183 9.411 1.00 0.00 C ATOM 578 NZ LYS A 38 5.950 10.578 9.522 1.00 0.00 N ATOM 0 H LYS A 38 2.950 5.149 9.730 1.00 0.00 H new ATOM 0 HA LYS A 38 3.391 5.664 12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.860 7.464 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.224 8.138 11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.281 6.411 11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.996 6.627 9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.206 9.020 11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.647 8.243 10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.973 8.661 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.386 9.204 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.828 11.066 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.421 11.085 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.959 10.558 9.771 1.00 0.00 H new ATOM 592 N ASP A 39 0.393 6.713 11.457 1.00 0.00 N ATOM 593 CA ASP A 39 -0.913 7.114 11.965 1.00 0.00 C ATOM 594 C ASP A 39 -2.027 6.328 11.280 1.00 0.00 C ATOM 595 O ASP A 39 -1.763 5.432 10.478 1.00 0.00 O ATOM 596 CB ASP A 39 -1.128 8.614 11.756 1.00 0.00 C ATOM 597 CG ASP A 39 -0.101 9.454 12.492 1.00 0.00 C ATOM 598 OD1 ASP A 39 -0.280 9.679 13.708 1.00 0.00 O ATOM 599 OD2 ASP A 39 0.881 9.884 11.853 1.00 0.00 O ATOM 0 H ASP A 39 0.447 6.647 10.441 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.942 6.896 13.033 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.082 8.840 10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.127 8.886 12.097 1.00 0.00 H new ATOM 604 N GLU A 40 -3.270 6.671 11.601 1.00 0.00 N ATOM 605 CA GLU A 40 -4.424 5.995 11.017 1.00 0.00 C ATOM 606 C GLU A 40 -4.690 6.499 9.603 1.00 0.00 C ATOM 607 O GLU A 40 -5.086 5.735 8.722 1.00 0.00 O ATOM 608 CB GLU A 40 -5.662 6.209 11.890 1.00 0.00 C ATOM 609 CG GLU A 40 -5.766 5.233 13.049 1.00 0.00 C ATOM 610 CD GLU A 40 -7.125 5.268 13.720 1.00 0.00 C ATOM 611 OE1 GLU A 40 -7.465 6.306 14.324 1.00 0.00 O ATOM 612 OE2 GLU A 40 -7.851 4.253 13.641 1.00 0.00 O ATOM 0 H GLU A 40 -3.505 7.412 12.261 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.204 4.929 10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.648 7.226 12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.554 6.119 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.569 4.224 12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.996 5.465 13.785 1.00 0.00 H new ATOM 619 N HIS A 41 -4.472 7.794 9.390 1.00 0.00 N ATOM 620 CA HIS A 41 -4.688 8.401 8.083 1.00 0.00 C ATOM 621 C HIS A 41 -3.387 8.457 7.287 1.00 0.00 C ATOM 622 O HIS A 41 -3.387 8.302 6.066 1.00 0.00 O ATOM 623 CB HIS A 41 -5.265 9.808 8.240 1.00 0.00 C ATOM 624 CG HIS A 41 -6.740 9.826 8.501 1.00 0.00 C ATOM 625 ND1 HIS A 41 -7.676 10.062 7.516 1.00 0.00 N ATOM 626 CD2 HIS A 41 -7.438 9.633 9.644 1.00 0.00 C ATOM 627 CE1 HIS A 41 -8.886 10.016 8.044 1.00 0.00 C ATOM 628 NE2 HIS A 41 -8.770 9.756 9.333 1.00 0.00 N ATOM 0 H HIS A 41 -4.146 8.442 10.107 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.400 7.783 7.536 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.753 10.312 9.060 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.058 10.380 7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.025 9.422 10.619 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -9.813 10.166 7.511 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -9.544 9.662 9.991 1.00 0.00 H new ATOM 637 N CYS A 42 -2.281 8.683 7.987 1.00 0.00 N ATOM 638 CA CYS A 42 -0.973 8.761 7.346 1.00 0.00 C ATOM 639 C CYS A 42 -0.236 7.429 7.449 1.00 0.00 C ATOM 640 O CYS A 42 0.083 6.969 8.545 1.00 0.00 O ATOM 641 CB CYS A 42 -0.135 9.871 7.984 1.00 0.00 C ATOM 642 SG CYS A 42 -0.881 11.514 7.873 1.00 0.00 S ATOM 0 H CYS A 42 -2.264 8.815 8.998 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.126 8.990 6.291 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.031 9.629 9.034 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.843 9.895 7.504 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.133 12.281 7.136 1.00 0.00 H new ATOM 648 N TRP A 43 0.027 6.816 6.301 1.00 0.00 N ATOM 649 CA TRP A 43 0.725 5.536 6.261 1.00 0.00 C ATOM 650 C TRP A 43 2.075 5.673 5.566 1.00 0.00 C ATOM 651 O TRP A 43 2.279 6.577 4.755 1.00 0.00 O ATOM 652 CB TRP A 43 -0.129 4.489 5.541 1.00 0.00 C ATOM 653 CG TRP A 43 -1.379 4.129 6.286 1.00 0.00 C ATOM 654 CD1 TRP A 43 -1.647 4.370 7.603 1.00 0.00 C ATOM 655 CD2 TRP A 43 -2.529 3.460 5.756 1.00 0.00 C ATOM 656 NE1 TRP A 43 -2.895 3.891 7.924 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.456 3.330 6.808 1.00 0.00 C ATOM 658 CE3 TRP A 43 -2.865 2.959 4.495 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -4.696 2.720 6.636 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -4.097 2.354 4.327 1.00 0.00 C ATOM 661 CH2 TRP A 43 -5.000 2.239 5.391 1.00 0.00 C ATOM 0 H TRP A 43 -0.232 7.184 5.386 1.00 0.00 H new ATOM 0 HA TRP A 43 0.897 5.212 7.287 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.398 4.866 4.554 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.466 3.589 5.387 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.977 4.864 8.291 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.332 3.945 8.844 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.176 3.043 3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.393 2.630 7.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.368 1.963 3.357 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.955 1.762 5.226 1.00 0.00 H new ATOM 672 N VAL A 44 2.995 4.770 5.889 1.00 0.00 N ATOM 673 CA VAL A 44 4.327 4.789 5.296 1.00 0.00 C ATOM 674 C VAL A 44 4.554 3.567 4.414 1.00 0.00 C ATOM 675 O VAL A 44 4.457 2.430 4.874 1.00 0.00 O ATOM 676 CB VAL A 44 5.423 4.840 6.376 1.00 0.00 C ATOM 677 CG1 VAL A 44 6.804 4.834 5.738 1.00 0.00 C ATOM 678 CG2 VAL A 44 5.242 6.062 7.262 1.00 0.00 C ATOM 0 H VAL A 44 2.842 4.016 6.558 1.00 0.00 H new ATOM 0 HA VAL A 44 4.388 5.690 4.686 1.00 0.00 H new ATOM 0 HB VAL A 44 5.334 3.951 7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.565 4.870 6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.929 3.924 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.908 5.703 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.026 6.081 8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.303 6.965 6.654 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.268 6.017 7.749 1.00 0.00 H new ATOM 688 N GLY A 45 4.855 3.810 3.141 1.00 0.00 N ATOM 689 CA GLY A 45 5.091 2.717 2.214 1.00 0.00 C ATOM 690 C GLY A 45 6.384 2.884 1.441 1.00 0.00 C ATOM 691 O GLY A 45 7.200 3.749 1.761 1.00 0.00 O ATOM 0 H GLY A 45 4.940 4.742 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.119 1.777 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.258 2.652 1.514 1.00 0.00 H new ATOM 695 N GLU A 46 6.572 2.052 0.421 1.00 0.00 N ATOM 696 CA GLU A 46 7.779 2.109 -0.398 1.00 0.00 C ATOM 697 C GLU A 46 7.426 2.152 -1.882 1.00 0.00 C ATOM 698 O GLU A 46 6.530 1.440 -2.341 1.00 0.00 O ATOM 699 CB GLU A 46 8.676 0.904 -0.109 1.00 0.00 C ATOM 700 CG GLU A 46 10.091 1.057 -0.642 1.00 0.00 C ATOM 701 CD GLU A 46 10.167 0.902 -2.148 1.00 0.00 C ATOM 702 OE1 GLU A 46 9.586 -0.072 -2.673 1.00 0.00 O ATOM 703 OE2 GLU A 46 10.808 1.751 -2.801 1.00 0.00 O ATOM 0 H GLU A 46 5.906 1.332 0.142 1.00 0.00 H new ATOM 0 HA GLU A 46 8.318 3.022 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.718 0.743 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.226 0.013 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.477 2.037 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.735 0.314 -0.171 1.00 0.00 H new ATOM 710 N LEU A 47 8.135 2.991 -2.629 1.00 0.00 N ATOM 711 CA LEU A 47 7.898 3.127 -4.061 1.00 0.00 C ATOM 712 C LEU A 47 9.037 3.888 -4.732 1.00 0.00 C ATOM 713 O LEU A 47 9.657 4.760 -4.124 1.00 0.00 O ATOM 714 CB LEU A 47 6.572 3.847 -4.313 1.00 0.00 C ATOM 715 CG LEU A 47 6.086 3.872 -5.763 1.00 0.00 C ATOM 716 CD1 LEU A 47 5.353 2.584 -6.102 1.00 0.00 C ATOM 717 CD2 LEU A 47 5.189 5.078 -6.004 1.00 0.00 C ATOM 0 H LEU A 47 8.879 3.587 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 47 7.850 2.127 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.803 3.375 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.668 4.876 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 47 6.955 3.954 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.014 2.620 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.026 1.737 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.492 2.471 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.852 5.080 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.325 5.027 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.747 5.992 -5.802 1.00 0.00 H new ATOM 729 N ASN A 48 9.308 3.553 -5.990 1.00 0.00 N ATOM 730 CA ASN A 48 10.371 4.205 -6.743 1.00 0.00 C ATOM 731 C ASN A 48 11.652 4.288 -5.917 1.00 0.00 C ATOM 732 O ASN A 48 12.391 5.269 -5.993 1.00 0.00 O ATOM 733 CB ASN A 48 9.936 5.607 -7.170 1.00 0.00 C ATOM 734 CG ASN A 48 8.943 5.580 -8.318 1.00 0.00 C ATOM 735 OD1 ASN A 48 9.254 5.107 -9.411 1.00 0.00 O ATOM 736 ND2 ASN A 48 7.742 6.089 -8.072 1.00 0.00 N ATOM 0 H ASN A 48 8.805 2.833 -6.509 1.00 0.00 H new ATOM 0 HA ASN A 48 10.571 3.607 -7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.489 6.121 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.813 6.183 -7.465 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.032 6.099 -8.805 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.529 6.470 -7.150 1.00 0.00 H new ATOM 743 N GLY A 49 11.909 3.249 -5.127 1.00 0.00 N ATOM 744 CA GLY A 49 13.099 3.224 -4.299 1.00 0.00 C ATOM 745 C GLY A 49 13.079 4.289 -3.221 1.00 0.00 C ATOM 746 O GLY A 49 14.128 4.781 -2.803 1.00 0.00 O ATOM 0 H GLY A 49 11.314 2.425 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.193 2.243 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.978 3.365 -4.928 1.00 0.00 H new ATOM 750 N LEU A 50 11.882 4.649 -2.771 1.00 0.00 N ATOM 751 CA LEU A 50 11.729 5.666 -1.735 1.00 0.00 C ATOM 752 C LEU A 50 10.844 5.157 -0.601 1.00 0.00 C ATOM 753 O LEU A 50 10.054 4.231 -0.784 1.00 0.00 O ATOM 754 CB LEU A 50 11.131 6.942 -2.330 1.00 0.00 C ATOM 755 CG LEU A 50 11.763 7.434 -3.634 1.00 0.00 C ATOM 756 CD1 LEU A 50 10.968 8.597 -4.206 1.00 0.00 C ATOM 757 CD2 LEU A 50 13.213 7.839 -3.403 1.00 0.00 C ATOM 0 H LEU A 50 11.004 4.253 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 50 12.716 5.889 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.068 6.774 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.210 7.737 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 50 11.744 6.618 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.432 8.934 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.946 8.275 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.955 9.417 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.647 8.186 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.254 8.640 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.777 6.981 -3.038 1.00 0.00 H new ATOM 769 N ARG A 51 10.981 5.771 0.570 1.00 0.00 N ATOM 770 CA ARG A 51 10.194 5.382 1.733 1.00 0.00 C ATOM 771 C ARG A 51 9.783 6.607 2.546 1.00 0.00 C ATOM 772 O ARG A 51 10.618 7.258 3.171 1.00 0.00 O ATOM 773 CB ARG A 51 10.988 4.415 2.613 1.00 0.00 C ATOM 774 CG ARG A 51 10.905 2.968 2.157 1.00 0.00 C ATOM 775 CD ARG A 51 11.456 2.020 3.211 1.00 0.00 C ATOM 776 NE ARG A 51 12.906 1.872 3.111 1.00 0.00 N ATOM 777 CZ ARG A 51 13.769 2.708 3.676 1.00 0.00 C ATOM 778 NH1 ARG A 51 13.333 3.746 4.377 1.00 0.00 N ATOM 779 NH2 ARG A 51 15.074 2.507 3.541 1.00 0.00 N ATOM 0 H ARG A 51 11.630 6.540 0.738 1.00 0.00 H new ATOM 0 HA ARG A 51 9.292 4.883 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.033 4.724 2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.622 4.486 3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.868 2.712 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.462 2.845 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.197 2.391 4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.984 1.044 3.103 1.00 0.00 H new ATOM 0 HE ARG A 51 13.275 1.084 2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.331 3.905 4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.000 4.386 4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.414 1.710 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.737 3.150 3.975 1.00 0.00 H new ATOM 793 N GLY A 52 8.489 6.913 2.532 1.00 0.00 N ATOM 794 CA GLY A 52 7.990 8.059 3.271 1.00 0.00 C ATOM 795 C GLY A 52 6.534 7.908 3.660 1.00 0.00 C ATOM 796 O GLY A 52 5.968 6.818 3.562 1.00 0.00 O ATOM 0 H GLY A 52 7.778 6.388 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.591 8.197 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.110 8.958 2.666 1.00 0.00 H new ATOM 800 N TRP A 53 5.926 9.000 4.106 1.00 0.00 N ATOM 801 CA TRP A 53 4.526 8.983 4.514 1.00 0.00 C ATOM 802 C TRP A 53 3.623 9.465 3.383 1.00 0.00 C ATOM 803 O TRP A 53 4.093 10.048 2.406 1.00 0.00 O ATOM 804 CB TRP A 53 4.324 9.859 5.752 1.00 0.00 C ATOM 805 CG TRP A 53 4.383 11.328 5.459 1.00 0.00 C ATOM 806 CD1 TRP A 53 5.492 12.053 5.129 1.00 0.00 C ATOM 807 CD2 TRP A 53 3.287 12.248 5.469 1.00 0.00 C ATOM 808 NE1 TRP A 53 5.151 13.370 4.934 1.00 0.00 N ATOM 809 CE2 TRP A 53 3.804 13.516 5.137 1.00 0.00 C ATOM 810 CE3 TRP A 53 1.918 12.126 5.726 1.00 0.00 C ATOM 811 CZ2 TRP A 53 3.000 14.650 5.055 1.00 0.00 C ATOM 812 CZ3 TRP A 53 1.122 13.251 5.646 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.664 14.499 5.311 1.00 0.00 C ATOM 0 H TRP A 53 6.380 9.909 4.195 1.00 0.00 H new ATOM 0 HA TRP A 53 4.256 7.955 4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.359 9.624 6.200 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.087 9.613 6.491 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.490 11.651 5.035 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.796 14.118 4.679 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.491 11.168 5.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.415 15.613 4.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.064 13.168 5.845 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.014 15.360 5.254 1.00 0.00 H new ATOM 824 N PHE A 54 2.325 9.220 3.524 1.00 0.00 N ATOM 825 CA PHE A 54 1.356 9.628 2.512 1.00 0.00 C ATOM 826 C PHE A 54 -0.071 9.397 3.003 1.00 0.00 C ATOM 827 O PHE A 54 -0.338 8.523 3.827 1.00 0.00 O ATOM 828 CB PHE A 54 1.591 8.859 1.210 1.00 0.00 C ATOM 829 CG PHE A 54 1.367 7.379 1.340 1.00 0.00 C ATOM 830 CD1 PHE A 54 0.089 6.849 1.258 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.434 6.519 1.544 1.00 0.00 C ATOM 832 CE1 PHE A 54 -0.120 5.488 1.376 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.231 5.158 1.661 1.00 0.00 C ATOM 834 CZ PHE A 54 0.952 4.640 1.579 1.00 0.00 C ATOM 0 H PHE A 54 1.919 8.741 4.328 1.00 0.00 H new ATOM 0 HA PHE A 54 1.490 10.693 2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.928 9.253 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.612 9.036 0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.753 7.507 1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.436 6.917 1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.121 5.087 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.072 4.498 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.791 3.576 1.673 1.00 0.00 H new ATOM 844 N PRO A 55 -1.011 10.201 2.484 1.00 0.00 N ATOM 845 CA PRO A 55 -2.426 10.105 2.853 1.00 0.00 C ATOM 846 C PRO A 55 -3.079 8.834 2.321 1.00 0.00 C ATOM 847 O PRO A 55 -3.293 8.693 1.116 1.00 0.00 O ATOM 848 CB PRO A 55 -3.049 11.341 2.198 1.00 0.00 C ATOM 849 CG PRO A 55 -2.148 11.658 1.055 1.00 0.00 C ATOM 850 CD PRO A 55 -0.765 11.265 1.497 1.00 0.00 C ATOM 0 HA PRO A 55 -2.563 10.064 3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.065 11.139 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.107 12.174 2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.443 11.108 0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.192 12.718 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.163 10.907 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.230 12.106 1.938 1.00 0.00 H new ATOM 858 N ALA A 56 -3.396 7.913 3.225 1.00 0.00 N ATOM 859 CA ALA A 56 -4.027 6.656 2.845 1.00 0.00 C ATOM 860 C ALA A 56 -5.288 6.899 2.024 1.00 0.00 C ATOM 861 O ALA A 56 -5.603 6.139 1.107 1.00 0.00 O ATOM 862 CB ALA A 56 -4.352 5.833 4.083 1.00 0.00 C ATOM 0 H ALA A 56 -3.226 8.014 4.226 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.324 6.099 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.823 4.897 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.433 5.619 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.033 6.393 4.724 1.00 0.00 H new ATOM 868 N LYS A 57 -6.009 7.965 2.359 1.00 0.00 N ATOM 869 CA LYS A 57 -7.238 8.311 1.653 1.00 0.00 C ATOM 870 C LYS A 57 -6.998 8.383 0.147 1.00 0.00 C ATOM 871 O LYS A 57 -7.874 8.043 -0.648 1.00 0.00 O ATOM 872 CB LYS A 57 -7.780 9.650 2.157 1.00 0.00 C ATOM 873 CG LYS A 57 -6.754 10.770 2.136 1.00 0.00 C ATOM 874 CD LYS A 57 -7.176 11.930 3.022 1.00 0.00 C ATOM 875 CE LYS A 57 -8.095 12.890 2.282 1.00 0.00 C ATOM 876 NZ LYS A 57 -9.509 12.423 2.292 1.00 0.00 N ATOM 0 H LYS A 57 -5.763 8.604 3.115 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.973 7.531 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.634 9.940 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.146 9.524 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.790 10.388 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.620 11.122 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.684 11.547 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.292 12.465 3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.035 13.877 2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.755 12.997 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.146 13.245 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.687 11.836 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.683 11.862 3.150 1.00 0.00 H new ATOM 890 N PHE A 58 -5.805 8.825 -0.236 1.00 0.00 N ATOM 891 CA PHE A 58 -5.450 8.941 -1.647 1.00 0.00 C ATOM 892 C PHE A 58 -5.361 7.565 -2.299 1.00 0.00 C ATOM 893 O PHE A 58 -5.563 7.423 -3.506 1.00 0.00 O ATOM 894 CB PHE A 58 -4.119 9.678 -1.800 1.00 0.00 C ATOM 895 CG PHE A 58 -4.268 11.169 -1.909 1.00 0.00 C ATOM 896 CD1 PHE A 58 -4.709 11.915 -0.827 1.00 0.00 C ATOM 897 CD2 PHE A 58 -3.966 11.824 -3.091 1.00 0.00 C ATOM 898 CE1 PHE A 58 -4.848 13.286 -0.925 1.00 0.00 C ATOM 899 CE2 PHE A 58 -4.102 13.196 -3.194 1.00 0.00 C ATOM 900 CZ PHE A 58 -4.543 13.928 -2.109 1.00 0.00 C ATOM 0 H PHE A 58 -5.068 9.109 0.409 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.232 9.511 -2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.484 9.446 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.607 9.306 -2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.946 11.419 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.620 11.257 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.195 13.856 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.864 13.695 -4.122 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.649 15.000 -2.186 1.00 0.00 H new ATOM 910 N VAL A 59 -5.055 6.553 -1.494 1.00 0.00 N ATOM 911 CA VAL A 59 -4.939 5.188 -1.991 1.00 0.00 C ATOM 912 C VAL A 59 -6.006 4.285 -1.378 1.00 0.00 C ATOM 913 O VAL A 59 -6.720 4.689 -0.461 1.00 0.00 O ATOM 914 CB VAL A 59 -3.549 4.596 -1.691 1.00 0.00 C ATOM 915 CG1 VAL A 59 -2.454 5.564 -2.116 1.00 0.00 C ATOM 916 CG2 VAL A 59 -3.424 4.253 -0.214 1.00 0.00 C ATOM 0 H VAL A 59 -4.883 6.653 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.082 5.233 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.432 3.677 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.479 5.129 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.533 5.756 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.565 6.501 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.436 3.836 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.561 5.155 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.186 3.522 0.055 1.00 0.00 H new ATOM 926 N GLU A 60 -6.107 3.065 -1.891 1.00 0.00 N ATOM 927 CA GLU A 60 -7.086 2.105 -1.394 1.00 0.00 C ATOM 928 C GLU A 60 -6.413 0.793 -1.002 1.00 0.00 C ATOM 929 O GLU A 60 -5.557 0.282 -1.724 1.00 0.00 O ATOM 930 CB GLU A 60 -8.160 1.845 -2.452 1.00 0.00 C ATOM 931 CG GLU A 60 -9.172 0.786 -2.043 1.00 0.00 C ATOM 932 CD GLU A 60 -10.218 1.319 -1.084 1.00 0.00 C ATOM 933 OE1 GLU A 60 -10.658 2.473 -1.266 1.00 0.00 O ATOM 934 OE2 GLU A 60 -10.595 0.582 -0.149 1.00 0.00 O ATOM 0 H GLU A 60 -5.523 2.716 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.555 2.530 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.686 2.777 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.678 1.536 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.666 0.397 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.650 -0.050 -1.577 1.00 0.00 H new ATOM 941 N VAL A 61 -6.807 0.252 0.146 1.00 0.00 N ATOM 942 CA VAL A 61 -6.243 -0.999 0.636 1.00 0.00 C ATOM 943 C VAL A 61 -6.633 -2.166 -0.266 1.00 0.00 C ATOM 944 O VAL A 61 -7.622 -2.096 -0.997 1.00 0.00 O ATOM 945 CB VAL A 61 -6.706 -1.300 2.074 1.00 0.00 C ATOM 946 CG1 VAL A 61 -6.147 -2.632 2.547 1.00 0.00 C ATOM 947 CG2 VAL A 61 -6.293 -0.177 3.011 1.00 0.00 C ATOM 0 H VAL A 61 -7.516 0.661 0.755 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.159 -0.882 0.629 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.794 -1.367 2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.485 -2.828 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.497 -3.428 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.058 -2.597 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.628 -0.406 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.208 -0.076 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.747 0.758 2.681 1.00 0.00 H new ATOM 957 N LEU A 62 -5.851 -3.239 -0.209 1.00 0.00 N ATOM 958 CA LEU A 62 -6.113 -4.422 -1.020 1.00 0.00 C ATOM 959 C LEU A 62 -5.763 -5.695 -0.255 1.00 0.00 C ATOM 960 O LEU A 62 -4.626 -5.876 0.179 1.00 0.00 O ATOM 961 CB LEU A 62 -5.313 -4.360 -2.322 1.00 0.00 C ATOM 962 CG LEU A 62 -5.026 -2.960 -2.867 1.00 0.00 C ATOM 963 CD1 LEU A 62 -3.796 -2.977 -3.763 1.00 0.00 C ATOM 964 CD2 LEU A 62 -6.232 -2.423 -3.625 1.00 0.00 C ATOM 0 H LEU A 62 -5.030 -3.313 0.391 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.177 -4.442 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.362 -4.869 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.853 -4.921 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.828 -2.298 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.608 -1.972 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.933 -3.317 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.965 -3.654 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.009 -1.426 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.462 -3.086 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.090 -2.372 -2.955 1.00 0.00 H new ATOM 976 N ASP A 63 -6.747 -6.573 -0.097 1.00 0.00 N ATOM 977 CA ASP A 63 -6.543 -7.830 0.611 1.00 0.00 C ATOM 978 C ASP A 63 -6.069 -8.922 -0.343 1.00 0.00 C ATOM 979 O ASP A 63 -6.370 -10.100 -0.152 1.00 0.00 O ATOM 980 CB ASP A 63 -7.835 -8.267 1.304 1.00 0.00 C ATOM 981 CG ASP A 63 -7.666 -9.552 2.088 1.00 0.00 C ATOM 982 OD1 ASP A 63 -6.754 -9.613 2.939 1.00 0.00 O ATOM 983 OD2 ASP A 63 -8.446 -10.499 1.852 1.00 0.00 O ATOM 0 H ASP A 63 -7.694 -6.437 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.772 -7.671 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.169 -7.476 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.617 -8.401 0.557 1.00 0.00 H new ATOM 988 N GLU A 64 -5.329 -8.520 -1.372 1.00 0.00 N ATOM 989 CA GLU A 64 -4.817 -9.465 -2.358 1.00 0.00 C ATOM 990 C GLU A 64 -5.884 -10.487 -2.738 1.00 0.00 C ATOM 991 O GLU A 64 -5.585 -11.662 -2.958 1.00 0.00 O ATOM 992 CB GLU A 64 -3.579 -10.182 -1.814 1.00 0.00 C ATOM 993 CG GLU A 64 -2.382 -9.267 -1.621 1.00 0.00 C ATOM 994 CD GLU A 64 -1.061 -10.004 -1.730 1.00 0.00 C ATOM 995 OE1 GLU A 64 -0.746 -10.797 -0.818 1.00 0.00 O ATOM 996 OE2 GLU A 64 -0.341 -9.787 -2.728 1.00 0.00 O ATOM 0 H GLU A 64 -5.071 -7.548 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.541 -8.905 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.828 -10.646 -0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.305 -10.986 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.413 -8.472 -2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.448 -8.790 -0.643 1.00 0.00 H new ATOM 1003 N ARG A 65 -7.130 -10.033 -2.813 1.00 0.00 N ATOM 1004 CA ARG A 65 -8.243 -10.907 -3.165 1.00 0.00 C ATOM 1005 C ARG A 65 -8.238 -11.220 -4.659 1.00 0.00 C ATOM 1006 O ARG A 65 -7.349 -10.784 -5.391 1.00 0.00 O ATOM 1007 CB ARG A 65 -9.572 -10.259 -2.773 1.00 0.00 C ATOM 1008 CG ARG A 65 -9.989 -9.121 -3.690 1.00 0.00 C ATOM 1009 CD ARG A 65 -9.452 -7.786 -3.199 1.00 0.00 C ATOM 1010 NE ARG A 65 -10.117 -6.657 -3.846 1.00 0.00 N ATOM 1011 CZ ARG A 65 -10.155 -5.434 -3.331 1.00 0.00 C ATOM 1012 NH1 ARG A 65 -9.570 -5.180 -2.169 1.00 0.00 N ATOM 1013 NH2 ARG A 65 -10.780 -4.459 -3.980 1.00 0.00 N ATOM 0 H ARG A 65 -7.395 -9.064 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.126 -11.841 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.352 -11.020 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.496 -9.883 -1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.624 -9.313 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.077 -9.078 -3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.587 -7.716 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.380 -7.734 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.577 -6.817 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.088 -5.926 -1.667 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.602 -4.239 -1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.231 -4.649 -4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.809 -3.519 -3.584 1.00 0.00 H new ATOM 1027 N SER A 66 -9.235 -11.977 -5.103 1.00 0.00 N ATOM 1028 CA SER A 66 -9.343 -12.352 -6.508 1.00 0.00 C ATOM 1029 C SER A 66 -8.084 -13.074 -6.976 1.00 0.00 C ATOM 1030 O SER A 66 -7.566 -12.806 -8.061 1.00 0.00 O ATOM 1031 CB SER A 66 -9.584 -11.113 -7.371 1.00 0.00 C ATOM 1032 OG SER A 66 -10.912 -10.639 -7.225 1.00 0.00 O ATOM 0 H SER A 66 -9.980 -12.343 -4.510 1.00 0.00 H new ATOM 0 HA SER A 66 -10.190 -13.030 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.882 -10.328 -7.090 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.393 -11.352 -8.417 1.00 0.00 H new ATOM 0 HG SER A 66 -11.040 -9.845 -7.786 1.00 0.00 H new ATOM 1038 N LYS A 67 -7.594 -13.993 -6.150 1.00 0.00 N ATOM 1039 CA LYS A 67 -6.396 -14.757 -6.478 1.00 0.00 C ATOM 1040 C LYS A 67 -6.748 -16.200 -6.822 1.00 0.00 C ATOM 1041 O LYS A 67 -7.366 -16.905 -6.024 1.00 0.00 O ATOM 1042 CB LYS A 67 -5.411 -14.726 -5.307 1.00 0.00 C ATOM 1043 CG LYS A 67 -3.958 -14.843 -5.731 1.00 0.00 C ATOM 1044 CD LYS A 67 -3.457 -13.555 -6.366 1.00 0.00 C ATOM 1045 CE LYS A 67 -2.992 -12.559 -5.314 1.00 0.00 C ATOM 1046 NZ LYS A 67 -1.993 -11.601 -5.862 1.00 0.00 N ATOM 0 H LYS A 67 -8.009 -14.227 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.930 -14.298 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.546 -13.796 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.648 -15.541 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.343 -15.085 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.849 -15.665 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.634 -13.779 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.252 -13.110 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.851 -12.008 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.556 -13.097 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.701 -10.939 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.162 -12.124 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.417 -11.070 -6.649 1.00 0.00 H new ATOM 1060 N GLU A 68 -6.349 -16.633 -8.013 1.00 0.00 N ATOM 1061 CA GLU A 68 -6.622 -17.993 -8.461 1.00 0.00 C ATOM 1062 C GLU A 68 -5.649 -18.982 -7.827 1.00 0.00 C ATOM 1063 O GLU A 68 -5.083 -19.837 -8.507 1.00 0.00 O ATOM 1064 CB GLU A 68 -6.531 -18.080 -9.987 1.00 0.00 C ATOM 1065 CG GLU A 68 -5.173 -17.679 -10.539 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.977 -18.117 -11.978 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.133 -19.323 -12.258 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -4.668 -17.252 -12.823 1.00 0.00 O ATOM 0 H GLU A 68 -5.836 -16.062 -8.685 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.633 -18.253 -8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.754 -19.101 -10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.296 -17.439 -10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.064 -16.596 -10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.390 -18.116 -9.920 1.00 0.00 H new ATOM 1075 N TYR A 69 -5.457 -18.857 -6.517 1.00 0.00 N ATOM 1076 CA TYR A 69 -4.550 -19.737 -5.789 1.00 0.00 C ATOM 1077 C TYR A 69 -5.156 -20.161 -4.456 1.00 0.00 C ATOM 1078 O TYR A 69 -5.976 -19.447 -3.879 1.00 0.00 O ATOM 1079 CB TYR A 69 -3.210 -19.039 -5.556 1.00 0.00 C ATOM 1080 CG TYR A 69 -2.462 -18.718 -6.831 1.00 0.00 C ATOM 1081 CD1 TYR A 69 -2.988 -17.832 -7.761 1.00 0.00 C ATOM 1082 CD2 TYR A 69 -1.231 -19.301 -7.102 1.00 0.00 C ATOM 1083 CE1 TYR A 69 -2.309 -17.536 -8.929 1.00 0.00 C ATOM 1084 CE2 TYR A 69 -0.545 -19.010 -8.266 1.00 0.00 C ATOM 1085 CZ TYR A 69 -1.088 -18.127 -9.177 1.00 0.00 C ATOM 1086 OH TYR A 69 -0.407 -17.835 -10.336 1.00 0.00 O ATOM 0 H TYR A 69 -5.918 -18.155 -5.938 1.00 0.00 H new ATOM 0 HA TYR A 69 -4.387 -20.630 -6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.383 -18.115 -5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -2.584 -19.673 -4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.943 -17.366 -7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.803 -19.993 -6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.733 -16.846 -9.643 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.412 -19.472 -8.462 1.00 0.00 H new ATOM 0 HH TYR A 69 0.436 -18.334 -10.355 1.00 0.00 H new ATOM 1096 N SER A 70 -4.745 -21.327 -3.971 1.00 0.00 N ATOM 1097 CA SER A 70 -5.248 -21.850 -2.705 1.00 0.00 C ATOM 1098 C SER A 70 -4.107 -22.078 -1.720 1.00 0.00 C ATOM 1099 O SER A 70 -3.016 -22.501 -2.103 1.00 0.00 O ATOM 1100 CB SER A 70 -6.006 -23.159 -2.936 1.00 0.00 C ATOM 1101 OG SER A 70 -7.307 -22.912 -3.445 1.00 0.00 O ATOM 0 H SER A 70 -4.065 -21.929 -4.435 1.00 0.00 H new ATOM 0 HA SER A 70 -5.929 -21.113 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.452 -23.786 -3.635 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.077 -23.712 -1.999 1.00 0.00 H new ATOM 0 HG SER A 70 -7.770 -23.764 -3.586 1.00 0.00 H new ATOM 1107 N ILE A 71 -4.366 -21.794 -0.448 1.00 0.00 N ATOM 1108 CA ILE A 71 -3.362 -21.969 0.594 1.00 0.00 C ATOM 1109 C ILE A 71 -3.792 -23.030 1.599 1.00 0.00 C ATOM 1110 O ILE A 71 -4.782 -22.862 2.310 1.00 0.00 O ATOM 1111 CB ILE A 71 -3.091 -20.650 1.342 1.00 0.00 C ATOM 1112 CG1 ILE A 71 -2.603 -19.578 0.366 1.00 0.00 C ATOM 1113 CG2 ILE A 71 -2.072 -20.869 2.450 1.00 0.00 C ATOM 1114 CD1 ILE A 71 -2.717 -18.170 0.910 1.00 0.00 C ATOM 0 H ILE A 71 -5.263 -21.442 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.446 -22.291 0.098 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.022 -20.307 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.562 -19.777 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.177 -19.650 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.891 -19.928 2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.455 -21.605 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.138 -21.231 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.353 -17.462 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.760 -17.952 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.120 -18.081 1.817 1.00 0.00 H new ATOM 1126 N ALA A 72 -3.040 -24.126 1.654 1.00 0.00 N ATOM 1127 CA ALA A 72 -3.341 -25.214 2.576 1.00 0.00 C ATOM 1128 C ALA A 72 -2.290 -25.308 3.677 1.00 0.00 C ATOM 1129 O ALA A 72 -1.091 -25.341 3.401 1.00 0.00 O ATOM 1130 CB ALA A 72 -3.438 -26.532 1.823 1.00 0.00 C ATOM 0 H ALA A 72 -2.218 -24.283 1.071 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.302 -25.004 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.663 -27.336 2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.231 -26.468 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.490 -26.738 1.327 1.00 0.00 H new ATOM 1136 N SER A 73 -2.747 -25.351 4.924 1.00 0.00 N ATOM 1137 CA SER A 73 -1.846 -25.436 6.067 1.00 0.00 C ATOM 1138 C SER A 73 -2.069 -26.733 6.839 1.00 0.00 C ATOM 1139 O SER A 73 -3.157 -27.306 6.811 1.00 0.00 O ATOM 1140 CB SER A 73 -2.047 -24.237 6.994 1.00 0.00 C ATOM 1141 OG SER A 73 -1.432 -23.075 6.466 1.00 0.00 O ATOM 0 H SER A 73 -3.737 -25.328 5.169 1.00 0.00 H new ATOM 0 HA SER A 73 -0.823 -25.427 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.113 -24.056 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.630 -24.459 7.976 1.00 0.00 H new ATOM 0 HG SER A 73 -1.577 -22.322 7.077 1.00 0.00 H new ATOM 1147 N GLY A 74 -1.028 -27.191 7.527 1.00 0.00 N ATOM 1148 CA GLY A 74 -1.130 -28.417 8.298 1.00 0.00 C ATOM 1149 C GLY A 74 0.194 -28.827 8.912 1.00 0.00 C ATOM 1150 O GLY A 74 0.563 -28.379 9.999 1.00 0.00 O ATOM 0 H GLY A 74 -0.116 -26.736 7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.868 -28.285 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.492 -29.218 7.654 1.00 0.00 H new ATOM 1154 N PRO A 75 0.933 -29.698 8.211 1.00 0.00 N ATOM 1155 CA PRO A 75 2.234 -30.189 8.676 1.00 0.00 C ATOM 1156 C PRO A 75 3.307 -29.105 8.645 1.00 0.00 C ATOM 1157 O PRO A 75 4.129 -29.005 9.556 1.00 0.00 O ATOM 1158 CB PRO A 75 2.570 -31.303 7.681 1.00 0.00 C ATOM 1159 CG PRO A 75 1.817 -30.946 6.446 1.00 0.00 C ATOM 1160 CD PRO A 75 0.555 -30.274 6.909 1.00 0.00 C ATOM 0 HA PRO A 75 2.197 -30.523 9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.642 -31.354 7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.267 -32.279 8.061 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.402 -30.281 5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.592 -31.834 5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.229 -29.505 6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.266 -30.984 7.007 1.00 0.00 H new ATOM 1168 N SER A 76 3.291 -28.294 7.592 1.00 0.00 N ATOM 1169 CA SER A 76 4.266 -27.220 7.440 1.00 0.00 C ATOM 1170 C SER A 76 4.375 -26.402 8.723 1.00 0.00 C ATOM 1171 O SER A 76 5.463 -26.231 9.273 1.00 0.00 O ATOM 1172 CB SER A 76 3.876 -26.311 6.274 1.00 0.00 C ATOM 1173 OG SER A 76 4.969 -25.507 5.866 1.00 0.00 O ATOM 0 H SER A 76 2.614 -28.360 6.832 1.00 0.00 H new ATOM 0 HA SER A 76 5.237 -27.669 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.533 -26.917 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.042 -25.674 6.569 1.00 0.00 H new ATOM 0 HG SER A 76 4.694 -24.936 5.118 1.00 0.00 H new ATOM 1179 N SER A 77 3.239 -25.898 9.196 1.00 0.00 N ATOM 1180 CA SER A 77 3.206 -25.094 10.411 1.00 0.00 C ATOM 1181 C SER A 77 2.044 -25.511 11.307 1.00 0.00 C ATOM 1182 O SER A 77 0.906 -25.626 10.853 1.00 0.00 O ATOM 1183 CB SER A 77 3.090 -23.608 10.064 1.00 0.00 C ATOM 1184 OG SER A 77 4.311 -23.107 9.549 1.00 0.00 O ATOM 0 H SER A 77 2.329 -26.033 8.755 1.00 0.00 H new ATOM 0 HA SER A 77 4.138 -25.261 10.952 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.296 -23.464 9.331 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.809 -23.045 10.954 1.00 0.00 H new ATOM 0 HG SER A 77 4.210 -22.156 9.334 1.00 0.00 H new ATOM 1190 N GLY A 78 2.339 -25.737 12.584 1.00 0.00 N ATOM 1191 CA GLY A 78 1.310 -26.138 13.525 1.00 0.00 C ATOM 1192 C GLY A 78 1.584 -25.643 14.930 1.00 0.00 C ATOM 1193 O GLY A 78 2.400 -26.218 15.650 1.00 0.00 O ATOM 0 H GLY A 78 3.273 -25.649 12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.346 -25.755 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.235 -27.225 13.535 1.00 0.00 H new TER 1197 GLY A 78