USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 682 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 58 GLN : amide:sc= 1.09 K(o=2.3,f=-0.29) USER MOD Set 1.2: A 62 TYR OH : rot -18:sc= 1.17 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 175:sc= 0 (180deg=-0.014) USER MOD Single : A 10 SER OG : rot 90:sc= 1.25 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0426) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 132:sc= 0.784 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.028) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.16 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -95:sc= -0.247 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.272 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 5:sc= 1.73 USER MOD Single : A 43 SER OG : rot 19:sc= 0.24! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.43) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00752) USER MOD Single : A 79 ASN : amide:sc= -0.0246 K(o=-0.025,f=-0.97) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 81 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=-0.027) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 40.996 4.623 14.832 1.00 0.00 N ATOM 2 CA GLY A -3 42.340 4.550 14.190 1.00 0.00 C ATOM 3 C GLY A -3 43.401 4.263 15.255 1.00 0.00 C ATOM 4 O GLY A -3 44.450 4.881 15.277 1.00 0.00 O ATOM 0 H1 GLY A -3 40.287 4.901 14.123 1.00 0.00 H new ATOM 0 H2 GLY A -3 40.747 3.692 15.223 1.00 0.00 H new ATOM 0 H3 GLY A -3 41.015 5.327 15.598 1.00 0.00 H new ATOM 0 HA2 GLY A -3 42.350 3.767 13.432 1.00 0.00 H new ATOM 0 HA3 GLY A -3 42.564 5.488 13.683 1.00 0.00 H new ATOM 10 N ALA A -2 43.132 3.332 16.137 1.00 0.00 N ATOM 11 CA ALA A -2 44.118 2.993 17.208 1.00 0.00 C ATOM 12 C ALA A -2 44.832 1.677 16.879 1.00 0.00 C ATOM 13 O ALA A -2 45.207 0.930 17.764 1.00 0.00 O ATOM 14 CB ALA A -2 43.284 2.847 18.481 1.00 0.00 C ATOM 0 H ALA A -2 42.268 2.790 16.161 1.00 0.00 H new ATOM 0 HA ALA A -2 44.892 3.754 17.311 1.00 0.00 H new ATOM 0 HB1 ALA A -2 43.937 2.597 19.317 1.00 0.00 H new ATOM 0 HB2 ALA A -2 42.771 3.786 18.689 1.00 0.00 H new ATOM 0 HB3 ALA A -2 42.549 2.054 18.345 1.00 0.00 H new ATOM 20 N MET A -1 45.021 1.392 15.613 1.00 0.00 N ATOM 21 CA MET A -1 45.700 0.121 15.213 1.00 0.00 C ATOM 22 C MET A -1 47.070 0.425 14.596 1.00 0.00 C ATOM 23 O MET A -1 47.218 1.358 13.829 1.00 0.00 O ATOM 24 CB MET A -1 44.773 -0.512 14.175 1.00 0.00 C ATOM 25 CG MET A -1 45.246 -1.934 13.865 1.00 0.00 C ATOM 26 SD MET A -1 44.207 -2.645 12.564 1.00 0.00 S ATOM 27 CE MET A -1 44.892 -4.319 12.617 1.00 0.00 C ATOM 0 H MET A -1 44.733 1.988 14.837 1.00 0.00 H new ATOM 0 HA MET A -1 45.874 -0.540 16.062 1.00 0.00 H new ATOM 0 HB2 MET A -1 43.750 -0.532 14.550 1.00 0.00 H new ATOM 0 HB3 MET A -1 44.767 0.087 13.264 1.00 0.00 H new ATOM 0 HG2 MET A -1 46.288 -1.921 13.546 1.00 0.00 H new ATOM 0 HG3 MET A -1 45.195 -2.550 14.763 1.00 0.00 H new ATOM 0 HE1 MET A -1 44.386 -4.943 11.880 1.00 0.00 H new ATOM 0 HE2 MET A -1 45.958 -4.283 12.392 1.00 0.00 H new ATOM 0 HE3 MET A -1 44.745 -4.741 13.611 1.00 0.00 H new ATOM 37 N ALA A 0 48.066 -0.358 14.931 1.00 0.00 N ATOM 38 CA ALA A 0 49.432 -0.128 14.369 1.00 0.00 C ATOM 39 C ALA A 0 49.717 -1.128 13.245 1.00 0.00 C ATOM 40 O ALA A 0 49.340 -2.284 13.323 1.00 0.00 O ATOM 41 CB ALA A 0 50.385 -0.355 15.543 1.00 0.00 C ATOM 0 H ALA A 0 47.991 -1.148 15.571 1.00 0.00 H new ATOM 0 HA ALA A 0 49.541 0.869 13.942 1.00 0.00 H new ATOM 0 HB1 ALA A 0 51.413 -0.205 15.212 1.00 0.00 H new ATOM 0 HB2 ALA A 0 50.154 0.351 16.341 1.00 0.00 H new ATOM 0 HB3 ALA A 0 50.269 -1.373 15.914 1.00 0.00 H new ATOM 47 N MET A 1 50.381 -0.688 12.202 1.00 0.00 N ATOM 48 CA MET A 1 50.696 -1.608 11.059 1.00 0.00 C ATOM 49 C MET A 1 51.684 -2.691 11.505 1.00 0.00 C ATOM 50 O MET A 1 51.613 -3.823 11.064 1.00 0.00 O ATOM 51 CB MET A 1 51.326 -0.719 9.983 1.00 0.00 C ATOM 52 CG MET A 1 51.113 -1.354 8.605 1.00 0.00 C ATOM 53 SD MET A 1 52.373 -2.625 8.320 1.00 0.00 S ATOM 54 CE MET A 1 52.920 -2.051 6.693 1.00 0.00 C ATOM 0 H MET A 1 50.719 0.268 12.092 1.00 0.00 H new ATOM 0 HA MET A 1 49.807 -2.120 10.691 1.00 0.00 H new ATOM 0 HB2 MET A 1 50.879 0.275 10.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 52.391 -0.595 10.177 1.00 0.00 H new ATOM 0 HG2 MET A 1 50.118 -1.795 8.546 1.00 0.00 H new ATOM 0 HG3 MET A 1 51.170 -0.591 7.829 1.00 0.00 H new ATOM 0 HE1 MET A 1 53.710 -2.705 6.323 1.00 0.00 H new ATOM 0 HE2 MET A 1 52.079 -2.069 5.999 1.00 0.00 H new ATOM 0 HE3 MET A 1 53.300 -1.033 6.775 1.00 0.00 H new ATOM 64 N SER A 2 52.602 -2.347 12.377 1.00 0.00 N ATOM 65 CA SER A 2 53.600 -3.347 12.865 1.00 0.00 C ATOM 66 C SER A 2 53.560 -3.432 14.393 1.00 0.00 C ATOM 67 O SER A 2 53.420 -2.431 15.073 1.00 0.00 O ATOM 68 CB SER A 2 54.954 -2.818 12.393 1.00 0.00 C ATOM 69 OG SER A 2 55.967 -3.758 12.724 1.00 0.00 O ATOM 0 H SER A 2 52.702 -1.412 12.772 1.00 0.00 H new ATOM 0 HA SER A 2 53.399 -4.349 12.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 54.936 -2.649 11.316 1.00 0.00 H new ATOM 0 HB3 SER A 2 55.166 -1.857 12.863 1.00 0.00 H new ATOM 0 HG SER A 2 56.836 -3.422 12.421 1.00 0.00 H new ATOM 75 N GLY A 3 53.682 -4.621 14.934 1.00 0.00 N ATOM 76 CA GLY A 3 53.658 -4.787 16.419 1.00 0.00 C ATOM 77 C GLY A 3 55.073 -5.083 16.922 1.00 0.00 C ATOM 78 O GLY A 3 55.554 -4.452 17.846 1.00 0.00 O ATOM 0 H GLY A 3 53.798 -5.486 14.407 1.00 0.00 H new ATOM 0 HA2 GLY A 3 53.275 -3.882 16.891 1.00 0.00 H new ATOM 0 HA3 GLY A 3 52.985 -5.599 16.694 1.00 0.00 H new ATOM 82 N GLY A 4 55.738 -6.037 16.319 1.00 0.00 N ATOM 83 CA GLY A 4 57.124 -6.388 16.754 1.00 0.00 C ATOM 84 C GLY A 4 58.098 -5.307 16.282 1.00 0.00 C ATOM 85 O GLY A 4 58.012 -4.829 15.165 1.00 0.00 O ATOM 0 H GLY A 4 55.378 -6.590 15.541 1.00 0.00 H new ATOM 0 HA2 GLY A 4 57.164 -6.479 17.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 57.411 -7.356 16.343 1.00 0.00 H new ATOM 89 N LEU A 5 59.023 -4.920 17.127 1.00 0.00 N ATOM 90 CA LEU A 5 60.020 -3.875 16.733 1.00 0.00 C ATOM 91 C LEU A 5 61.154 -4.510 15.905 1.00 0.00 C ATOM 92 O LEU A 5 61.927 -5.284 16.436 1.00 0.00 O ATOM 93 CB LEU A 5 60.571 -3.330 18.053 1.00 0.00 C ATOM 94 CG LEU A 5 61.418 -2.086 17.780 1.00 0.00 C ATOM 95 CD1 LEU A 5 60.506 -0.866 17.645 1.00 0.00 C ATOM 96 CD2 LEU A 5 62.392 -1.867 18.940 1.00 0.00 C ATOM 0 H LEU A 5 59.131 -5.283 18.074 1.00 0.00 H new ATOM 0 HA LEU A 5 59.573 -3.091 16.121 1.00 0.00 H new ATOM 0 HB2 LEU A 5 59.751 -3.083 18.727 1.00 0.00 H new ATOM 0 HB3 LEU A 5 61.173 -4.091 18.549 1.00 0.00 H new ATOM 0 HG LEU A 5 61.978 -2.225 16.855 1.00 0.00 H new ATOM 0 HD11 LEU A 5 61.110 0.020 17.450 1.00 0.00 H new ATOM 0 HD12 LEU A 5 59.812 -1.020 16.819 1.00 0.00 H new ATOM 0 HD13 LEU A 5 59.945 -0.727 18.569 1.00 0.00 H new ATOM 0 HD21 LEU A 5 62.996 -0.981 18.746 1.00 0.00 H new ATOM 0 HD22 LEU A 5 61.831 -1.729 19.865 1.00 0.00 H new ATOM 0 HD23 LEU A 5 63.043 -2.736 19.037 1.00 0.00 H new ATOM 108 N PRO A 6 61.227 -4.170 14.627 1.00 0.00 N ATOM 109 CA PRO A 6 62.296 -4.734 13.757 1.00 0.00 C ATOM 110 C PRO A 6 63.674 -4.238 14.214 1.00 0.00 C ATOM 111 O PRO A 6 63.852 -3.072 14.519 1.00 0.00 O ATOM 112 CB PRO A 6 61.962 -4.206 12.361 1.00 0.00 C ATOM 113 CG PRO A 6 61.076 -3.023 12.585 1.00 0.00 C ATOM 114 CD PRO A 6 60.349 -3.253 13.881 1.00 0.00 C ATOM 0 HA PRO A 6 62.336 -5.823 13.789 1.00 0.00 H new ATOM 0 HB2 PRO A 6 62.866 -3.923 11.821 1.00 0.00 H new ATOM 0 HB3 PRO A 6 61.459 -4.966 11.764 1.00 0.00 H new ATOM 0 HG2 PRO A 6 61.663 -2.106 12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 6 60.370 -2.909 11.762 1.00 0.00 H new ATOM 0 HD2 PRO A 6 60.195 -2.320 14.423 1.00 0.00 H new ATOM 0 HD3 PRO A 6 59.365 -3.691 13.714 1.00 0.00 H new ATOM 122 N GLU A 7 64.647 -5.119 14.261 1.00 0.00 N ATOM 123 CA GLU A 7 66.018 -4.713 14.715 1.00 0.00 C ATOM 124 C GLU A 7 66.634 -3.707 13.736 1.00 0.00 C ATOM 125 O GLU A 7 66.626 -3.914 12.536 1.00 0.00 O ATOM 126 CB GLU A 7 66.840 -6.006 14.728 1.00 0.00 C ATOM 127 CG GLU A 7 66.294 -6.951 15.801 1.00 0.00 C ATOM 128 CD GLU A 7 67.166 -8.205 15.870 1.00 0.00 C ATOM 129 OE1 GLU A 7 67.044 -9.038 14.986 1.00 0.00 O ATOM 130 OE2 GLU A 7 67.943 -8.314 16.805 1.00 0.00 O ATOM 0 H GLU A 7 64.551 -6.102 14.005 1.00 0.00 H new ATOM 0 HA GLU A 7 65.992 -4.233 15.693 1.00 0.00 H new ATOM 0 HB2 GLU A 7 66.797 -6.486 13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 7 67.888 -5.781 14.927 1.00 0.00 H new ATOM 0 HG2 GLU A 7 66.282 -6.450 16.769 1.00 0.00 H new ATOM 0 HG3 GLU A 7 65.264 -7.224 15.570 1.00 0.00 H new ATOM 137 N LEU A 8 67.168 -2.622 14.244 1.00 0.00 N ATOM 138 CA LEU A 8 67.827 -1.607 13.356 1.00 0.00 C ATOM 139 C LEU A 8 69.065 -2.208 12.682 1.00 0.00 C ATOM 140 O LEU A 8 69.551 -3.251 13.079 1.00 0.00 O ATOM 141 CB LEU A 8 68.240 -0.461 14.287 1.00 0.00 C ATOM 142 CG LEU A 8 66.993 0.195 14.887 1.00 0.00 C ATOM 143 CD1 LEU A 8 67.408 1.146 16.011 1.00 0.00 C ATOM 144 CD2 LEU A 8 66.259 0.985 13.801 1.00 0.00 C ATOM 0 H LEU A 8 67.177 -2.393 15.238 1.00 0.00 H new ATOM 0 HA LEU A 8 67.160 -1.271 12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.881 -0.840 15.083 1.00 0.00 H new ATOM 0 HB3 LEU A 8 68.820 0.278 13.734 1.00 0.00 H new ATOM 0 HG LEU A 8 66.334 -0.576 15.286 1.00 0.00 H new ATOM 0 HD11 LEU A 8 66.521 1.613 16.438 1.00 0.00 H new ATOM 0 HD12 LEU A 8 67.933 0.587 16.786 1.00 0.00 H new ATOM 0 HD13 LEU A 8 68.067 1.917 15.611 1.00 0.00 H new ATOM 0 HD21 LEU A 8 65.371 1.452 14.228 1.00 0.00 H new ATOM 0 HD22 LEU A 8 66.919 1.756 13.403 1.00 0.00 H new ATOM 0 HD23 LEU A 8 65.963 0.310 12.997 1.00 0.00 H new ATOM 156 N GLY A 9 69.576 -1.553 11.667 1.00 0.00 N ATOM 157 CA GLY A 9 70.805 -2.059 10.979 1.00 0.00 C ATOM 158 C GLY A 9 70.474 -3.160 9.959 1.00 0.00 C ATOM 159 O GLY A 9 71.355 -3.661 9.285 1.00 0.00 O ATOM 0 H GLY A 9 69.194 -0.688 11.285 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.305 -1.233 10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.503 -2.448 11.720 1.00 0.00 H new ATOM 163 N SER A 10 69.219 -3.545 9.834 1.00 0.00 N ATOM 164 CA SER A 10 68.851 -4.638 8.870 1.00 0.00 C ATOM 165 C SER A 10 69.229 -4.241 7.440 1.00 0.00 C ATOM 166 O SER A 10 69.264 -3.071 7.105 1.00 0.00 O ATOM 167 CB SER A 10 67.333 -4.794 8.993 1.00 0.00 C ATOM 168 OG SER A 10 67.004 -5.141 10.332 1.00 0.00 O ATOM 0 H SER A 10 68.437 -3.150 10.357 1.00 0.00 H new ATOM 0 HA SER A 10 69.376 -5.567 9.093 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.836 -3.865 8.713 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.978 -5.564 8.308 1.00 0.00 H new ATOM 0 HG SER A 10 66.849 -4.325 10.853 1.00 0.00 H new ATOM 174 N LYS A 11 69.514 -5.207 6.599 1.00 0.00 N ATOM 175 CA LYS A 11 69.897 -4.891 5.187 1.00 0.00 C ATOM 176 C LYS A 11 68.645 -4.648 4.330 1.00 0.00 C ATOM 177 O LYS A 11 67.742 -5.464 4.284 1.00 0.00 O ATOM 178 CB LYS A 11 70.696 -6.113 4.689 1.00 0.00 C ATOM 179 CG LYS A 11 69.800 -7.358 4.594 1.00 0.00 C ATOM 180 CD LYS A 11 70.667 -8.586 4.309 1.00 0.00 C ATOM 181 CE LYS A 11 69.775 -9.755 3.883 1.00 0.00 C ATOM 182 NZ LYS A 11 70.534 -10.977 4.270 1.00 0.00 N ATOM 0 H LYS A 11 69.498 -6.200 6.830 1.00 0.00 H new ATOM 0 HA LYS A 11 70.492 -3.981 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.127 -5.896 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.526 -6.310 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.250 -7.496 5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.061 -7.229 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.388 -8.360 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.238 -8.855 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 11 68.807 -9.716 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 11 69.581 -9.734 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 70.083 -11.814 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 71.513 -10.901 3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 70.537 -11.070 5.306 1.00 0.00 H new ATOM 196 N ILE A 12 68.591 -3.525 3.654 1.00 0.00 N ATOM 197 CA ILE A 12 67.417 -3.222 2.778 1.00 0.00 C ATOM 198 C ILE A 12 67.882 -3.017 1.330 1.00 0.00 C ATOM 199 O ILE A 12 68.944 -2.471 1.082 1.00 0.00 O ATOM 200 CB ILE A 12 66.801 -1.932 3.345 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.354 -2.170 4.794 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.582 -1.525 2.505 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.950 -0.839 5.435 1.00 0.00 C ATOM 0 H ILE A 12 69.312 -2.804 3.672 1.00 0.00 H new ATOM 0 HA ILE A 12 66.691 -4.035 2.767 1.00 0.00 H new ATOM 0 HB ILE A 12 67.547 -1.138 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.515 -2.865 4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.162 -2.628 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.149 -0.611 2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.891 -1.353 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.839 -2.322 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.633 -1.012 6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.801 -0.158 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.128 -0.398 4.871 1.00 0.00 H new ATOM 215 N SER A 13 67.086 -3.456 0.386 1.00 0.00 N ATOM 216 CA SER A 13 67.401 -3.224 -1.053 1.00 0.00 C ATOM 217 C SER A 13 66.533 -2.081 -1.585 1.00 0.00 C ATOM 218 O SER A 13 65.353 -2.006 -1.297 1.00 0.00 O ATOM 219 CB SER A 13 67.056 -4.536 -1.755 1.00 0.00 C ATOM 220 OG SER A 13 67.435 -4.450 -3.123 1.00 0.00 O ATOM 0 H SER A 13 66.222 -3.971 0.556 1.00 0.00 H new ATOM 0 HA SER A 13 68.442 -2.946 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.573 -5.366 -1.274 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.988 -4.736 -1.673 1.00 0.00 H new ATOM 0 HG SER A 13 67.217 -5.291 -3.576 1.00 0.00 H new ATOM 226 N LEU A 14 67.111 -1.197 -2.357 1.00 0.00 N ATOM 227 CA LEU A 14 66.403 0.063 -2.735 1.00 0.00 C ATOM 228 C LEU A 14 66.534 0.313 -4.242 1.00 0.00 C ATOM 229 O LEU A 14 67.625 0.357 -4.773 1.00 0.00 O ATOM 230 CB LEU A 14 67.129 1.149 -1.938 1.00 0.00 C ATOM 231 CG LEU A 14 66.273 2.413 -1.874 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.058 2.168 -0.978 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.109 3.555 -1.290 1.00 0.00 C ATOM 0 H LEU A 14 68.050 -1.295 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 14 65.335 0.033 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.340 0.792 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.088 1.373 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 14 65.935 2.675 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.450 3.072 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.464 1.350 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.393 1.908 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.504 4.461 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.442 3.287 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.977 3.732 -1.925 1.00 0.00 H new ATOM 245 N ILE A 15 65.428 0.478 -4.930 1.00 0.00 N ATOM 246 CA ILE A 15 65.481 0.697 -6.411 1.00 0.00 C ATOM 247 C ILE A 15 65.160 2.164 -6.727 1.00 0.00 C ATOM 248 O ILE A 15 64.080 2.650 -6.422 1.00 0.00 O ATOM 249 CB ILE A 15 64.408 -0.238 -6.999 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.727 -1.693 -6.634 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.382 -0.104 -8.528 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.519 -2.579 -6.949 1.00 0.00 C ATOM 0 H ILE A 15 64.490 0.470 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 15 66.465 0.485 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 15 63.438 0.040 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.598 -2.036 -7.193 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.978 -1.766 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.621 -0.768 -8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.150 0.926 -8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.357 -0.375 -8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.748 -3.612 -6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.659 -2.241 -6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.288 -2.515 -8.012 1.00 0.00 H new ATOM 264 N SER A 16 66.097 2.862 -7.332 1.00 0.00 N ATOM 265 CA SER A 16 65.891 4.311 -7.644 1.00 0.00 C ATOM 266 C SER A 16 65.342 4.499 -9.066 1.00 0.00 C ATOM 267 O SER A 16 65.515 3.650 -9.925 1.00 0.00 O ATOM 268 CB SER A 16 67.284 4.933 -7.538 1.00 0.00 C ATOM 269 OG SER A 16 67.842 4.619 -6.268 1.00 0.00 O ATOM 0 H SER A 16 66.999 2.485 -7.623 1.00 0.00 H new ATOM 0 HA SER A 16 65.170 4.769 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 16 67.926 4.555 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.223 6.014 -7.664 1.00 0.00 H new ATOM 0 HG SER A 16 68.756 4.287 -6.386 1.00 0.00 H new ATOM 275 N LYS A 17 64.701 5.627 -9.311 1.00 0.00 N ATOM 276 CA LYS A 17 63.971 5.860 -10.609 1.00 0.00 C ATOM 277 C LYS A 17 64.865 5.642 -11.843 1.00 0.00 C ATOM 278 O LYS A 17 64.372 5.556 -12.953 1.00 0.00 O ATOM 279 CB LYS A 17 63.520 7.323 -10.550 1.00 0.00 C ATOM 280 CG LYS A 17 62.533 7.605 -11.686 1.00 0.00 C ATOM 281 CD LYS A 17 62.129 9.080 -11.657 1.00 0.00 C ATOM 282 CE LYS A 17 61.027 9.328 -12.689 1.00 0.00 C ATOM 283 NZ LYS A 17 61.741 9.478 -13.987 1.00 0.00 N ATOM 0 H LYS A 17 64.653 6.407 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 17 63.146 5.155 -10.714 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.051 7.531 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.383 7.983 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.988 7.360 -12.646 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.651 6.973 -11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.778 9.352 -10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.993 9.709 -11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 17 60.322 8.498 -12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.455 10.224 -12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 61.063 9.751 -14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 62.472 10.213 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.188 8.575 -14.244 1.00 0.00 H new ATOM 297 N ALA A 18 66.162 5.553 -11.668 1.00 0.00 N ATOM 298 CA ALA A 18 67.071 5.345 -12.837 1.00 0.00 C ATOM 299 C ALA A 18 67.278 3.847 -13.096 1.00 0.00 C ATOM 300 O ALA A 18 68.236 3.453 -13.734 1.00 0.00 O ATOM 301 CB ALA A 18 68.392 6.003 -12.428 1.00 0.00 C ATOM 0 H ALA A 18 66.630 5.616 -10.764 1.00 0.00 H new ATOM 0 HA ALA A 18 66.665 5.770 -13.755 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.117 5.895 -13.234 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.225 7.062 -12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.775 5.522 -11.528 1.00 0.00 H new ATOM 307 N ASP A 19 66.384 3.008 -12.605 1.00 0.00 N ATOM 308 CA ASP A 19 66.574 1.520 -12.692 1.00 0.00 C ATOM 309 C ASP A 19 67.931 1.136 -12.096 1.00 0.00 C ATOM 310 O ASP A 19 68.579 0.209 -12.544 1.00 0.00 O ATOM 311 CB ASP A 19 66.504 1.158 -14.183 1.00 0.00 C ATOM 312 CG ASP A 19 65.105 1.465 -14.727 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.145 1.269 -13.997 1.00 0.00 O ATOM 314 OD2 ASP A 19 65.015 1.887 -15.867 1.00 0.00 O ATOM 0 H ASP A 19 65.522 3.298 -12.143 1.00 0.00 H new ATOM 0 HA ASP A 19 65.810 0.981 -12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.252 1.723 -14.739 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.734 0.102 -14.321 1.00 0.00 H new ATOM 319 N ILE A 20 68.353 1.854 -11.082 1.00 0.00 N ATOM 320 CA ILE A 20 69.648 1.526 -10.410 1.00 0.00 C ATOM 321 C ILE A 20 69.358 0.792 -9.103 1.00 0.00 C ATOM 322 O ILE A 20 68.423 1.125 -8.398 1.00 0.00 O ATOM 323 CB ILE A 20 70.333 2.871 -10.122 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.484 3.681 -11.418 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.723 2.613 -9.527 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.004 5.087 -11.093 1.00 0.00 C ATOM 0 H ILE A 20 67.855 2.654 -10.691 1.00 0.00 H new ATOM 0 HA ILE A 20 70.282 0.889 -11.027 1.00 0.00 H new ATOM 0 HB ILE A 20 69.722 3.436 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.173 3.176 -12.095 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.524 3.747 -11.930 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.213 3.565 -9.321 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.623 2.048 -8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.322 2.042 -10.237 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.110 5.658 -12.015 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.299 5.592 -10.432 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.973 5.012 -10.600 1.00 0.00 H new ATOM 338 N ARG A 21 70.146 -0.198 -8.775 1.00 0.00 N ATOM 339 CA ARG A 21 69.914 -0.946 -7.508 1.00 0.00 C ATOM 340 C ARG A 21 70.956 -0.538 -6.463 1.00 0.00 C ATOM 341 O ARG A 21 72.145 -0.700 -6.662 1.00 0.00 O ATOM 342 CB ARG A 21 70.069 -2.421 -7.880 1.00 0.00 C ATOM 343 CG ARG A 21 69.632 -3.295 -6.702 1.00 0.00 C ATOM 344 CD ARG A 21 69.840 -4.771 -7.055 1.00 0.00 C ATOM 345 NE ARG A 21 69.277 -5.540 -5.898 1.00 0.00 N ATOM 346 CZ ARG A 21 68.983 -6.822 -6.000 1.00 0.00 C ATOM 347 NH1 ARG A 21 69.175 -7.486 -7.118 1.00 0.00 N ATOM 348 NH2 ARG A 21 68.493 -7.446 -4.964 1.00 0.00 N ATOM 0 H ARG A 21 70.939 -0.519 -9.330 1.00 0.00 H new ATOM 0 HA ARG A 21 68.934 -0.741 -7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.467 -2.650 -8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.106 -2.634 -8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.207 -3.039 -5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.584 -3.110 -6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.330 -5.029 -7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.897 -4.995 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 21 69.118 -5.061 -5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 21 69.560 -7.010 -7.934 1.00 0.00 H new ATOM 0 HH12 ARG A 21 68.939 -8.477 -7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.342 -6.943 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 21 68.261 -8.437 -5.028 1.00 0.00 H new ATOM 362 N TYR A 22 70.505 -0.009 -5.356 1.00 0.00 N ATOM 363 CA TYR A 22 71.422 0.293 -4.219 1.00 0.00 C ATOM 364 C TYR A 22 71.057 -0.601 -3.035 1.00 0.00 C ATOM 365 O TYR A 22 69.907 -0.940 -2.846 1.00 0.00 O ATOM 366 CB TYR A 22 71.163 1.758 -3.865 1.00 0.00 C ATOM 367 CG TYR A 22 71.537 2.739 -4.954 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.844 3.283 -4.994 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.581 3.123 -5.929 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.196 4.210 -6.005 1.00 0.00 C ATOM 371 CE2 TYR A 22 70.934 4.050 -6.944 1.00 0.00 C ATOM 372 CZ TYR A 22 72.242 4.593 -6.980 1.00 0.00 C ATOM 373 OH TYR A 22 72.587 5.496 -7.965 1.00 0.00 O ATOM 0 H TYR A 22 69.527 0.229 -5.190 1.00 0.00 H new ATOM 0 HA TYR A 22 72.469 0.119 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.106 1.881 -3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.722 2.005 -2.962 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.573 2.991 -4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.584 2.710 -5.899 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.193 4.625 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.207 4.341 -7.688 1.00 0.00 H new ATOM 0 HH TYR A 22 73.543 5.415 -8.163 1.00 0.00 H new ATOM 383 N GLU A 23 72.020 -0.985 -2.240 1.00 0.00 N ATOM 384 CA GLU A 23 71.707 -1.776 -1.011 1.00 0.00 C ATOM 385 C GLU A 23 72.573 -1.289 0.146 1.00 0.00 C ATOM 386 O GLU A 23 73.738 -0.996 -0.036 1.00 0.00 O ATOM 387 CB GLU A 23 72.055 -3.221 -1.373 1.00 0.00 C ATOM 388 CG GLU A 23 71.586 -4.159 -0.257 1.00 0.00 C ATOM 389 CD GLU A 23 72.052 -5.586 -0.555 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.193 -5.746 -0.956 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.258 -6.495 -0.377 1.00 0.00 O ATOM 0 H GLU A 23 73.010 -0.786 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 23 70.667 -1.677 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.580 -3.495 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.131 -3.321 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 23 71.986 -3.828 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.499 -4.130 -0.177 1.00 0.00 H new ATOM 398 N GLY A 24 72.021 -1.207 1.330 1.00 0.00 N ATOM 399 CA GLY A 24 72.798 -0.634 2.473 1.00 0.00 C ATOM 400 C GLY A 24 72.095 -0.924 3.800 1.00 0.00 C ATOM 401 O GLY A 24 70.991 -1.437 3.829 1.00 0.00 O ATOM 0 H GLY A 24 71.073 -1.509 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.802 -1.058 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.909 0.442 2.341 1.00 0.00 H new ATOM 405 N ARG A 25 72.737 -0.597 4.897 1.00 0.00 N ATOM 406 CA ARG A 25 72.122 -0.841 6.241 1.00 0.00 C ATOM 407 C ARG A 25 71.189 0.313 6.623 1.00 0.00 C ATOM 408 O ARG A 25 71.509 1.470 6.419 1.00 0.00 O ATOM 409 CB ARG A 25 73.302 -0.912 7.215 1.00 0.00 C ATOM 410 CG ARG A 25 74.143 -2.155 6.912 1.00 0.00 C ATOM 411 CD ARG A 25 75.261 -2.281 7.952 1.00 0.00 C ATOM 412 NE ARG A 25 76.141 -3.389 7.458 1.00 0.00 N ATOM 413 CZ ARG A 25 77.005 -3.989 8.255 1.00 0.00 C ATOM 414 NH1 ARG A 25 77.141 -3.640 9.514 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.746 -4.952 7.779 1.00 0.00 N ATOM 0 H ARG A 25 73.663 -0.170 4.919 1.00 0.00 H new ATOM 0 HA ARG A 25 71.523 -1.752 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.915 -0.015 7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.938 -0.948 8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.514 -3.045 6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.569 -2.084 5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 25 75.818 -1.349 8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.857 -2.510 8.938 1.00 0.00 H new ATOM 0 HE ARG A 25 76.071 -3.686 6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 25 76.570 -2.887 9.899 1.00 0.00 H new ATOM 0 HH12 ARG A 25 77.817 -4.122 10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.653 -5.232 6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 25 78.418 -5.425 8.383 1.00 0.00 H new ATOM 429 N LEU A 26 70.040 0.002 7.174 1.00 0.00 N ATOM 430 CA LEU A 26 69.116 1.081 7.660 1.00 0.00 C ATOM 431 C LEU A 26 69.738 1.834 8.840 1.00 0.00 C ATOM 432 O LEU A 26 69.983 1.261 9.887 1.00 0.00 O ATOM 433 CB LEU A 26 67.866 0.332 8.138 1.00 0.00 C ATOM 434 CG LEU A 26 66.758 1.335 8.471 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.113 1.845 7.179 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.696 0.651 9.336 1.00 0.00 C ATOM 0 H LEU A 26 69.701 -0.950 7.309 1.00 0.00 H new ATOM 0 HA LEU A 26 68.904 1.815 6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.526 -0.357 7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.103 -0.267 9.017 1.00 0.00 H new ATOM 0 HG LEU A 26 67.187 2.177 9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.325 2.558 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.868 2.334 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.686 1.006 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.906 1.364 9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.271 -0.193 8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.153 0.294 10.259 1.00 0.00 H new ATOM 448 N TYR A 27 69.995 3.109 8.677 1.00 0.00 N ATOM 449 CA TYR A 27 70.564 3.912 9.802 1.00 0.00 C ATOM 450 C TYR A 27 69.461 4.714 10.497 1.00 0.00 C ATOM 451 O TYR A 27 69.334 4.681 11.707 1.00 0.00 O ATOM 452 CB TYR A 27 71.581 4.849 9.150 1.00 0.00 C ATOM 453 CG TYR A 27 72.413 5.617 10.151 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.109 4.924 11.173 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.494 7.028 10.070 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.885 5.644 12.113 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.272 7.747 11.010 1.00 0.00 C ATOM 458 CZ TYR A 27 73.968 7.055 12.032 1.00 0.00 C ATOM 459 OH TYR A 27 74.725 7.756 12.948 1.00 0.00 O ATOM 0 H TYR A 27 69.835 3.627 7.813 1.00 0.00 H new ATOM 0 HA TYR A 27 71.022 3.282 10.564 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.243 4.266 8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.055 5.555 8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 27 73.047 3.848 11.235 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.963 7.556 9.292 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.414 5.116 12.893 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.335 8.823 10.948 1.00 0.00 H new ATOM 0 HH TYR A 27 74.675 8.714 12.749 1.00 0.00 H new ATOM 469 N THR A 28 68.665 5.432 9.739 1.00 0.00 N ATOM 470 CA THR A 28 67.582 6.267 10.351 1.00 0.00 C ATOM 471 C THR A 28 66.440 6.472 9.350 1.00 0.00 C ATOM 472 O THR A 28 66.642 6.430 8.152 1.00 0.00 O ATOM 473 CB THR A 28 68.241 7.608 10.689 1.00 0.00 C ATOM 474 OG1 THR A 28 69.017 8.047 9.583 1.00 0.00 O ATOM 475 CG2 THR A 28 69.141 7.449 11.915 1.00 0.00 C ATOM 0 H THR A 28 68.719 5.475 8.721 1.00 0.00 H new ATOM 0 HA THR A 28 67.154 5.793 11.234 1.00 0.00 H new ATOM 0 HB THR A 28 67.467 8.344 10.906 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.950 7.777 9.711 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.607 8.406 12.151 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.544 7.117 12.764 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.915 6.711 11.705 1.00 0.00 H new ATOM 483 N VAL A 29 65.243 6.693 9.840 1.00 0.00 N ATOM 484 CA VAL A 29 64.071 6.887 8.930 1.00 0.00 C ATOM 485 C VAL A 29 63.131 7.962 9.501 1.00 0.00 C ATOM 486 O VAL A 29 62.972 8.082 10.701 1.00 0.00 O ATOM 487 CB VAL A 29 63.388 5.508 8.859 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.873 5.091 10.242 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.213 5.562 7.873 1.00 0.00 C ATOM 0 H VAL A 29 65.027 6.747 10.835 1.00 0.00 H new ATOM 0 HA VAL A 29 64.360 7.233 7.938 1.00 0.00 H new ATOM 0 HB VAL A 29 64.120 4.775 8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.394 4.115 10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.708 5.036 10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.150 5.825 10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.733 4.585 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.490 6.306 8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.581 5.834 6.884 1.00 0.00 H new ATOM 499 N ASP A 30 62.513 8.741 8.643 1.00 0.00 N ATOM 500 CA ASP A 30 61.543 9.773 9.114 1.00 0.00 C ATOM 501 C ASP A 30 60.214 9.617 8.355 1.00 0.00 C ATOM 502 O ASP A 30 60.097 10.086 7.237 1.00 0.00 O ATOM 503 CB ASP A 30 62.200 11.113 8.780 1.00 0.00 C ATOM 504 CG ASP A 30 61.547 12.223 9.604 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.331 12.316 9.577 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.274 12.962 10.247 1.00 0.00 O ATOM 0 H ASP A 30 62.642 8.703 7.632 1.00 0.00 H new ATOM 0 HA ASP A 30 61.320 9.687 10.177 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.268 11.069 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.095 11.326 7.716 1.00 0.00 H new ATOM 511 N PRO A 31 59.248 8.958 8.978 1.00 0.00 N ATOM 512 CA PRO A 31 57.956 8.671 8.291 1.00 0.00 C ATOM 513 C PRO A 31 57.264 9.970 7.857 1.00 0.00 C ATOM 514 O PRO A 31 56.744 10.065 6.761 1.00 0.00 O ATOM 515 CB PRO A 31 57.123 7.938 9.347 1.00 0.00 C ATOM 516 CG PRO A 31 58.100 7.472 10.378 1.00 0.00 C ATOM 517 CD PRO A 31 59.260 8.427 10.350 1.00 0.00 C ATOM 0 HA PRO A 31 58.090 8.084 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.376 8.600 9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 31 56.586 7.097 8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.639 7.455 11.366 1.00 0.00 H new ATOM 0 HG3 PRO A 31 58.432 6.456 10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.141 9.221 11.087 1.00 0.00 H new ATOM 0 HD3 PRO A 31 60.199 7.921 10.575 1.00 0.00 H new ATOM 525 N GLN A 32 57.270 10.972 8.698 1.00 0.00 N ATOM 526 CA GLN A 32 56.454 12.196 8.414 1.00 0.00 C ATOM 527 C GLN A 32 57.192 13.106 7.425 1.00 0.00 C ATOM 528 O GLN A 32 56.578 13.889 6.723 1.00 0.00 O ATOM 529 CB GLN A 32 56.260 12.890 9.763 1.00 0.00 C ATOM 530 CG GLN A 32 55.248 14.027 9.614 1.00 0.00 C ATOM 531 CD GLN A 32 55.130 14.784 10.938 1.00 0.00 C ATOM 532 OE1 GLN A 32 54.496 14.319 11.862 1.00 0.00 O ATOM 533 NE2 GLN A 32 55.720 15.942 11.068 1.00 0.00 N ATOM 0 H GLN A 32 57.802 10.998 9.568 1.00 0.00 H new ATOM 0 HA GLN A 32 55.495 11.950 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 32 55.910 12.173 10.505 1.00 0.00 H new ATOM 0 HB3 GLN A 32 57.212 13.281 10.122 1.00 0.00 H new ATOM 0 HG2 GLN A 32 55.563 14.706 8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 32 54.276 13.627 9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 32 56.253 16.333 10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 32 55.648 16.455 11.946 1.00 0.00 H new ATOM 542 N GLU A 33 58.498 13.011 7.366 1.00 0.00 N ATOM 543 CA GLU A 33 59.261 13.765 6.321 1.00 0.00 C ATOM 544 C GLU A 33 59.359 12.958 5.013 1.00 0.00 C ATOM 545 O GLU A 33 59.965 13.406 4.058 1.00 0.00 O ATOM 546 CB GLU A 33 60.656 13.979 6.919 1.00 0.00 C ATOM 547 CG GLU A 33 60.562 14.907 8.135 1.00 0.00 C ATOM 548 CD GLU A 33 60.200 16.324 7.680 1.00 0.00 C ATOM 549 OE1 GLU A 33 60.745 16.763 6.681 1.00 0.00 O ATOM 550 OE2 GLU A 33 59.384 16.946 8.341 1.00 0.00 O ATOM 0 H GLU A 33 59.068 12.445 7.995 1.00 0.00 H new ATOM 0 HA GLU A 33 58.770 14.705 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.087 13.022 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.320 14.411 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 33 59.809 14.535 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 33 61.512 14.918 8.669 1.00 0.00 H new ATOM 557 N CYS A 34 58.770 11.771 4.954 1.00 0.00 N ATOM 558 CA CYS A 34 58.890 10.901 3.731 1.00 0.00 C ATOM 559 C CYS A 34 60.357 10.757 3.291 1.00 0.00 C ATOM 560 O CYS A 34 60.659 10.740 2.110 1.00 0.00 O ATOM 561 CB CYS A 34 58.069 11.611 2.649 1.00 0.00 C ATOM 562 SG CYS A 34 56.311 11.521 3.070 1.00 0.00 S ATOM 0 H CYS A 34 58.210 11.371 5.707 1.00 0.00 H new ATOM 0 HA CYS A 34 58.529 9.890 3.923 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.381 12.652 2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.246 11.146 1.679 1.00 0.00 H new ATOM 0 HG CYS A 34 55.614 12.125 2.154 1.00 0.00 H new ATOM 568 N THR A 35 61.266 10.654 4.231 1.00 0.00 N ATOM 569 CA THR A 35 62.719 10.624 3.874 1.00 0.00 C ATOM 570 C THR A 35 63.443 9.542 4.675 1.00 0.00 C ATOM 571 O THR A 35 63.030 9.187 5.760 1.00 0.00 O ATOM 572 CB THR A 35 63.255 12.011 4.242 1.00 0.00 C ATOM 573 OG1 THR A 35 62.756 12.393 5.518 1.00 0.00 O ATOM 574 CG2 THR A 35 62.812 13.030 3.190 1.00 0.00 C ATOM 0 H THR A 35 61.064 10.590 5.229 1.00 0.00 H new ATOM 0 HA THR A 35 62.874 10.395 2.820 1.00 0.00 H new ATOM 0 HB THR A 35 64.344 11.979 4.276 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.221 13.200 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.195 14.016 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.202 12.739 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.723 13.062 3.150 1.00 0.00 H new ATOM 582 N ILE A 36 64.519 9.018 4.143 1.00 0.00 N ATOM 583 CA ILE A 36 65.306 7.987 4.887 1.00 0.00 C ATOM 584 C ILE A 36 66.805 8.182 4.636 1.00 0.00 C ATOM 585 O ILE A 36 67.201 8.841 3.693 1.00 0.00 O ATOM 586 CB ILE A 36 64.830 6.626 4.346 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.037 6.552 2.825 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.343 6.438 4.663 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.852 5.108 2.351 1.00 0.00 C ATOM 0 H ILE A 36 64.887 9.260 3.223 1.00 0.00 H new ATOM 0 HA ILE A 36 65.154 8.058 5.964 1.00 0.00 H new ATOM 0 HB ILE A 36 65.412 5.838 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.326 7.205 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.035 6.905 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.008 5.474 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.194 6.470 5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.767 7.235 4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.999 5.058 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.580 4.466 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.845 4.771 2.596 1.00 0.00 H new ATOM 601 N ALA A 37 67.635 7.613 5.474 1.00 0.00 N ATOM 602 CA ALA A 37 69.109 7.673 5.239 1.00 0.00 C ATOM 603 C ALA A 37 69.731 6.303 5.515 1.00 0.00 C ATOM 604 O ALA A 37 69.521 5.719 6.563 1.00 0.00 O ATOM 605 CB ALA A 37 69.641 8.716 6.224 1.00 0.00 C ATOM 0 H ALA A 37 67.353 7.108 6.314 1.00 0.00 H new ATOM 0 HA ALA A 37 69.353 7.939 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.720 8.811 6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.168 9.678 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.414 8.403 7.243 1.00 0.00 H new ATOM 611 N LEU A 38 70.492 5.796 4.578 1.00 0.00 N ATOM 612 CA LEU A 38 71.106 4.446 4.745 1.00 0.00 C ATOM 613 C LEU A 38 72.614 4.588 4.939 1.00 0.00 C ATOM 614 O LEU A 38 73.234 5.468 4.371 1.00 0.00 O ATOM 615 CB LEU A 38 70.802 3.701 3.441 1.00 0.00 C ATOM 616 CG LEU A 38 69.289 3.520 3.283 1.00 0.00 C ATOM 617 CD1 LEU A 38 68.981 3.008 1.875 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.784 2.507 4.314 1.00 0.00 C ATOM 0 H LEU A 38 70.715 6.263 3.699 1.00 0.00 H new ATOM 0 HA LEU A 38 70.714 3.915 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.201 4.258 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.295 2.729 3.444 1.00 0.00 H new ATOM 0 HG LEU A 38 68.792 4.477 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.905 2.879 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.339 3.728 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.479 2.051 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.707 2.379 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.282 1.550 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 38 69.003 2.870 5.318 1.00 0.00 H new ATOM 630 N SER A 39 73.207 3.731 5.731 1.00 0.00 N ATOM 631 CA SER A 39 74.671 3.838 5.996 1.00 0.00 C ATOM 632 C SER A 39 75.370 2.588 5.470 1.00 0.00 C ATOM 633 O SER A 39 74.770 1.533 5.391 1.00 0.00 O ATOM 634 CB SER A 39 74.797 3.930 7.517 1.00 0.00 C ATOM 635 OG SER A 39 74.340 2.717 8.100 1.00 0.00 O ATOM 0 H SER A 39 72.738 2.960 6.206 1.00 0.00 H new ATOM 0 HA SER A 39 75.128 4.698 5.507 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.834 4.113 7.797 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.212 4.770 7.892 1.00 0.00 H new ATOM 0 HG SER A 39 74.421 2.772 9.075 1.00 0.00 H new ATOM 641 N SER A 40 76.632 2.701 5.111 1.00 0.00 N ATOM 642 CA SER A 40 77.353 1.572 4.430 1.00 0.00 C ATOM 643 C SER A 40 76.482 0.981 3.310 1.00 0.00 C ATOM 644 O SER A 40 75.736 0.038 3.513 1.00 0.00 O ATOM 645 CB SER A 40 77.653 0.542 5.528 1.00 0.00 C ATOM 646 OG SER A 40 76.476 -0.181 5.862 1.00 0.00 O ATOM 0 H SER A 40 77.198 3.536 5.263 1.00 0.00 H new ATOM 0 HA SER A 40 78.276 1.902 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.427 -0.147 5.188 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.041 1.046 6.413 1.00 0.00 H new ATOM 0 HG SER A 40 75.746 0.089 5.266 1.00 0.00 H new ATOM 652 N VAL A 41 76.572 1.552 2.134 1.00 0.00 N ATOM 653 CA VAL A 41 75.729 1.091 0.989 1.00 0.00 C ATOM 654 C VAL A 41 76.591 0.962 -0.278 1.00 0.00 C ATOM 655 O VAL A 41 77.535 1.705 -0.474 1.00 0.00 O ATOM 656 CB VAL A 41 74.635 2.167 0.839 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.265 3.520 0.493 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.650 1.769 -0.270 1.00 0.00 C ATOM 0 H VAL A 41 77.200 2.326 1.917 1.00 0.00 H new ATOM 0 HA VAL A 41 75.287 0.108 1.154 1.00 0.00 H new ATOM 0 HB VAL A 41 74.101 2.249 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.481 4.271 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.949 3.817 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.813 3.437 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.882 2.536 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.186 1.670 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.182 0.817 -0.017 1.00 0.00 H new ATOM 668 N ARG A 42 76.267 0.020 -1.128 1.00 0.00 N ATOM 669 CA ARG A 42 77.008 -0.135 -2.417 1.00 0.00 C ATOM 670 C ARG A 42 76.028 -0.066 -3.593 1.00 0.00 C ATOM 671 O ARG A 42 74.862 -0.386 -3.451 1.00 0.00 O ATOM 672 CB ARG A 42 77.648 -1.522 -2.345 1.00 0.00 C ATOM 673 CG ARG A 42 78.703 -1.546 -1.240 1.00 0.00 C ATOM 674 CD ARG A 42 79.382 -2.919 -1.211 1.00 0.00 C ATOM 675 NE ARG A 42 80.264 -2.954 -2.423 1.00 0.00 N ATOM 676 CZ ARG A 42 80.744 -4.090 -2.892 1.00 0.00 C ATOM 677 NH1 ARG A 42 80.477 -5.241 -2.317 1.00 0.00 N ATOM 678 NH2 ARG A 42 81.503 -4.070 -3.953 1.00 0.00 N ATOM 0 H ARG A 42 75.515 -0.653 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 42 77.750 0.650 -2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 42 76.885 -2.275 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.105 -1.772 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 42 79.444 -0.766 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 42 78.240 -1.337 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 42 79.963 -3.050 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.645 -3.722 -1.238 1.00 0.00 H new ATOM 0 HE ARG A 42 80.498 -2.081 -2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.885 -5.271 -1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 42 80.861 -6.104 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 42 81.719 -3.184 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 42 81.881 -4.941 -4.326 1.00 0.00 H new ATOM 692 N SER A 43 76.493 0.350 -4.746 1.00 0.00 N ATOM 693 CA SER A 43 75.615 0.358 -5.958 1.00 0.00 C ATOM 694 C SER A 43 76.058 -0.745 -6.924 1.00 0.00 C ATOM 695 O SER A 43 77.237 -0.935 -7.158 1.00 0.00 O ATOM 696 CB SER A 43 75.815 1.738 -6.584 1.00 0.00 C ATOM 697 OG SER A 43 77.141 1.841 -7.085 1.00 0.00 O ATOM 0 H SER A 43 77.444 0.685 -4.900 1.00 0.00 H new ATOM 0 HA SER A 43 74.568 0.173 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 43 75.097 1.892 -7.390 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.633 2.516 -5.842 1.00 0.00 H new ATOM 0 HG SER A 43 77.522 0.944 -7.188 1.00 0.00 H new ATOM 703 N PHE A 44 75.121 -1.471 -7.487 1.00 0.00 N ATOM 704 CA PHE A 44 75.491 -2.649 -8.336 1.00 0.00 C ATOM 705 C PHE A 44 75.836 -2.210 -9.762 1.00 0.00 C ATOM 706 O PHE A 44 76.745 -2.743 -10.372 1.00 0.00 O ATOM 707 CB PHE A 44 74.254 -3.550 -8.339 1.00 0.00 C ATOM 708 CG PHE A 44 74.016 -4.253 -7.024 1.00 0.00 C ATOM 709 CD1 PHE A 44 74.825 -5.355 -6.655 1.00 0.00 C ATOM 710 CD2 PHE A 44 72.984 -3.811 -6.160 1.00 0.00 C ATOM 711 CE1 PHE A 44 74.603 -6.016 -5.422 1.00 0.00 C ATOM 712 CE2 PHE A 44 72.762 -4.473 -4.927 1.00 0.00 C ATOM 713 CZ PHE A 44 73.571 -5.575 -4.558 1.00 0.00 C ATOM 0 H PHE A 44 74.120 -1.300 -7.396 1.00 0.00 H new ATOM 0 HA PHE A 44 76.371 -3.162 -7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.378 -2.950 -8.584 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.360 -4.296 -9.127 1.00 0.00 H new ATOM 0 HD1 PHE A 44 75.612 -5.692 -7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 44 72.367 -2.970 -6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.221 -6.856 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 44 71.975 -4.137 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 44 73.401 -6.079 -3.618 1.00 0.00 H new ATOM 723 N GLY A 45 75.123 -1.247 -10.300 1.00 0.00 N ATOM 724 CA GLY A 45 75.472 -0.727 -11.653 1.00 0.00 C ATOM 725 C GLY A 45 74.345 0.154 -12.198 1.00 0.00 C ATOM 726 O GLY A 45 73.250 0.182 -11.668 1.00 0.00 O ATOM 0 H GLY A 45 74.318 -0.803 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.397 -0.153 -11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.652 -1.559 -12.333 1.00 0.00 H new ATOM 730 N THR A 46 74.621 0.872 -13.257 1.00 0.00 N ATOM 731 CA THR A 46 73.560 1.671 -13.954 1.00 0.00 C ATOM 732 C THR A 46 73.368 1.184 -15.402 1.00 0.00 C ATOM 733 O THR A 46 72.637 1.787 -16.165 1.00 0.00 O ATOM 734 CB THR A 46 74.052 3.127 -13.936 1.00 0.00 C ATOM 735 OG1 THR A 46 75.474 3.163 -13.983 1.00 0.00 O ATOM 736 CG2 THR A 46 73.562 3.825 -12.662 1.00 0.00 C ATOM 0 H THR A 46 75.548 0.941 -13.676 1.00 0.00 H new ATOM 0 HA THR A 46 72.595 1.566 -13.458 1.00 0.00 H new ATOM 0 HB THR A 46 73.653 3.645 -14.808 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.778 4.095 -13.973 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.914 4.857 -12.654 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.472 3.813 -12.637 1.00 0.00 H new ATOM 0 HG23 THR A 46 73.951 3.303 -11.788 1.00 0.00 H new ATOM 744 N GLU A 47 74.021 0.101 -15.782 1.00 0.00 N ATOM 745 CA GLU A 47 74.101 -0.306 -17.227 1.00 0.00 C ATOM 746 C GLU A 47 72.725 -0.314 -17.917 1.00 0.00 C ATOM 747 O GLU A 47 72.635 -0.169 -19.123 1.00 0.00 O ATOM 748 CB GLU A 47 74.683 -1.723 -17.213 1.00 0.00 C ATOM 749 CG GLU A 47 76.147 -1.670 -16.763 1.00 0.00 C ATOM 750 CD GLU A 47 76.770 -3.067 -16.854 1.00 0.00 C ATOM 751 OE1 GLU A 47 76.075 -4.029 -16.566 1.00 0.00 O ATOM 752 OE2 GLU A 47 77.932 -3.151 -17.213 1.00 0.00 O ATOM 0 H GLU A 47 74.508 -0.525 -15.140 1.00 0.00 H new ATOM 0 HA GLU A 47 74.710 0.403 -17.788 1.00 0.00 H new ATOM 0 HB2 GLU A 47 74.107 -2.357 -16.539 1.00 0.00 H new ATOM 0 HB3 GLU A 47 74.613 -2.166 -18.206 1.00 0.00 H new ATOM 0 HG2 GLU A 47 76.704 -0.972 -17.388 1.00 0.00 H new ATOM 0 HG3 GLU A 47 76.209 -1.300 -15.739 1.00 0.00 H new ATOM 759 N ASP A 48 71.658 -0.483 -17.171 1.00 0.00 N ATOM 760 CA ASP A 48 70.297 -0.523 -17.805 1.00 0.00 C ATOM 761 C ASP A 48 69.960 0.831 -18.448 1.00 0.00 C ATOM 762 O ASP A 48 69.717 0.915 -19.639 1.00 0.00 O ATOM 763 CB ASP A 48 69.322 -0.825 -16.662 1.00 0.00 C ATOM 764 CG ASP A 48 69.581 -2.235 -16.122 1.00 0.00 C ATOM 765 OD1 ASP A 48 69.793 -3.129 -16.927 1.00 0.00 O ATOM 766 OD2 ASP A 48 69.564 -2.397 -14.913 1.00 0.00 O ATOM 0 H ASP A 48 71.668 -0.594 -16.157 1.00 0.00 H new ATOM 0 HA ASP A 48 70.244 -1.272 -18.595 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.443 -0.092 -15.865 1.00 0.00 H new ATOM 0 HB3 ASP A 48 68.294 -0.744 -17.017 1.00 0.00 H new ATOM 771 N ARG A 49 69.945 1.886 -17.668 1.00 0.00 N ATOM 772 CA ARG A 49 69.687 3.249 -18.235 1.00 0.00 C ATOM 773 C ARG A 49 71.000 3.981 -18.561 1.00 0.00 C ATOM 774 O ARG A 49 70.993 5.162 -18.855 1.00 0.00 O ATOM 775 CB ARG A 49 68.918 3.999 -17.147 1.00 0.00 C ATOM 776 CG ARG A 49 67.475 3.493 -17.099 1.00 0.00 C ATOM 777 CD ARG A 49 66.604 4.508 -16.351 1.00 0.00 C ATOM 778 NE ARG A 49 66.452 5.667 -17.288 1.00 0.00 N ATOM 779 CZ ARG A 49 65.505 6.571 -17.116 1.00 0.00 C ATOM 780 NH1 ARG A 49 64.658 6.500 -16.115 1.00 0.00 N ATOM 781 NH2 ARG A 49 65.409 7.560 -17.961 1.00 0.00 N ATOM 0 H ARG A 49 70.101 1.862 -16.660 1.00 0.00 H new ATOM 0 HA ARG A 49 69.130 3.188 -19.170 1.00 0.00 H new ATOM 0 HB2 ARG A 49 69.399 3.851 -16.180 1.00 0.00 H new ATOM 0 HB3 ARG A 49 68.932 5.070 -17.350 1.00 0.00 H new ATOM 0 HG2 ARG A 49 67.095 3.347 -18.110 1.00 0.00 H new ATOM 0 HG3 ARG A 49 67.434 2.525 -16.600 1.00 0.00 H new ATOM 0 HD2 ARG A 49 65.635 4.080 -16.094 1.00 0.00 H new ATOM 0 HD3 ARG A 49 67.074 4.817 -15.417 1.00 0.00 H new ATOM 0 HE ARG A 49 67.094 5.760 -18.075 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.722 5.733 -15.446 1.00 0.00 H new ATOM 0 HH12 ARG A 49 63.936 7.212 -16.006 1.00 0.00 H new ATOM 0 HH21 ARG A 49 66.061 7.628 -18.743 1.00 0.00 H new ATOM 0 HH22 ARG A 49 64.682 8.265 -17.840 1.00 0.00 H new ATOM 795 N ASP A 50 72.121 3.296 -18.512 1.00 0.00 N ATOM 796 CA ASP A 50 73.445 3.998 -18.609 1.00 0.00 C ATOM 797 C ASP A 50 73.579 4.756 -19.940 1.00 0.00 C ATOM 798 O ASP A 50 72.733 4.659 -20.810 1.00 0.00 O ATOM 799 CB ASP A 50 74.508 2.889 -18.508 1.00 0.00 C ATOM 800 CG ASP A 50 74.411 1.920 -19.701 1.00 0.00 C ATOM 801 OD1 ASP A 50 73.389 1.920 -20.372 1.00 0.00 O ATOM 802 OD2 ASP A 50 75.366 1.193 -19.920 1.00 0.00 O ATOM 0 H ASP A 50 72.177 2.283 -18.409 1.00 0.00 H new ATOM 0 HA ASP A 50 73.556 4.743 -17.821 1.00 0.00 H new ATOM 0 HB2 ASP A 50 75.502 3.335 -18.477 1.00 0.00 H new ATOM 0 HB3 ASP A 50 74.377 2.339 -17.576 1.00 0.00 H new ATOM 807 N THR A 51 74.642 5.507 -20.088 1.00 0.00 N ATOM 808 CA THR A 51 74.912 6.204 -21.385 1.00 0.00 C ATOM 809 C THR A 51 75.505 5.215 -22.389 1.00 0.00 C ATOM 810 O THR A 51 75.955 4.145 -22.023 1.00 0.00 O ATOM 811 CB THR A 51 75.924 7.305 -21.053 1.00 0.00 C ATOM 812 OG1 THR A 51 75.477 8.029 -19.916 1.00 0.00 O ATOM 813 CG2 THR A 51 76.058 8.254 -22.245 1.00 0.00 C ATOM 0 H THR A 51 75.339 5.669 -19.361 1.00 0.00 H new ATOM 0 HA THR A 51 74.006 6.615 -21.830 1.00 0.00 H new ATOM 0 HB THR A 51 76.894 6.855 -20.840 1.00 0.00 H new ATOM 0 HG1 THR A 51 76.124 8.733 -19.701 1.00 0.00 H new ATOM 0 HG21 THR A 51 76.778 9.037 -22.008 1.00 0.00 H new ATOM 0 HG22 THR A 51 76.402 7.697 -23.117 1.00 0.00 H new ATOM 0 HG23 THR A 51 75.090 8.705 -22.461 1.00 0.00 H new ATOM 821 N GLN A 52 75.509 5.566 -23.652 1.00 0.00 N ATOM 822 CA GLN A 52 76.073 4.639 -24.690 1.00 0.00 C ATOM 823 C GLN A 52 77.615 4.670 -24.690 1.00 0.00 C ATOM 824 O GLN A 52 78.246 4.030 -25.511 1.00 0.00 O ATOM 825 CB GLN A 52 75.512 5.123 -26.041 1.00 0.00 C ATOM 826 CG GLN A 52 75.915 6.580 -26.311 1.00 0.00 C ATOM 827 CD GLN A 52 75.777 6.879 -27.805 1.00 0.00 C ATOM 828 OE1 GLN A 52 74.846 6.429 -28.443 1.00 0.00 O ATOM 829 NE2 GLN A 52 76.672 7.624 -28.394 1.00 0.00 N ATOM 0 H GLN A 52 75.148 6.450 -24.011 1.00 0.00 H new ATOM 0 HA GLN A 52 75.791 3.606 -24.489 1.00 0.00 H new ATOM 0 HB2 GLN A 52 75.882 4.484 -26.843 1.00 0.00 H new ATOM 0 HB3 GLN A 52 74.425 5.036 -26.040 1.00 0.00 H new ATOM 0 HG2 GLN A 52 75.284 7.256 -25.734 1.00 0.00 H new ATOM 0 HG3 GLN A 52 76.942 6.750 -25.989 1.00 0.00 H new ATOM 0 HE21 GLN A 52 77.454 8.002 -27.858 1.00 0.00 H new ATOM 0 HE22 GLN A 52 76.590 7.829 -29.390 1.00 0.00 H new ATOM 838 N PHE A 53 78.224 5.405 -23.783 1.00 0.00 N ATOM 839 CA PHE A 53 79.698 5.273 -23.567 1.00 0.00 C ATOM 840 C PHE A 53 79.964 4.325 -22.393 1.00 0.00 C ATOM 841 O PHE A 53 79.069 4.006 -21.633 1.00 0.00 O ATOM 842 CB PHE A 53 80.186 6.689 -23.243 1.00 0.00 C ATOM 843 CG PHE A 53 80.602 7.490 -24.461 1.00 0.00 C ATOM 844 CD1 PHE A 53 79.805 7.477 -25.633 1.00 0.00 C ATOM 845 CD2 PHE A 53 81.792 8.258 -24.425 1.00 0.00 C ATOM 846 CE1 PHE A 53 80.198 8.230 -26.765 1.00 0.00 C ATOM 847 CE2 PHE A 53 82.184 9.011 -25.559 1.00 0.00 C ATOM 848 CZ PHE A 53 81.387 8.997 -26.729 1.00 0.00 C ATOM 0 H PHE A 53 77.760 6.089 -23.185 1.00 0.00 H new ATOM 0 HA PHE A 53 80.213 4.863 -24.436 1.00 0.00 H new ATOM 0 HB2 PHE A 53 79.393 7.225 -22.721 1.00 0.00 H new ATOM 0 HB3 PHE A 53 81.031 6.623 -22.558 1.00 0.00 H new ATOM 0 HD1 PHE A 53 78.897 6.892 -25.662 1.00 0.00 H new ATOM 0 HD2 PHE A 53 82.400 8.269 -23.533 1.00 0.00 H new ATOM 0 HE1 PHE A 53 79.590 8.219 -27.657 1.00 0.00 H new ATOM 0 HE2 PHE A 53 83.091 9.596 -25.531 1.00 0.00 H new ATOM 0 HZ PHE A 53 81.686 9.571 -27.593 1.00 0.00 H new ATOM 858 N GLN A 54 81.186 3.876 -22.242 1.00 0.00 N ATOM 859 CA GLN A 54 81.505 2.904 -21.146 1.00 0.00 C ATOM 860 C GLN A 54 81.390 3.586 -19.778 1.00 0.00 C ATOM 861 O GLN A 54 81.798 4.720 -19.607 1.00 0.00 O ATOM 862 CB GLN A 54 82.949 2.460 -21.400 1.00 0.00 C ATOM 863 CG GLN A 54 83.019 1.664 -22.705 1.00 0.00 C ATOM 864 CD GLN A 54 84.469 1.263 -22.986 1.00 0.00 C ATOM 865 OE1 GLN A 54 85.385 2.010 -22.703 1.00 0.00 O ATOM 866 NE2 GLN A 54 84.718 0.107 -23.536 1.00 0.00 N ATOM 0 H GLN A 54 81.977 4.140 -22.829 1.00 0.00 H new ATOM 0 HA GLN A 54 80.816 2.059 -21.141 1.00 0.00 H new ATOM 0 HB2 GLN A 54 83.603 3.330 -21.457 1.00 0.00 H new ATOM 0 HB3 GLN A 54 83.304 1.849 -20.570 1.00 0.00 H new ATOM 0 HG2 GLN A 54 82.393 0.775 -22.634 1.00 0.00 H new ATOM 0 HG3 GLN A 54 82.631 2.263 -23.529 1.00 0.00 H new ATOM 0 HE21 GLN A 54 83.950 -0.521 -23.774 1.00 0.00 H new ATOM 0 HE22 GLN A 54 85.681 -0.169 -23.728 1.00 0.00 H new ATOM 875 N ILE A 55 80.837 2.898 -18.808 1.00 0.00 N ATOM 876 CA ILE A 55 80.717 3.482 -17.433 1.00 0.00 C ATOM 877 C ILE A 55 81.591 2.686 -16.455 1.00 0.00 C ATOM 878 O ILE A 55 81.590 1.468 -16.462 1.00 0.00 O ATOM 879 CB ILE A 55 79.227 3.358 -17.057 1.00 0.00 C ATOM 880 CG1 ILE A 55 78.343 4.051 -18.116 1.00 0.00 C ATOM 881 CG2 ILE A 55 78.982 4.005 -15.687 1.00 0.00 C ATOM 882 CD1 ILE A 55 78.720 5.534 -18.256 1.00 0.00 C ATOM 0 H ILE A 55 80.462 1.955 -18.909 1.00 0.00 H new ATOM 0 HA ILE A 55 81.049 4.519 -17.395 1.00 0.00 H new ATOM 0 HB ILE A 55 78.967 2.300 -17.016 1.00 0.00 H new ATOM 0 HG12 ILE A 55 78.458 3.550 -19.077 1.00 0.00 H new ATOM 0 HG13 ILE A 55 77.294 3.963 -17.834 1.00 0.00 H new ATOM 0 HG21 ILE A 55 77.928 3.915 -15.425 1.00 0.00 H new ATOM 0 HG22 ILE A 55 79.587 3.501 -14.933 1.00 0.00 H new ATOM 0 HG23 ILE A 55 79.257 5.059 -15.728 1.00 0.00 H new ATOM 0 HD11 ILE A 55 78.084 6.002 -19.008 1.00 0.00 H new ATOM 0 HD12 ILE A 55 78.581 6.037 -17.299 1.00 0.00 H new ATOM 0 HD13 ILE A 55 79.763 5.617 -18.561 1.00 0.00 H new ATOM 894 N ALA A 56 82.333 3.368 -15.618 1.00 0.00 N ATOM 895 CA ALA A 56 83.227 2.664 -14.650 1.00 0.00 C ATOM 896 C ALA A 56 82.547 2.565 -13.272 1.00 0.00 C ATOM 897 O ALA A 56 82.394 3.568 -12.601 1.00 0.00 O ATOM 898 CB ALA A 56 84.478 3.540 -14.563 1.00 0.00 C ATOM 0 H ALA A 56 82.357 4.386 -15.564 1.00 0.00 H new ATOM 0 HA ALA A 56 83.458 1.647 -14.966 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.189 3.091 -13.869 1.00 0.00 H new ATOM 0 HB2 ALA A 56 84.935 3.620 -15.549 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.203 4.533 -14.209 1.00 0.00 H new ATOM 904 N PRO A 57 82.155 1.362 -12.882 1.00 0.00 N ATOM 905 CA PRO A 57 81.522 1.172 -11.547 1.00 0.00 C ATOM 906 C PRO A 57 82.539 1.442 -10.433 1.00 0.00 C ATOM 907 O PRO A 57 83.717 1.174 -10.581 1.00 0.00 O ATOM 908 CB PRO A 57 81.086 -0.296 -11.545 1.00 0.00 C ATOM 909 CG PRO A 57 81.916 -0.958 -12.598 1.00 0.00 C ATOM 910 CD PRO A 57 82.257 0.092 -13.621 1.00 0.00 C ATOM 0 HA PRO A 57 80.688 1.852 -11.373 1.00 0.00 H new ATOM 0 HB2 PRO A 57 81.251 -0.753 -10.569 1.00 0.00 H new ATOM 0 HB3 PRO A 57 80.023 -0.390 -11.766 1.00 0.00 H new ATOM 0 HG2 PRO A 57 82.822 -1.381 -12.164 1.00 0.00 H new ATOM 0 HG3 PRO A 57 81.369 -1.781 -13.059 1.00 0.00 H new ATOM 0 HD2 PRO A 57 83.259 -0.055 -14.024 1.00 0.00 H new ATOM 0 HD3 PRO A 57 81.567 0.065 -14.464 1.00 0.00 H new ATOM 918 N GLN A 58 82.088 1.971 -9.321 1.00 0.00 N ATOM 919 CA GLN A 58 83.023 2.287 -8.198 1.00 0.00 C ATOM 920 C GLN A 58 83.008 1.160 -7.161 1.00 0.00 C ATOM 921 O GLN A 58 81.977 0.840 -6.596 1.00 0.00 O ATOM 922 CB GLN A 58 82.490 3.584 -7.588 1.00 0.00 C ATOM 923 CG GLN A 58 82.663 4.730 -8.589 1.00 0.00 C ATOM 924 CD GLN A 58 82.090 6.020 -8.000 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.099 5.994 -7.297 1.00 0.00 O ATOM 926 NE2 GLN A 58 82.675 7.157 -8.259 1.00 0.00 N ATOM 0 H GLN A 58 81.110 2.198 -9.143 1.00 0.00 H new ATOM 0 HA GLN A 58 84.053 2.391 -8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.438 3.470 -7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 58 83.024 3.810 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 58 83.719 4.864 -8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.156 4.489 -9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 58 83.507 7.180 -8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 58 82.301 8.023 -7.872 1.00 0.00 H new ATOM 935 N SER A 59 84.147 0.559 -6.910 1.00 0.00 N ATOM 936 CA SER A 59 84.220 -0.534 -5.888 1.00 0.00 C ATOM 937 C SER A 59 84.181 0.045 -4.465 1.00 0.00 C ATOM 938 O SER A 59 83.832 -0.642 -3.522 1.00 0.00 O ATOM 939 CB SER A 59 85.557 -1.235 -6.140 1.00 0.00 C ATOM 940 OG SER A 59 86.621 -0.353 -5.806 1.00 0.00 O ATOM 0 H SER A 59 85.031 0.779 -7.370 1.00 0.00 H new ATOM 0 HA SER A 59 83.376 -1.219 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 59 85.622 -2.144 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 59 85.632 -1.534 -7.185 1.00 0.00 H new ATOM 0 HG SER A 59 87.479 -0.800 -5.965 1.00 0.00 H new ATOM 946 N GLN A 60 84.535 1.302 -4.303 1.00 0.00 N ATOM 947 CA GLN A 60 84.557 1.919 -2.933 1.00 0.00 C ATOM 948 C GLN A 60 83.157 1.897 -2.306 1.00 0.00 C ATOM 949 O GLN A 60 82.158 1.836 -2.998 1.00 0.00 O ATOM 950 CB GLN A 60 85.022 3.365 -3.142 1.00 0.00 C ATOM 951 CG GLN A 60 86.464 3.374 -3.658 1.00 0.00 C ATOM 952 CD GLN A 60 87.414 2.937 -2.541 1.00 0.00 C ATOM 953 OE1 GLN A 60 87.334 3.429 -1.433 1.00 0.00 O ATOM 954 NE2 GLN A 60 88.316 2.027 -2.786 1.00 0.00 N ATOM 0 H GLN A 60 84.810 1.927 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 60 85.216 1.372 -2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 60 84.368 3.868 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 60 84.958 3.917 -2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 60 86.559 2.704 -4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 60 86.730 4.372 -4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 60 88.384 1.613 -3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 60 88.953 1.729 -2.048 1.00 0.00 H new ATOM 963 N ILE A 61 83.088 1.949 -0.997 1.00 0.00 N ATOM 964 CA ILE A 61 81.764 1.906 -0.300 1.00 0.00 C ATOM 965 C ILE A 61 81.305 3.330 0.034 1.00 0.00 C ATOM 966 O ILE A 61 82.113 4.195 0.325 1.00 0.00 O ATOM 967 CB ILE A 61 82.014 1.109 0.995 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.605 -0.281 0.671 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.698 0.939 1.767 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.640 -1.091 -0.207 1.00 0.00 C ATOM 0 H ILE A 61 83.896 2.020 -0.379 1.00 0.00 H new ATOM 0 HA ILE A 61 80.989 1.449 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 61 82.727 1.661 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.560 -0.165 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.803 -0.822 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.883 0.375 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.296 1.920 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.980 0.402 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 61 82.076 -2.066 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.695 -1.225 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.463 -0.558 -1.141 1.00 0.00 H new ATOM 982 N TYR A 62 80.019 3.579 -0.008 1.00 0.00 N ATOM 983 CA TYR A 62 79.497 4.922 0.396 1.00 0.00 C ATOM 984 C TYR A 62 79.133 4.913 1.883 1.00 0.00 C ATOM 985 O TYR A 62 78.199 4.250 2.294 1.00 0.00 O ATOM 986 CB TYR A 62 78.249 5.142 -0.459 1.00 0.00 C ATOM 987 CG TYR A 62 78.551 5.646 -1.850 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.047 4.756 -2.834 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.335 7.008 -2.171 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.328 5.230 -4.139 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.615 7.481 -3.476 1.00 0.00 C ATOM 992 CZ TYR A 62 79.112 6.592 -4.459 1.00 0.00 C ATOM 993 OH TYR A 62 79.385 7.054 -5.731 1.00 0.00 O ATOM 0 H TYR A 62 79.308 2.910 -0.305 1.00 0.00 H new ATOM 0 HA TYR A 62 80.232 5.713 0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.699 4.204 -0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.596 5.856 0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.211 3.717 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.957 7.686 -1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.707 4.552 -4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.449 8.520 -3.721 1.00 0.00 H new ATOM 0 HH TYR A 62 79.978 6.422 -6.188 1.00 0.00 H new ATOM 1003 N ASP A 63 79.872 5.642 2.690 1.00 0.00 N ATOM 1004 CA ASP A 63 79.590 5.693 4.168 1.00 0.00 C ATOM 1005 C ASP A 63 78.124 6.045 4.456 1.00 0.00 C ATOM 1006 O ASP A 63 77.494 5.454 5.313 1.00 0.00 O ATOM 1007 CB ASP A 63 80.501 6.802 4.704 1.00 0.00 C ATOM 1008 CG ASP A 63 81.965 6.374 4.580 1.00 0.00 C ATOM 1009 OD1 ASP A 63 82.255 5.225 4.872 1.00 0.00 O ATOM 1010 OD2 ASP A 63 82.772 7.203 4.193 1.00 0.00 O ATOM 0 H ASP A 63 80.664 6.209 2.388 1.00 0.00 H new ATOM 0 HA ASP A 63 79.772 4.725 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.334 7.724 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.261 7.011 5.746 1.00 0.00 H new ATOM 1015 N TYR A 64 77.582 7.004 3.743 1.00 0.00 N ATOM 1016 CA TYR A 64 76.196 7.480 4.040 1.00 0.00 C ATOM 1017 C TYR A 64 75.565 8.087 2.786 1.00 0.00 C ATOM 1018 O TYR A 64 76.158 8.921 2.127 1.00 0.00 O ATOM 1019 CB TYR A 64 76.374 8.553 5.117 1.00 0.00 C ATOM 1020 CG TYR A 64 75.082 9.003 5.768 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.096 9.686 5.010 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.864 8.753 7.145 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.897 10.115 5.630 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.664 9.182 7.762 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.682 9.864 7.005 1.00 0.00 C ATOM 1026 OH TYR A 64 71.514 10.283 7.609 1.00 0.00 O ATOM 0 H TYR A 64 78.043 7.478 2.966 1.00 0.00 H new ATOM 0 HA TYR A 64 75.542 6.672 4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 64 77.042 8.170 5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.864 9.419 4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.260 9.879 3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.614 8.235 7.725 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.147 10.634 5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.498 8.989 8.811 1.00 0.00 H new ATOM 0 HH TYR A 64 71.526 10.030 8.556 1.00 0.00 H new ATOM 1036 N ILE A 65 74.367 7.673 2.453 1.00 0.00 N ATOM 1037 CA ILE A 65 73.613 8.349 1.347 1.00 0.00 C ATOM 1038 C ILE A 65 72.206 8.728 1.829 1.00 0.00 C ATOM 1039 O ILE A 65 71.473 7.903 2.344 1.00 0.00 O ATOM 1040 CB ILE A 65 73.549 7.328 0.197 1.00 0.00 C ATOM 1041 CG1 ILE A 65 74.978 7.000 -0.270 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.753 7.920 -0.977 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.944 5.919 -1.358 1.00 0.00 C ATOM 0 H ILE A 65 73.877 6.897 2.898 1.00 0.00 H new ATOM 0 HA ILE A 65 74.097 9.271 1.024 1.00 0.00 H new ATOM 0 HB ILE A 65 73.057 6.420 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.458 7.899 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.575 6.657 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.710 7.195 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.741 8.157 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.243 8.828 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.961 5.695 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.483 5.016 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.364 6.277 -2.209 1.00 0.00 H new ATOM 1055 N LEU A 66 71.834 9.976 1.664 1.00 0.00 N ATOM 1056 CA LEU A 66 70.449 10.414 2.019 1.00 0.00 C ATOM 1057 C LEU A 66 69.531 10.265 0.802 1.00 0.00 C ATOM 1058 O LEU A 66 69.901 10.604 -0.307 1.00 0.00 O ATOM 1059 CB LEU A 66 70.583 11.887 2.417 1.00 0.00 C ATOM 1060 CG LEU A 66 69.253 12.391 2.983 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.015 11.774 4.362 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.301 13.916 3.109 1.00 0.00 C ATOM 0 H LEU A 66 72.436 10.713 1.296 1.00 0.00 H new ATOM 0 HA LEU A 66 70.017 9.819 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.373 12.003 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.870 12.483 1.551 1.00 0.00 H new ATOM 0 HG LEU A 66 68.442 12.104 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.068 12.134 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.982 10.688 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.825 12.059 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.355 14.278 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.113 14.200 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.469 14.357 2.127 1.00 0.00 H new ATOM 1074 N PHE A 67 68.338 9.762 1.005 1.00 0.00 N ATOM 1075 CA PHE A 67 67.426 9.488 -0.146 1.00 0.00 C ATOM 1076 C PHE A 67 66.004 9.958 0.168 1.00 0.00 C ATOM 1077 O PHE A 67 65.460 9.656 1.213 1.00 0.00 O ATOM 1078 CB PHE A 67 67.458 7.967 -0.316 1.00 0.00 C ATOM 1079 CG PHE A 67 68.569 7.467 -1.211 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.830 8.105 -2.448 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.338 6.344 -0.819 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.854 7.619 -3.292 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.367 5.861 -1.663 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.625 6.498 -2.900 1.00 0.00 C ATOM 0 H PHE A 67 67.956 9.529 1.922 1.00 0.00 H new ATOM 0 HA PHE A 67 67.737 10.013 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.562 7.505 0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.502 7.638 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.246 8.963 -2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.139 5.856 0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 67 70.049 8.103 -4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.955 5.006 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.409 6.129 -3.545 1.00 0.00 H new ATOM 1094 N ARG A 68 65.403 10.699 -0.732 1.00 0.00 N ATOM 1095 CA ARG A 68 63.968 11.085 -0.560 1.00 0.00 C ATOM 1096 C ARG A 68 63.054 10.057 -1.240 1.00 0.00 C ATOM 1097 O ARG A 68 63.419 9.442 -2.228 1.00 0.00 O ATOM 1098 CB ARG A 68 63.834 12.451 -1.242 1.00 0.00 C ATOM 1099 CG ARG A 68 64.647 13.492 -0.471 1.00 0.00 C ATOM 1100 CD ARG A 68 64.432 14.874 -1.097 1.00 0.00 C ATOM 1101 NE ARG A 68 65.416 15.769 -0.412 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.212 16.213 0.814 1.00 0.00 C ATOM 1103 NH1 ARG A 68 64.142 15.879 1.500 1.00 0.00 N ATOM 1104 NH2 ARG A 68 66.098 17.000 1.362 1.00 0.00 N ATOM 0 H ARG A 68 65.846 11.053 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 68 63.679 11.123 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.186 12.390 -2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.786 12.749 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.343 13.504 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.705 13.232 -0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.603 14.850 -2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.410 15.221 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 68 66.266 16.043 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 68 63.443 15.262 1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 68 64.010 16.237 2.446 1.00 0.00 H new ATOM 0 HH21 ARG A 68 66.935 17.265 0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 68 65.953 17.350 2.309 1.00 0.00 H new ATOM 1118 N GLY A 69 61.865 9.868 -0.718 1.00 0.00 N ATOM 1119 CA GLY A 69 60.899 8.915 -1.350 1.00 0.00 C ATOM 1120 C GLY A 69 60.573 9.351 -2.788 1.00 0.00 C ATOM 1121 O GLY A 69 60.192 8.540 -3.613 1.00 0.00 O ATOM 0 H GLY A 69 61.522 10.335 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.322 7.910 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 69 59.983 8.872 -0.760 1.00 0.00 H new ATOM 1125 N SER A 70 60.719 10.622 -3.094 1.00 0.00 N ATOM 1126 CA SER A 70 60.334 11.124 -4.453 1.00 0.00 C ATOM 1127 C SER A 70 61.248 10.538 -5.537 1.00 0.00 C ATOM 1128 O SER A 70 60.787 10.151 -6.596 1.00 0.00 O ATOM 1129 CB SER A 70 60.500 12.643 -4.385 1.00 0.00 C ATOM 1130 OG SER A 70 59.744 13.150 -3.293 1.00 0.00 O ATOM 0 H SER A 70 61.088 11.331 -2.461 1.00 0.00 H new ATOM 0 HA SER A 70 59.316 10.831 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 70 61.552 12.900 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.165 13.099 -5.317 1.00 0.00 H new ATOM 0 HG SER A 70 59.850 14.123 -3.246 1.00 0.00 H new ATOM 1136 N ASP A 71 62.535 10.468 -5.284 1.00 0.00 N ATOM 1137 CA ASP A 71 63.484 9.995 -6.347 1.00 0.00 C ATOM 1138 C ASP A 71 63.534 8.464 -6.394 1.00 0.00 C ATOM 1139 O ASP A 71 63.707 7.880 -7.448 1.00 0.00 O ATOM 1140 CB ASP A 71 64.858 10.588 -5.991 1.00 0.00 C ATOM 1141 CG ASP A 71 65.320 10.106 -4.612 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.009 10.772 -3.640 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.978 9.080 -4.554 1.00 0.00 O ATOM 0 H ASP A 71 62.968 10.716 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 71 63.164 10.320 -7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.590 10.300 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.802 11.677 -6.001 1.00 0.00 H new ATOM 1148 N ILE A 72 63.388 7.810 -5.266 1.00 0.00 N ATOM 1149 CA ILE A 72 63.375 6.312 -5.265 1.00 0.00 C ATOM 1150 C ILE A 72 61.933 5.797 -5.166 1.00 0.00 C ATOM 1151 O ILE A 72 61.126 6.312 -4.416 1.00 0.00 O ATOM 1152 CB ILE A 72 64.246 5.919 -4.058 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.717 6.056 -4.468 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.980 4.467 -3.627 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.578 6.313 -3.237 1.00 0.00 C ATOM 0 H ILE A 72 63.278 8.246 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 72 63.769 5.870 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 72 64.006 6.572 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.049 5.148 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.830 6.874 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.610 4.220 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.932 4.356 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.209 3.794 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.622 6.409 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.253 7.233 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.476 5.480 -2.541 1.00 0.00 H new ATOM 1167 N LYS A 73 61.621 4.776 -5.930 1.00 0.00 N ATOM 1168 CA LYS A 73 60.194 4.387 -6.129 1.00 0.00 C ATOM 1169 C LYS A 73 59.848 3.093 -5.382 1.00 0.00 C ATOM 1170 O LYS A 73 58.685 2.812 -5.155 1.00 0.00 O ATOM 1171 CB LYS A 73 60.055 4.182 -7.638 1.00 0.00 C ATOM 1172 CG LYS A 73 58.575 4.045 -8.003 1.00 0.00 C ATOM 1173 CD LYS A 73 57.905 5.419 -7.949 1.00 0.00 C ATOM 1174 CE LYS A 73 56.441 5.292 -8.378 1.00 0.00 C ATOM 1175 NZ LYS A 73 55.714 4.883 -7.145 1.00 0.00 N ATOM 0 H LYS A 73 62.298 4.195 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 73 59.516 5.147 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.495 5.024 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.600 3.290 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.474 3.619 -9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.081 3.361 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 73 57.965 5.825 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 73 58.428 6.116 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.060 6.236 -8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.324 4.552 -9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 54.694 4.841 -7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 56.047 3.946 -6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 55.893 5.576 -6.390 1.00 0.00 H new ATOM 1189 N ASP A 74 60.825 2.299 -4.991 1.00 0.00 N ATOM 1190 CA ASP A 74 60.484 1.014 -4.299 1.00 0.00 C ATOM 1191 C ASP A 74 61.566 0.620 -3.290 1.00 0.00 C ATOM 1192 O ASP A 74 62.742 0.618 -3.592 1.00 0.00 O ATOM 1193 CB ASP A 74 60.375 -0.027 -5.414 1.00 0.00 C ATOM 1194 CG ASP A 74 59.783 -1.321 -4.852 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.568 -1.407 -4.770 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.553 -2.204 -4.512 1.00 0.00 O ATOM 0 H ASP A 74 61.820 2.482 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 74 59.559 1.100 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.746 0.353 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.359 -0.221 -5.842 1.00 0.00 H new ATOM 1201 N ILE A 75 61.158 0.287 -2.087 1.00 0.00 N ATOM 1202 CA ILE A 75 62.124 -0.189 -1.049 1.00 0.00 C ATOM 1203 C ILE A 75 61.583 -1.461 -0.376 1.00 0.00 C ATOM 1204 O ILE A 75 60.406 -1.559 -0.081 1.00 0.00 O ATOM 1205 CB ILE A 75 62.238 0.976 -0.046 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.262 0.622 1.039 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.879 1.257 0.611 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.642 1.885 1.814 1.00 0.00 C ATOM 0 H ILE A 75 60.186 0.326 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 75 63.098 -0.449 -1.465 1.00 0.00 H new ATOM 0 HB ILE A 75 62.561 1.867 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.846 -0.122 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.149 0.180 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.979 2.082 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.152 1.522 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.540 0.367 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.370 1.633 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 75 64.075 2.615 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.752 2.308 2.279 1.00 0.00 H new ATOM 1220 N ARG A 76 62.433 -2.430 -0.134 1.00 0.00 N ATOM 1221 CA ARG A 76 61.976 -3.695 0.523 1.00 0.00 C ATOM 1222 C ARG A 76 63.088 -4.270 1.405 1.00 0.00 C ATOM 1223 O ARG A 76 64.246 -4.273 1.032 1.00 0.00 O ATOM 1224 CB ARG A 76 61.656 -4.652 -0.628 1.00 0.00 C ATOM 1225 CG ARG A 76 60.427 -4.152 -1.391 1.00 0.00 C ATOM 1226 CD ARG A 76 59.967 -5.227 -2.380 1.00 0.00 C ATOM 1227 NE ARG A 76 59.377 -6.319 -1.537 1.00 0.00 N ATOM 1228 CZ ARG A 76 58.602 -7.249 -2.061 1.00 0.00 C ATOM 1229 NH1 ARG A 76 58.314 -7.265 -3.343 1.00 0.00 N ATOM 1230 NH2 ARG A 76 58.112 -8.178 -1.287 1.00 0.00 N ATOM 0 H ARG A 76 63.426 -2.399 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 76 61.113 -3.532 1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.510 -4.723 -1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.472 -5.654 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.623 -3.917 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.666 -3.231 -1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 76 59.231 -4.829 -3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 76 60.802 -5.597 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 76 59.579 -6.343 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 76 58.693 -6.546 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 76 57.712 -7.996 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 76 58.330 -8.179 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 76 57.511 -8.903 -1.678 1.00 0.00 H new ATOM 1244 N VAL A 77 62.741 -4.757 2.572 1.00 0.00 N ATOM 1245 CA VAL A 77 63.769 -5.358 3.482 1.00 0.00 C ATOM 1246 C VAL A 77 63.974 -6.844 3.143 1.00 0.00 C ATOM 1247 O VAL A 77 63.050 -7.528 2.744 1.00 0.00 O ATOM 1248 CB VAL A 77 63.218 -5.168 4.910 1.00 0.00 C ATOM 1249 CG1 VAL A 77 61.892 -5.921 5.094 1.00 0.00 C ATOM 1250 CG2 VAL A 77 64.239 -5.687 5.928 1.00 0.00 C ATOM 0 H VAL A 77 61.788 -4.765 2.935 1.00 0.00 H new ATOM 0 HA VAL A 77 64.745 -4.884 3.377 1.00 0.00 H new ATOM 0 HB VAL A 77 63.039 -4.105 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 77 61.526 -5.770 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 77 61.157 -5.543 4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 77 62.051 -6.985 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 77 63.848 -5.552 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 77 64.425 -6.746 5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 77 65.172 -5.133 5.823 1.00 0.00 H new ATOM 1260 N VAL A 78 65.178 -7.339 3.302 1.00 0.00 N ATOM 1261 CA VAL A 78 65.457 -8.772 2.972 1.00 0.00 C ATOM 1262 C VAL A 78 65.399 -9.623 4.248 1.00 0.00 C ATOM 1263 O VAL A 78 65.954 -9.261 5.268 1.00 0.00 O ATOM 1264 CB VAL A 78 66.876 -8.784 2.376 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.254 -10.210 1.960 1.00 0.00 C ATOM 1266 CG2 VAL A 78 66.929 -7.877 1.140 1.00 0.00 C ATOM 0 H VAL A 78 65.980 -6.812 3.646 1.00 0.00 H new ATOM 0 HA VAL A 78 64.727 -9.186 2.276 1.00 0.00 H new ATOM 0 HB VAL A 78 67.576 -8.422 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.259 -10.212 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.225 -10.863 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.547 -10.570 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 78 67.936 -7.889 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.222 -8.238 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.667 -6.858 1.425 1.00 0.00 H new ATOM 1276 N ASN A 79 64.728 -10.749 4.190 1.00 0.00 N ATOM 1277 CA ASN A 79 64.657 -11.652 5.379 1.00 0.00 C ATOM 1278 C ASN A 79 65.232 -13.030 5.031 1.00 0.00 C ATOM 1279 O ASN A 79 64.537 -13.891 4.522 1.00 0.00 O ATOM 1280 CB ASN A 79 63.165 -11.758 5.707 1.00 0.00 C ATOM 1281 CG ASN A 79 62.989 -12.386 7.091 1.00 0.00 C ATOM 1282 OD1 ASN A 79 63.744 -12.104 8.000 1.00 0.00 O ATOM 1283 ND2 ASN A 79 62.016 -13.231 7.290 1.00 0.00 N ATOM 0 H ASN A 79 64.225 -11.081 3.367 1.00 0.00 H new ATOM 0 HA ASN A 79 65.233 -11.272 6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 79 62.706 -10.770 5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 79 62.659 -12.363 4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 79 61.889 -13.655 8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 79 61.382 -13.468 6.527 1.00 0.00 H new ATOM 1290 N ASN A 80 66.498 -13.238 5.302 1.00 0.00 N ATOM 1291 CA ASN A 80 67.134 -14.554 4.984 1.00 0.00 C ATOM 1292 C ASN A 80 67.163 -15.445 6.228 1.00 0.00 C ATOM 1293 O ASN A 80 66.598 -16.523 6.240 1.00 0.00 O ATOM 1294 CB ASN A 80 68.556 -14.209 4.538 1.00 0.00 C ATOM 1295 CG ASN A 80 69.165 -15.403 3.801 1.00 0.00 C ATOM 1296 OD1 ASN A 80 68.670 -15.812 2.770 1.00 0.00 O ATOM 1297 ND2 ASN A 80 70.225 -15.984 4.290 1.00 0.00 N ATOM 0 H ASN A 80 67.119 -12.551 5.730 1.00 0.00 H new ATOM 0 HA ASN A 80 66.587 -15.101 4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 80 68.542 -13.335 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 80 69.167 -13.952 5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 80 70.638 -16.782 3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 80 70.641 -15.641 5.156 1.00 0.00 H new ATOM 1304 N HIS A 81 67.817 -14.998 7.273 1.00 0.00 N ATOM 1305 CA HIS A 81 67.900 -15.815 8.522 1.00 0.00 C ATOM 1306 C HIS A 81 67.744 -14.918 9.753 1.00 0.00 C ATOM 1307 O HIS A 81 67.978 -13.725 9.693 1.00 0.00 O ATOM 1308 CB HIS A 81 69.292 -16.445 8.491 1.00 0.00 C ATOM 1309 CG HIS A 81 69.544 -17.404 9.623 1.00 0.00 C ATOM 1310 ND1 HIS A 81 68.856 -18.602 9.744 1.00 0.00 N ATOM 1311 CD2 HIS A 81 70.403 -17.357 10.692 1.00 0.00 C ATOM 1312 CE1 HIS A 81 69.309 -19.219 10.849 1.00 0.00 C ATOM 1313 NE2 HIS A 81 70.254 -18.505 11.466 1.00 0.00 N ATOM 0 H HIS A 81 68.298 -14.099 7.314 1.00 0.00 H new ATOM 0 HA HIS A 81 67.113 -16.567 8.576 1.00 0.00 H new ATOM 0 HB2 HIS A 81 69.423 -16.970 7.545 1.00 0.00 H new ATOM 0 HB3 HIS A 81 70.041 -15.654 8.523 1.00 0.00 H new ATOM 0 HD2 HIS A 81 71.091 -16.551 10.902 1.00 0.00 H new ATOM 0 HE1 HIS A 81 68.952 -20.177 11.196 1.00 0.00 H new ATOM 0 HE2 HIS A 81 70.757 -18.748 12.319 1.00 0.00 H new ATOM 1321 N THR A 82 67.349 -15.487 10.867 1.00 0.00 N ATOM 1322 CA THR A 82 67.184 -14.680 12.116 1.00 0.00 C ATOM 1323 C THR A 82 67.833 -15.400 13.305 1.00 0.00 C ATOM 1324 O THR A 82 68.008 -16.605 13.289 1.00 0.00 O ATOM 1325 CB THR A 82 65.665 -14.542 12.311 1.00 0.00 C ATOM 1326 OG1 THR A 82 65.409 -13.760 13.470 1.00 0.00 O ATOM 1327 CG2 THR A 82 65.013 -15.923 12.471 1.00 0.00 C ATOM 0 H THR A 82 67.133 -16.479 10.964 1.00 0.00 H new ATOM 0 HA THR A 82 67.666 -13.705 12.045 1.00 0.00 H new ATOM 0 HB THR A 82 65.241 -14.056 11.433 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.441 -13.669 13.596 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.938 -15.804 12.608 1.00 0.00 H new ATOM 0 HG22 THR A 82 65.201 -16.520 11.579 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.436 -16.427 13.340 1.00 0.00 H new ATOM 1335 N LEU A 83 68.190 -14.667 14.332 1.00 0.00 N ATOM 1336 CA LEU A 83 68.831 -15.296 15.528 1.00 0.00 C ATOM 1337 C LEU A 83 68.427 -14.547 16.809 1.00 0.00 C ATOM 1338 O LEU A 83 68.005 -13.408 16.741 1.00 0.00 O ATOM 1339 CB LEU A 83 70.348 -15.194 15.288 1.00 0.00 C ATOM 1340 CG LEU A 83 70.768 -13.729 15.064 1.00 0.00 C ATOM 1341 CD1 LEU A 83 72.197 -13.521 15.571 1.00 0.00 C ATOM 1342 CD2 LEU A 83 70.708 -13.400 13.568 1.00 0.00 C ATOM 0 H LEU A 83 68.064 -13.657 14.393 1.00 0.00 H new ATOM 0 HA LEU A 83 68.518 -16.332 15.658 1.00 0.00 H new ATOM 0 HB2 LEU A 83 70.885 -15.604 16.143 1.00 0.00 H new ATOM 0 HB3 LEU A 83 70.625 -15.793 14.421 1.00 0.00 H new ATOM 0 HG LEU A 83 70.089 -13.073 15.609 1.00 0.00 H new ATOM 0 HD11 LEU A 83 72.492 -12.484 15.412 1.00 0.00 H new ATOM 0 HD12 LEU A 83 72.243 -13.752 16.635 1.00 0.00 H new ATOM 0 HD13 LEU A 83 72.875 -14.179 15.028 1.00 0.00 H new ATOM 0 HD21 LEU A 83 71.005 -12.363 13.411 1.00 0.00 H new ATOM 0 HD22 LEU A 83 71.385 -14.058 13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 83 69.691 -13.545 13.204 1.00 0.00 H new ATOM 1354 N PRO A 84 68.564 -15.210 17.942 1.00 0.00 N ATOM 1355 CA PRO A 84 68.202 -14.576 19.239 1.00 0.00 C ATOM 1356 C PRO A 84 69.179 -13.443 19.569 1.00 0.00 C ATOM 1357 O PRO A 84 70.314 -13.519 19.128 1.00 0.00 O ATOM 1358 CB PRO A 84 68.321 -15.713 20.254 1.00 0.00 C ATOM 1359 CG PRO A 84 69.222 -16.722 19.616 1.00 0.00 C ATOM 1360 CD PRO A 84 69.060 -16.585 18.125 1.00 0.00 C ATOM 1361 OXT PRO A 84 68.775 -12.520 20.256 1.00 0.00 O ATOM 0 HA PRO A 84 67.208 -14.130 19.231 1.00 0.00 H new ATOM 0 HB2 PRO A 84 68.736 -15.356 21.197 1.00 0.00 H new ATOM 0 HB3 PRO A 84 67.345 -16.144 20.478 1.00 0.00 H new ATOM 0 HG2 PRO A 84 70.258 -16.551 19.908 1.00 0.00 H new ATOM 0 HG3 PRO A 84 68.962 -17.730 19.940 1.00 0.00 H new ATOM 0 HD2 PRO A 84 70.006 -16.740 17.605 1.00 0.00 H new ATOM 0 HD3 PRO A 84 68.356 -17.318 17.731 1.00 0.00 H new TER 1369 PRO A 84