USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 514 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 5 TYR OH : rot 94:sc= 0.843 USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0.229 USER MOD Single : A 6 TYR OH : rot 30:sc= -8.21! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 107:sc= 0.326 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.21) USER MOD Single : A 29 MET CE :methyl 159:sc= -1.23 (180deg=-2.01!) USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= -0.0335 (180deg=-0.671) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -6.89! C(o=-6.9!,f=-13!) USER MOD Single : A 36 ASN : amide:sc= -11.6! C(o=-12!,f=-16!) USER MOD Single : A 37 GLN : amide:sc= -0.471 K(o=-0.47,f=-3.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= -0.634 (180deg=-1.38!) USER MOD Single : A 50 LYS NZ :NH3+ -120:sc= -0.0589 (180deg=-0.506) USER MOD Single : A 53 TYR OH : rot 15:sc= -1.76! USER MOD Single : A 57 THR OG1 : rot -26:sc=-0.00238 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.35) USER MOD Single : A 61 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0859) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 64.581 -6.324 3.364 1.00 0.00 N ATOM 53 CA ASP A 4 63.290 -6.436 2.630 1.00 0.00 C ATOM 54 C ASP A 4 62.611 -5.079 2.598 1.00 0.00 C ATOM 55 O ASP A 4 61.928 -4.703 3.515 1.00 0.00 O ATOM 56 CB ASP A 4 62.492 -7.512 3.401 1.00 0.00 C ATOM 57 CG ASP A 4 61.144 -6.983 3.907 1.00 0.00 C ATOM 58 OD1 ASP A 4 61.112 -6.457 5.007 1.00 0.00 O ATOM 59 OD2 ASP A 4 60.170 -7.113 3.185 1.00 0.00 O ATOM 0 HA ASP A 4 63.394 -6.730 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.323 -8.371 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 4 63.083 -7.864 4.247 1.00 0.00 H new ATOM 64 N TYR A 5 62.831 -4.353 1.528 1.00 0.00 N ATOM 65 CA TYR A 5 62.241 -2.988 1.353 1.00 0.00 C ATOM 66 C TYR A 5 61.823 -2.384 2.699 1.00 0.00 C ATOM 67 O TYR A 5 62.521 -1.565 3.259 1.00 0.00 O ATOM 68 CB TYR A 5 61.036 -3.151 0.422 1.00 0.00 C ATOM 69 CG TYR A 5 60.870 -4.593 -0.008 1.00 0.00 C ATOM 70 CD1 TYR A 5 60.383 -5.548 0.892 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.215 -4.969 -1.310 1.00 0.00 C ATOM 72 CE1 TYR A 5 60.241 -6.881 0.486 1.00 0.00 C ATOM 73 CE2 TYR A 5 61.073 -6.300 -1.717 1.00 0.00 C ATOM 74 CZ TYR A 5 60.586 -7.256 -0.819 1.00 0.00 C ATOM 75 OH TYR A 5 60.449 -8.569 -1.220 1.00 0.00 O ATOM 0 H TYR A 5 63.411 -4.659 0.747 1.00 0.00 H new ATOM 0 HA TYR A 5 62.973 -2.301 0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.132 -2.813 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.163 -2.519 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 5 60.117 -5.258 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 5 61.592 -4.231 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 5 59.866 -7.620 1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.339 -6.589 -2.723 1.00 0.00 H new ATOM 0 HH TYR A 5 59.579 -8.689 -1.655 1.00 0.00 H new ATOM 85 N TYR A 6 60.711 -2.800 3.249 1.00 0.00 N ATOM 86 CA TYR A 6 60.323 -2.260 4.578 1.00 0.00 C ATOM 87 C TYR A 6 61.558 -2.270 5.481 1.00 0.00 C ATOM 88 O TYR A 6 61.745 -1.399 6.306 1.00 0.00 O ATOM 89 CB TYR A 6 59.242 -3.194 5.097 1.00 0.00 C ATOM 90 CG TYR A 6 57.932 -2.823 4.447 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.344 -1.588 4.742 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.309 -3.701 3.549 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.134 -1.232 4.144 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.094 -3.339 2.949 1.00 0.00 C ATOM 95 CZ TYR A 6 55.512 -2.102 3.253 1.00 0.00 C ATOM 96 OH TYR A 6 54.322 -1.731 2.676 1.00 0.00 O ATOM 0 H TYR A 6 60.068 -3.478 2.841 1.00 0.00 H new ATOM 0 HA TYR A 6 59.952 -1.236 4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.496 -4.230 4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.162 -3.115 6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.826 -0.911 5.432 1.00 0.00 H new ATOM 0 HD2 TYR A 6 57.763 -4.654 3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.679 -0.279 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 6 55.610 -4.011 2.256 1.00 0.00 H new ATOM 0 HH TYR A 6 54.291 -0.755 2.588 1.00 0.00 H new ATOM 106 N GLU A 7 62.437 -3.224 5.283 1.00 0.00 N ATOM 107 CA GLU A 7 63.690 -3.256 6.082 1.00 0.00 C ATOM 108 C GLU A 7 64.730 -2.420 5.342 1.00 0.00 C ATOM 109 O GLU A 7 65.575 -1.774 5.929 1.00 0.00 O ATOM 110 CB GLU A 7 64.104 -4.725 6.130 1.00 0.00 C ATOM 111 CG GLU A 7 64.189 -5.181 7.585 1.00 0.00 C ATOM 112 CD GLU A 7 62.848 -4.922 8.275 1.00 0.00 C ATOM 113 OE1 GLU A 7 61.971 -5.763 8.156 1.00 0.00 O ATOM 114 OE2 GLU A 7 62.720 -3.888 8.910 1.00 0.00 O ATOM 0 H GLU A 7 62.336 -3.977 4.603 1.00 0.00 H new ATOM 0 HA GLU A 7 63.578 -2.857 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.382 -5.336 5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.068 -4.859 5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.436 -6.242 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.986 -4.645 8.100 1.00 0.00 H new ATOM 121 N ILE A 8 64.643 -2.424 4.039 1.00 0.00 N ATOM 122 CA ILE A 8 65.584 -1.631 3.204 1.00 0.00 C ATOM 123 C ILE A 8 65.597 -0.180 3.667 1.00 0.00 C ATOM 124 O ILE A 8 66.631 0.414 3.901 1.00 0.00 O ATOM 125 CB ILE A 8 64.993 -1.700 1.813 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.158 -3.118 1.257 1.00 0.00 C ATOM 127 CG2 ILE A 8 65.694 -0.707 0.900 1.00 0.00 C ATOM 128 CD1 ILE A 8 66.617 -3.349 0.857 1.00 0.00 C ATOM 0 H ILE A 8 63.948 -2.952 3.512 1.00 0.00 H new ATOM 0 HA ILE A 8 66.606 -2.007 3.258 1.00 0.00 H new ATOM 0 HB ILE A 8 63.933 -1.450 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 8 64.856 -3.850 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.508 -3.258 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.262 -0.764 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.567 0.302 1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 8 66.756 -0.946 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 8 66.731 -4.359 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 8 66.904 -2.626 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 8 67.257 -3.227 1.731 1.00 0.00 H new ATOM 140 N LEU A 9 64.431 0.387 3.783 1.00 0.00 N ATOM 141 CA LEU A 9 64.307 1.809 4.214 1.00 0.00 C ATOM 142 C LEU A 9 64.499 1.908 5.730 1.00 0.00 C ATOM 143 O LEU A 9 64.544 2.980 6.295 1.00 0.00 O ATOM 144 CB LEU A 9 62.887 2.198 3.796 1.00 0.00 C ATOM 145 CG LEU A 9 62.648 1.739 2.356 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.438 0.807 2.307 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.396 2.957 1.465 1.00 0.00 C ATOM 0 H LEU A 9 63.544 -0.080 3.595 1.00 0.00 H new ATOM 0 HA LEU A 9 65.053 2.468 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 9 62.159 1.738 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.754 3.277 3.874 1.00 0.00 H new ATOM 0 HG LEU A 9 63.528 1.205 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.270 0.482 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.623 -0.063 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.556 1.336 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.226 2.629 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.519 3.495 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.264 3.616 1.496 1.00 0.00 H new ATOM 159 N GLY A 10 64.630 0.792 6.392 1.00 0.00 N ATOM 160 CA GLY A 10 64.833 0.824 7.865 1.00 0.00 C ATOM 161 C GLY A 10 63.481 0.886 8.572 1.00 0.00 C ATOM 162 O GLY A 10 63.402 1.162 9.753 1.00 0.00 O ATOM 0 H GLY A 10 64.605 -0.139 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.381 -0.062 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.437 1.689 8.139 1.00 0.00 H new ATOM 166 N VAL A 11 62.412 0.630 7.868 1.00 0.00 N ATOM 167 CA VAL A 11 61.071 0.680 8.531 1.00 0.00 C ATOM 168 C VAL A 11 60.578 -0.728 8.841 1.00 0.00 C ATOM 169 O VAL A 11 61.224 -1.712 8.542 1.00 0.00 O ATOM 170 CB VAL A 11 60.083 1.338 7.554 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.426 2.534 8.234 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.772 1.809 6.278 1.00 0.00 C ATOM 0 H VAL A 11 62.404 0.391 6.876 1.00 0.00 H new ATOM 0 HA VAL A 11 61.146 1.243 9.461 1.00 0.00 H new ATOM 0 HB VAL A 11 59.338 0.591 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.724 3.004 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.892 2.199 9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.191 3.255 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.038 2.268 5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.541 2.540 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.231 0.957 5.776 1.00 0.00 H new ATOM 182 N SER A 12 59.417 -0.824 9.421 1.00 0.00 N ATOM 183 CA SER A 12 58.853 -2.159 9.729 1.00 0.00 C ATOM 184 C SER A 12 58.058 -2.663 8.534 1.00 0.00 C ATOM 185 O SER A 12 57.489 -1.891 7.790 1.00 0.00 O ATOM 186 CB SER A 12 57.941 -1.942 10.936 1.00 0.00 C ATOM 187 OG SER A 12 57.869 -3.146 11.689 1.00 0.00 O ATOM 0 H SER A 12 58.835 -0.032 9.695 1.00 0.00 H new ATOM 0 HA SER A 12 59.623 -2.901 9.941 1.00 0.00 H new ATOM 0 HB2 SER A 12 58.326 -1.133 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 12 56.945 -1.645 10.606 1.00 0.00 H new ATOM 0 HG SER A 12 57.286 -3.012 12.466 1.00 0.00 H new ATOM 193 N LYS A 13 57.992 -3.949 8.343 1.00 0.00 N ATOM 194 CA LYS A 13 57.202 -4.464 7.200 1.00 0.00 C ATOM 195 C LYS A 13 55.807 -3.857 7.268 1.00 0.00 C ATOM 196 O LYS A 13 55.085 -3.799 6.292 1.00 0.00 O ATOM 197 CB LYS A 13 57.172 -5.975 7.372 1.00 0.00 C ATOM 198 CG LYS A 13 56.516 -6.334 8.707 1.00 0.00 C ATOM 199 CD LYS A 13 57.067 -7.673 9.202 1.00 0.00 C ATOM 200 CE LYS A 13 57.104 -7.677 10.732 1.00 0.00 C ATOM 201 NZ LYS A 13 56.829 -9.087 11.123 1.00 0.00 N ATOM 0 H LYS A 13 58.445 -4.656 8.922 1.00 0.00 H new ATOM 0 HA LYS A 13 57.623 -4.205 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.620 -6.432 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 13 58.186 -6.374 7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 13 56.712 -5.554 9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.434 -6.395 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 13 56.443 -8.491 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.068 -7.836 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 13 58.074 -7.347 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 13 56.357 -7.000 11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 56.838 -9.168 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 55.896 -9.372 10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 57.560 -9.708 10.721 1.00 0.00 H new ATOM 215 N THR A 14 55.436 -3.381 8.424 1.00 0.00 N ATOM 216 CA THR A 14 54.107 -2.748 8.583 1.00 0.00 C ATOM 217 C THR A 14 54.272 -1.224 8.624 1.00 0.00 C ATOM 218 O THR A 14 53.364 -0.511 8.995 1.00 0.00 O ATOM 219 CB THR A 14 53.570 -3.277 9.918 1.00 0.00 C ATOM 220 OG1 THR A 14 54.093 -2.491 10.979 1.00 0.00 O ATOM 221 CG2 THR A 14 53.994 -4.738 10.104 1.00 0.00 C ATOM 0 H THR A 14 56.005 -3.406 9.270 1.00 0.00 H new ATOM 0 HA THR A 14 53.427 -2.978 7.763 1.00 0.00 H new ATOM 0 HB THR A 14 52.482 -3.217 9.921 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.750 -2.826 11.834 1.00 0.00 H new ATOM 0 HG21 THR A 14 53.610 -5.110 11.054 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.592 -5.340 9.289 1.00 0.00 H new ATOM 0 HG23 THR A 14 55.082 -4.804 10.101 1.00 0.00 H new ATOM 229 N ALA A 15 55.433 -0.726 8.249 1.00 0.00 N ATOM 230 CA ALA A 15 55.677 0.747 8.253 1.00 0.00 C ATOM 231 C ALA A 15 54.583 1.500 7.482 1.00 0.00 C ATOM 232 O ALA A 15 53.403 1.301 7.684 1.00 0.00 O ATOM 233 CB ALA A 15 57.025 0.889 7.556 1.00 0.00 C ATOM 0 H ALA A 15 56.225 -1.288 7.938 1.00 0.00 H new ATOM 0 HA ALA A 15 55.668 1.168 9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.300 1.943 7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.784 0.342 8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.957 0.484 6.546 1.00 0.00 H new ATOM 239 N GLU A 16 54.967 2.374 6.603 1.00 0.00 N ATOM 240 CA GLU A 16 53.976 3.145 5.826 1.00 0.00 C ATOM 241 C GLU A 16 54.693 3.971 4.760 1.00 0.00 C ATOM 242 O GLU A 16 55.902 4.059 4.724 1.00 0.00 O ATOM 243 CB GLU A 16 53.283 4.046 6.843 1.00 0.00 C ATOM 244 CG GLU A 16 51.814 3.642 6.947 1.00 0.00 C ATOM 245 CD GLU A 16 51.049 4.687 7.762 1.00 0.00 C ATOM 246 OE1 GLU A 16 51.653 5.285 8.639 1.00 0.00 O ATOM 247 OE2 GLU A 16 49.873 4.872 7.497 1.00 0.00 O ATOM 0 H GLU A 16 55.941 2.588 6.389 1.00 0.00 H new ATOM 0 HA GLU A 16 53.259 2.508 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.767 3.958 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.366 5.090 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.380 3.554 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.728 2.664 7.420 1.00 0.00 H new ATOM 254 N GLU A 17 53.944 4.552 3.885 1.00 0.00 N ATOM 255 CA GLU A 17 54.537 5.361 2.778 1.00 0.00 C ATOM 256 C GLU A 17 55.288 6.596 3.296 1.00 0.00 C ATOM 257 O GLU A 17 56.285 6.997 2.727 1.00 0.00 O ATOM 258 CB GLU A 17 53.338 5.795 1.935 1.00 0.00 C ATOM 259 CG GLU A 17 53.791 6.832 0.907 1.00 0.00 C ATOM 260 CD GLU A 17 52.988 8.121 1.089 1.00 0.00 C ATOM 261 OE1 GLU A 17 51.895 8.044 1.626 1.00 0.00 O ATOM 262 OE2 GLU A 17 53.480 9.163 0.689 1.00 0.00 O ATOM 0 H GLU A 17 52.925 4.506 3.881 1.00 0.00 H new ATOM 0 HA GLU A 17 55.271 4.781 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.902 4.932 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.562 6.215 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 17 54.855 7.035 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.651 6.444 -0.102 1.00 0.00 H new ATOM 269 N ARG A 18 54.819 7.225 4.339 1.00 0.00 N ATOM 270 CA ARG A 18 55.521 8.451 4.830 1.00 0.00 C ATOM 271 C ARG A 18 56.689 8.101 5.755 1.00 0.00 C ATOM 272 O ARG A 18 57.513 8.939 6.063 1.00 0.00 O ATOM 273 CB ARG A 18 54.457 9.263 5.569 1.00 0.00 C ATOM 274 CG ARG A 18 53.938 8.470 6.769 1.00 0.00 C ATOM 275 CD ARG A 18 53.736 9.416 7.956 1.00 0.00 C ATOM 276 NE ARG A 18 52.948 10.558 7.408 1.00 0.00 N ATOM 277 CZ ARG A 18 52.522 11.500 8.206 1.00 0.00 C ATOM 278 NH1 ARG A 18 53.018 11.610 9.408 1.00 0.00 N ATOM 279 NH2 ARG A 18 51.603 12.334 7.799 1.00 0.00 N ATOM 0 H ARG A 18 53.992 6.950 4.868 1.00 0.00 H new ATOM 0 HA ARG A 18 55.958 9.013 4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.878 10.211 5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.634 9.499 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.998 7.981 6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.646 7.684 7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 18 53.203 8.922 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.691 9.753 8.360 1.00 0.00 H new ATOM 0 HE ARG A 18 52.742 10.603 6.410 1.00 0.00 H new ATOM 0 HH11 ARG A 18 53.738 10.960 9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 18 52.686 12.346 10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.218 12.249 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.270 13.070 8.422 1.00 0.00 H new ATOM 293 N GLU A 19 56.801 6.872 6.163 1.00 0.00 N ATOM 294 CA GLU A 19 57.954 6.481 7.021 1.00 0.00 C ATOM 295 C GLU A 19 58.946 5.747 6.133 1.00 0.00 C ATOM 296 O GLU A 19 60.122 5.650 6.424 1.00 0.00 O ATOM 297 CB GLU A 19 57.435 5.551 8.137 1.00 0.00 C ATOM 298 CG GLU A 19 55.959 5.190 7.938 1.00 0.00 C ATOM 299 CD GLU A 19 55.378 4.700 9.268 1.00 0.00 C ATOM 300 OE1 GLU A 19 55.653 3.568 9.630 1.00 0.00 O ATOM 301 OE2 GLU A 19 54.668 5.464 9.900 1.00 0.00 O ATOM 0 H GLU A 19 56.147 6.121 5.942 1.00 0.00 H new ATOM 0 HA GLU A 19 58.435 7.345 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.032 4.639 8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.563 6.037 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 19 55.404 6.058 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 19 55.861 4.416 7.177 1.00 0.00 H new ATOM 308 N ILE A 20 58.466 5.257 5.022 1.00 0.00 N ATOM 309 CA ILE A 20 59.349 4.554 4.064 1.00 0.00 C ATOM 310 C ILE A 20 60.004 5.596 3.166 1.00 0.00 C ATOM 311 O ILE A 20 61.210 5.731 3.130 1.00 0.00 O ATOM 312 CB ILE A 20 58.413 3.658 3.265 1.00 0.00 C ATOM 313 CG1 ILE A 20 57.881 2.546 4.183 1.00 0.00 C ATOM 314 CG2 ILE A 20 59.182 3.066 2.086 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.880 1.390 4.255 1.00 0.00 C ATOM 0 H ILE A 20 57.488 5.318 4.739 1.00 0.00 H new ATOM 0 HA ILE A 20 60.142 3.975 4.538 1.00 0.00 H new ATOM 0 HB ILE A 20 57.568 4.230 2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 20 57.704 2.944 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 20 56.923 2.184 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.520 2.422 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 20 59.552 3.871 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 20 60.024 2.481 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.488 0.611 4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 20 59.036 0.981 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 20 59.829 1.753 4.651 1.00 0.00 H new ATOM 327 N ARG A 21 59.212 6.370 2.475 1.00 0.00 N ATOM 328 CA ARG A 21 59.796 7.438 1.627 1.00 0.00 C ATOM 329 C ARG A 21 60.653 8.313 2.530 1.00 0.00 C ATOM 330 O ARG A 21 61.620 8.920 2.117 1.00 0.00 O ATOM 331 CB ARG A 21 58.596 8.221 1.094 1.00 0.00 C ATOM 332 CG ARG A 21 57.909 8.945 2.254 1.00 0.00 C ATOM 333 CD ARG A 21 58.622 10.271 2.524 1.00 0.00 C ATOM 334 NE ARG A 21 57.582 11.314 2.307 1.00 0.00 N ATOM 335 CZ ARG A 21 56.545 11.378 3.099 1.00 0.00 C ATOM 336 NH1 ARG A 21 56.713 11.468 4.390 1.00 0.00 N ATOM 337 NH2 ARG A 21 55.341 11.351 2.598 1.00 0.00 N ATOM 0 H ARG A 21 58.194 6.307 2.463 1.00 0.00 H new ATOM 0 HA ARG A 21 60.413 7.069 0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 21 58.921 8.941 0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 21 57.894 7.545 0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 21 56.861 9.126 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 21 57.928 8.321 3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.014 10.309 3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.468 10.410 1.850 1.00 0.00 H new ATOM 0 HE ARG A 21 57.679 11.979 1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 21 57.655 11.488 4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 21 55.903 11.518 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 21 55.210 11.280 1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 21 54.531 11.401 3.215 1.00 0.00 H new ATOM 351 N LYS A 22 60.286 8.351 3.781 1.00 0.00 N ATOM 352 CA LYS A 22 61.034 9.147 4.784 1.00 0.00 C ATOM 353 C LYS A 22 62.296 8.388 5.209 1.00 0.00 C ATOM 354 O LYS A 22 63.370 8.947 5.321 1.00 0.00 O ATOM 355 CB LYS A 22 60.056 9.265 5.959 1.00 0.00 C ATOM 356 CG LYS A 22 60.820 9.584 7.246 1.00 0.00 C ATOM 357 CD LYS A 22 61.801 10.729 6.993 1.00 0.00 C ATOM 358 CE LYS A 22 61.038 12.055 6.957 1.00 0.00 C ATOM 359 NZ LYS A 22 62.071 13.100 7.196 1.00 0.00 N ATOM 0 H LYS A 22 59.480 7.851 4.155 1.00 0.00 H new ATOM 0 HA LYS A 22 61.358 10.118 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.325 10.048 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 22 59.502 8.334 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.121 9.859 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.358 8.700 7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 22 62.558 10.754 7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.324 10.572 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.544 12.200 5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.262 12.085 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 61.624 14.039 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.519 12.940 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 62.793 13.052 6.449 1.00 0.00 H new ATOM 373 N ALA A 23 62.168 7.111 5.440 1.00 0.00 N ATOM 374 CA ALA A 23 63.344 6.297 5.855 1.00 0.00 C ATOM 375 C ALA A 23 64.522 6.602 4.936 1.00 0.00 C ATOM 376 O ALA A 23 65.594 6.963 5.379 1.00 0.00 O ATOM 377 CB ALA A 23 62.901 4.847 5.689 1.00 0.00 C ATOM 0 H ALA A 23 61.293 6.593 5.358 1.00 0.00 H new ATOM 0 HA ALA A 23 63.661 6.507 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 23 63.716 4.182 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.036 4.656 6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.634 4.665 4.648 1.00 0.00 H new ATOM 383 N TYR A 24 64.316 6.497 3.655 1.00 0.00 N ATOM 384 CA TYR A 24 65.400 6.818 2.706 1.00 0.00 C ATOM 385 C TYR A 24 65.721 8.284 2.904 1.00 0.00 C ATOM 386 O TYR A 24 66.831 8.668 3.195 1.00 0.00 O ATOM 387 CB TYR A 24 64.791 6.566 1.327 1.00 0.00 C ATOM 388 CG TYR A 24 65.876 6.594 0.277 1.00 0.00 C ATOM 389 CD1 TYR A 24 67.114 5.992 0.530 1.00 0.00 C ATOM 390 CD2 TYR A 24 65.644 7.227 -0.950 1.00 0.00 C ATOM 391 CE1 TYR A 24 68.119 6.024 -0.443 1.00 0.00 C ATOM 392 CE2 TYR A 24 66.649 7.259 -1.923 1.00 0.00 C ATOM 393 CZ TYR A 24 67.887 6.658 -1.669 1.00 0.00 C ATOM 394 OH TYR A 24 68.879 6.689 -2.628 1.00 0.00 O ATOM 0 H TYR A 24 63.438 6.201 3.228 1.00 0.00 H new ATOM 0 HA TYR A 24 66.313 6.237 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.284 5.601 1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 24 64.039 7.324 1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.293 5.503 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 24 64.689 7.691 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 24 69.074 5.559 -0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 24 66.469 7.747 -2.869 1.00 0.00 H new ATOM 0 HH TYR A 24 68.652 6.071 -3.354 1.00 0.00 H new ATOM 404 N LYS A 25 64.715 9.092 2.801 1.00 0.00 N ATOM 405 CA LYS A 25 64.879 10.543 3.026 1.00 0.00 C ATOM 406 C LYS A 25 65.808 10.783 4.219 1.00 0.00 C ATOM 407 O LYS A 25 66.508 11.773 4.288 1.00 0.00 O ATOM 408 CB LYS A 25 63.462 10.988 3.358 1.00 0.00 C ATOM 409 CG LYS A 25 62.981 12.016 2.335 1.00 0.00 C ATOM 410 CD LYS A 25 61.690 11.511 1.689 1.00 0.00 C ATOM 411 CE LYS A 25 61.034 12.646 0.900 1.00 0.00 C ATOM 412 NZ LYS A 25 61.902 12.836 -0.297 1.00 0.00 N ATOM 0 H LYS A 25 63.766 8.801 2.565 1.00 0.00 H new ATOM 0 HA LYS A 25 65.314 11.076 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 25 62.794 10.127 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 25 63.433 11.418 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 25 62.808 12.977 2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.745 12.176 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 25 61.906 10.672 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.007 11.145 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 25 60.015 12.388 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 25 60.976 13.558 1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 61.410 13.434 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 62.790 13.295 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 62.112 11.911 -0.724 1.00 0.00 H new ATOM 426 N ARG A 26 65.810 9.877 5.161 1.00 0.00 N ATOM 427 CA ARG A 26 66.684 10.041 6.357 1.00 0.00 C ATOM 428 C ARG A 26 68.089 9.504 6.069 1.00 0.00 C ATOM 429 O ARG A 26 69.081 10.145 6.352 1.00 0.00 O ATOM 430 CB ARG A 26 66.012 9.210 7.452 1.00 0.00 C ATOM 431 CG ARG A 26 64.661 9.830 7.807 1.00 0.00 C ATOM 432 CD ARG A 26 64.675 10.291 9.267 1.00 0.00 C ATOM 433 NE ARG A 26 65.688 11.382 9.316 1.00 0.00 N ATOM 434 CZ ARG A 26 66.296 11.658 10.435 1.00 0.00 C ATOM 435 NH1 ARG A 26 65.674 12.323 11.370 1.00 0.00 N ATOM 436 NH2 ARG A 26 67.528 11.270 10.621 1.00 0.00 N ATOM 0 H ARG A 26 65.243 9.029 5.153 1.00 0.00 H new ATOM 0 HA ARG A 26 66.797 11.087 6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 26 65.875 8.184 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 26 66.649 9.170 8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 26 64.453 10.675 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 26 63.864 9.103 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 26 63.693 10.649 9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 26 64.942 9.474 9.937 1.00 0.00 H new ATOM 0 HE ARG A 26 65.906 11.913 8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 26 64.711 12.627 11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 26 66.151 12.539 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 26 68.015 10.751 9.890 1.00 0.00 H new ATOM 0 HH22 ARG A 26 68.004 11.486 11.497 1.00 0.00 H new ATOM 450 N LEU A 27 68.180 8.330 5.508 1.00 0.00 N ATOM 451 CA LEU A 27 69.515 7.753 5.199 1.00 0.00 C ATOM 452 C LEU A 27 70.060 8.369 3.919 1.00 0.00 C ATOM 453 O LEU A 27 71.243 8.588 3.774 1.00 0.00 O ATOM 454 CB LEU A 27 69.277 6.249 5.029 1.00 0.00 C ATOM 455 CG LEU A 27 68.670 5.954 3.657 1.00 0.00 C ATOM 456 CD1 LEU A 27 69.785 5.842 2.615 1.00 0.00 C ATOM 457 CD2 LEU A 27 67.902 4.632 3.724 1.00 0.00 C ATOM 0 H LEU A 27 67.385 7.745 5.250 1.00 0.00 H new ATOM 0 HA LEU A 27 70.246 7.952 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 27 70.219 5.711 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 27 68.610 5.890 5.813 1.00 0.00 H new ATOM 0 HG LEU A 27 67.994 6.761 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.350 5.632 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.338 6.780 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 27 70.462 5.034 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.466 4.415 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 27 68.584 3.829 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.108 4.710 4.467 1.00 0.00 H new ATOM 469 N ALA A 28 69.193 8.655 2.993 1.00 0.00 N ATOM 470 CA ALA A 28 69.627 9.255 1.715 1.00 0.00 C ATOM 471 C ALA A 28 70.092 10.683 1.958 1.00 0.00 C ATOM 472 O ALA A 28 71.129 11.095 1.477 1.00 0.00 O ATOM 473 CB ALA A 28 68.374 9.203 0.843 1.00 0.00 C ATOM 0 H ALA A 28 68.189 8.495 3.073 1.00 0.00 H new ATOM 0 HA ALA A 28 70.464 8.739 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.594 9.629 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.056 8.167 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 28 67.577 9.776 1.317 1.00 0.00 H new ATOM 479 N MET A 29 69.364 11.435 2.731 1.00 0.00 N ATOM 480 CA MET A 29 69.824 12.815 3.019 1.00 0.00 C ATOM 481 C MET A 29 71.169 12.704 3.728 1.00 0.00 C ATOM 482 O MET A 29 72.016 13.571 3.639 1.00 0.00 O ATOM 483 CB MET A 29 68.763 13.425 3.938 1.00 0.00 C ATOM 484 CG MET A 29 68.808 12.735 5.304 1.00 0.00 C ATOM 485 SD MET A 29 67.859 13.703 6.503 1.00 0.00 S ATOM 486 CE MET A 29 68.965 13.461 7.916 1.00 0.00 C ATOM 0 H MET A 29 68.485 11.159 3.169 1.00 0.00 H new ATOM 0 HA MET A 29 69.948 13.433 2.129 1.00 0.00 H new ATOM 0 HB2 MET A 29 68.939 14.494 4.054 1.00 0.00 H new ATOM 0 HB3 MET A 29 67.774 13.311 3.494 1.00 0.00 H new ATOM 0 HG2 MET A 29 68.398 11.728 5.228 1.00 0.00 H new ATOM 0 HG3 MET A 29 69.841 12.634 5.638 1.00 0.00 H new ATOM 0 HE1 MET A 29 68.794 14.248 8.651 1.00 0.00 H new ATOM 0 HE2 MET A 29 68.767 12.490 8.371 1.00 0.00 H new ATOM 0 HE3 MET A 29 70.001 13.499 7.578 1.00 0.00 H new ATOM 496 N LYS A 30 71.367 11.613 4.420 1.00 0.00 N ATOM 497 CA LYS A 30 72.655 11.391 5.132 1.00 0.00 C ATOM 498 C LYS A 30 73.650 10.695 4.197 1.00 0.00 C ATOM 499 O LYS A 30 74.838 10.667 4.452 1.00 0.00 O ATOM 500 CB LYS A 30 72.307 10.490 6.317 1.00 0.00 C ATOM 501 CG LYS A 30 72.385 11.297 7.615 1.00 0.00 C ATOM 502 CD LYS A 30 71.191 10.946 8.507 1.00 0.00 C ATOM 503 CE LYS A 30 71.667 10.096 9.687 1.00 0.00 C ATOM 504 NZ LYS A 30 72.273 8.881 9.072 1.00 0.00 N ATOM 0 H LYS A 30 70.685 10.862 4.522 1.00 0.00 H new ATOM 0 HA LYS A 30 73.117 12.323 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 30 71.305 10.079 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 30 72.995 9.646 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.318 11.079 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.385 12.364 7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 30 70.715 11.857 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 30 70.442 10.402 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 30 72.395 10.636 10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 30 70.837 9.833 10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 72.204 8.084 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 71.765 8.646 8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 73.273 9.064 8.854 1.00 0.00 H new ATOM 518 N TYR A 31 73.173 10.125 3.117 1.00 0.00 N ATOM 519 CA TYR A 31 74.100 9.429 2.174 1.00 0.00 C ATOM 520 C TYR A 31 74.071 10.087 0.805 1.00 0.00 C ATOM 521 O TYR A 31 74.480 9.513 -0.181 1.00 0.00 O ATOM 522 CB TYR A 31 73.591 7.999 2.066 1.00 0.00 C ATOM 523 CG TYR A 31 74.383 7.103 2.989 1.00 0.00 C ATOM 524 CD1 TYR A 31 75.760 7.302 3.154 1.00 0.00 C ATOM 525 CD2 TYR A 31 73.737 6.078 3.688 1.00 0.00 C ATOM 526 CE1 TYR A 31 76.487 6.477 4.015 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.466 5.251 4.549 1.00 0.00 C ATOM 528 CZ TYR A 31 75.842 5.451 4.713 1.00 0.00 C ATOM 529 OH TYR A 31 76.561 4.636 5.563 1.00 0.00 O ATOM 0 H TYR A 31 72.189 10.112 2.850 1.00 0.00 H new ATOM 0 HA TYR A 31 75.128 9.472 2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.533 7.959 2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.681 7.648 1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 31 76.259 8.094 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 31 72.675 5.925 3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 31 77.548 6.631 4.142 1.00 0.00 H new ATOM 0 HE2 TYR A 31 73.968 4.458 5.087 1.00 0.00 H new ATOM 0 HH TYR A 31 75.961 3.976 5.969 1.00 0.00 H new ATOM 539 N HIS A 32 73.588 11.280 0.760 1.00 0.00 N ATOM 540 CA HIS A 32 73.514 12.043 -0.513 1.00 0.00 C ATOM 541 C HIS A 32 74.895 12.095 -1.190 1.00 0.00 C ATOM 542 O HIS A 32 75.675 11.186 -1.010 1.00 0.00 O ATOM 543 CB HIS A 32 72.992 13.381 -0.014 1.00 0.00 C ATOM 544 CG HIS A 32 74.052 14.058 0.821 1.00 0.00 C ATOM 545 ND1 HIS A 32 73.881 14.275 2.180 1.00 0.00 N ATOM 546 CD2 HIS A 32 75.301 14.553 0.521 1.00 0.00 C ATOM 547 CE1 HIS A 32 74.993 14.875 2.641 1.00 0.00 C ATOM 548 NE2 HIS A 32 75.891 15.068 1.672 1.00 0.00 N ATOM 0 H HIS A 32 73.228 11.780 1.573 1.00 0.00 H new ATOM 0 HA HIS A 32 72.881 11.623 -1.294 1.00 0.00 H new ATOM 0 HB2 HIS A 32 72.720 14.015 -0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.088 13.233 0.577 1.00 0.00 H new ATOM 0 HD1 HIS A 32 73.060 14.025 2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 32 75.755 14.543 -0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 32 75.142 15.166 3.671 1.00 0.00 H new ATOM 556 N PRO A 33 75.180 13.105 -1.979 1.00 0.00 N ATOM 557 CA PRO A 33 76.494 13.132 -2.667 1.00 0.00 C ATOM 558 C PRO A 33 77.646 13.284 -1.668 1.00 0.00 C ATOM 559 O PRO A 33 78.506 14.131 -1.807 1.00 0.00 O ATOM 560 CB PRO A 33 76.385 14.314 -3.624 1.00 0.00 C ATOM 561 CG PRO A 33 75.331 15.184 -3.034 1.00 0.00 C ATOM 562 CD PRO A 33 74.376 14.290 -2.303 1.00 0.00 C ATOM 0 HA PRO A 33 76.716 12.205 -3.195 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.334 14.844 -3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.112 13.987 -4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.771 15.914 -2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 33 74.814 15.744 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 33 73.989 14.769 -1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 33 73.516 14.033 -2.922 1.00 0.00 H new ATOM 570 N ASP A 34 77.678 12.429 -0.683 1.00 0.00 N ATOM 571 CA ASP A 34 78.777 12.453 0.319 1.00 0.00 C ATOM 572 C ASP A 34 79.630 11.207 0.093 1.00 0.00 C ATOM 573 O ASP A 34 80.845 11.248 0.114 1.00 0.00 O ATOM 574 CB ASP A 34 78.086 12.396 1.684 1.00 0.00 C ATOM 575 CG ASP A 34 77.450 11.019 1.883 1.00 0.00 C ATOM 576 OD1 ASP A 34 76.671 10.619 1.034 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.752 10.387 2.883 1.00 0.00 O ATOM 0 H ASP A 34 76.977 11.704 -0.529 1.00 0.00 H new ATOM 0 HA ASP A 34 79.416 13.333 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.808 12.592 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.324 13.172 1.749 1.00 0.00 H new ATOM 582 N ARG A 35 78.980 10.100 -0.151 1.00 0.00 N ATOM 583 CA ARG A 35 79.705 8.834 -0.415 1.00 0.00 C ATOM 584 C ARG A 35 79.035 8.105 -1.585 1.00 0.00 C ATOM 585 O ARG A 35 79.664 7.348 -2.298 1.00 0.00 O ATOM 586 CB ARG A 35 79.568 8.017 0.873 1.00 0.00 C ATOM 587 CG ARG A 35 78.085 7.778 1.180 1.00 0.00 C ATOM 588 CD ARG A 35 77.538 6.676 0.271 1.00 0.00 C ATOM 589 NE ARG A 35 77.088 5.586 1.182 1.00 0.00 N ATOM 590 CZ ARG A 35 77.851 4.546 1.379 1.00 0.00 C ATOM 591 NH1 ARG A 35 78.363 3.912 0.360 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.103 4.138 2.593 1.00 0.00 N ATOM 0 H ARG A 35 77.963 10.024 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 35 80.751 8.994 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.085 7.063 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.040 8.545 1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 35 77.962 7.494 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.521 8.698 1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 35 76.711 7.044 -0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 35 78.305 6.320 -0.417 1.00 0.00 H new ATOM 0 HE ARG A 35 76.185 5.653 1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 35 78.167 4.230 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 35 78.960 3.099 0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 35 77.703 4.632 3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 35 78.700 3.325 2.744 1.00 0.00 H new ATOM 606 N ASN A 36 77.751 8.313 -1.777 1.00 0.00 N ATOM 607 CA ASN A 36 77.039 7.619 -2.881 1.00 0.00 C ATOM 608 C ASN A 36 77.851 7.704 -4.174 1.00 0.00 C ATOM 609 O ASN A 36 77.703 6.891 -5.066 1.00 0.00 O ATOM 610 CB ASN A 36 75.716 8.367 -3.011 1.00 0.00 C ATOM 611 CG ASN A 36 74.672 7.708 -2.106 1.00 0.00 C ATOM 612 OD1 ASN A 36 74.932 6.686 -1.502 1.00 0.00 O ATOM 613 ND2 ASN A 36 73.492 8.254 -1.984 1.00 0.00 N ATOM 0 H ASN A 36 77.173 8.935 -1.212 1.00 0.00 H new ATOM 0 HA ASN A 36 76.889 6.557 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 36 75.847 9.413 -2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 36 75.377 8.353 -4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 36 72.790 7.823 -1.382 1.00 0.00 H new ATOM 0 HD22 ASN A 36 73.272 9.112 -2.490 1.00 0.00 H new ATOM 620 N GLN A 37 78.719 8.672 -4.278 1.00 0.00 N ATOM 621 CA GLN A 37 79.551 8.797 -5.506 1.00 0.00 C ATOM 622 C GLN A 37 80.367 7.518 -5.718 1.00 0.00 C ATOM 623 O GLN A 37 80.927 7.299 -6.772 1.00 0.00 O ATOM 624 CB GLN A 37 80.475 9.984 -5.235 1.00 0.00 C ATOM 625 CG GLN A 37 79.651 11.165 -4.716 1.00 0.00 C ATOM 626 CD GLN A 37 80.130 12.452 -5.390 1.00 0.00 C ATOM 627 OE1 GLN A 37 80.819 12.407 -6.390 1.00 0.00 O ATOM 628 NE2 GLN A 37 79.792 13.605 -4.881 1.00 0.00 N ATOM 0 H GLN A 37 78.888 9.382 -3.565 1.00 0.00 H new ATOM 0 HA GLN A 37 78.950 8.945 -6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 37 81.235 9.708 -4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 37 80.999 10.266 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 37 78.593 11.004 -4.924 1.00 0.00 H new ATOM 0 HG3 GLN A 37 79.754 11.248 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 37 79.214 13.642 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 37 80.106 14.469 -5.323 1.00 0.00 H new ATOM 637 N GLY A 38 80.436 6.675 -4.718 1.00 0.00 N ATOM 638 CA GLY A 38 81.213 5.410 -4.858 1.00 0.00 C ATOM 639 C GLY A 38 80.960 4.798 -6.236 1.00 0.00 C ATOM 640 O GLY A 38 81.880 4.416 -6.931 1.00 0.00 O ATOM 0 H GLY A 38 79.987 6.810 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 38 82.277 5.609 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 38 80.923 4.706 -4.078 1.00 0.00 H new ATOM 644 N ASP A 39 79.717 4.702 -6.639 1.00 0.00 N ATOM 645 CA ASP A 39 79.396 4.115 -7.980 1.00 0.00 C ATOM 646 C ASP A 39 79.621 2.600 -7.975 1.00 0.00 C ATOM 647 O ASP A 39 78.755 1.834 -8.343 1.00 0.00 O ATOM 648 CB ASP A 39 80.359 4.789 -8.956 1.00 0.00 C ATOM 649 CG ASP A 39 79.575 5.387 -10.126 1.00 0.00 C ATOM 650 OD1 ASP A 39 79.019 4.620 -10.895 1.00 0.00 O ATOM 651 OD2 ASP A 39 79.545 6.602 -10.235 1.00 0.00 O ATOM 0 H ASP A 39 78.908 5.005 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 39 78.354 4.279 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 39 80.921 5.571 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 39 81.084 4.064 -9.325 1.00 0.00 H new ATOM 656 N LYS A 40 80.780 2.166 -7.557 1.00 0.00 N ATOM 657 CA LYS A 40 81.075 0.710 -7.516 1.00 0.00 C ATOM 658 C LYS A 40 79.952 -0.019 -6.808 1.00 0.00 C ATOM 659 O LYS A 40 79.989 -0.181 -5.611 1.00 0.00 O ATOM 660 CB LYS A 40 82.369 0.599 -6.716 1.00 0.00 C ATOM 661 CG LYS A 40 83.318 -0.389 -7.397 1.00 0.00 C ATOM 662 CD LYS A 40 84.185 -1.069 -6.337 1.00 0.00 C ATOM 663 CE LYS A 40 85.647 -1.067 -6.790 1.00 0.00 C ATOM 664 NZ LYS A 40 85.754 -2.204 -7.748 1.00 0.00 N ATOM 0 H LYS A 40 81.541 2.767 -7.240 1.00 0.00 H new ATOM 0 HA LYS A 40 81.169 0.272 -8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 40 82.843 1.577 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 40 82.152 0.267 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 40 82.748 -1.135 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 40 83.947 0.132 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 40 84.088 -0.548 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 40 83.845 -2.092 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 40 85.912 -0.123 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 40 86.323 -1.198 -5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 86.729 -2.268 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 85.503 -3.090 -7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 85.105 -2.048 -8.545 1.00 0.00 H new ATOM 678 N GLU A 41 78.961 -0.432 -7.551 1.00 0.00 N ATOM 679 CA GLU A 41 77.769 -1.171 -6.993 1.00 0.00 C ATOM 680 C GLU A 41 77.082 -0.450 -5.812 1.00 0.00 C ATOM 681 O GLU A 41 75.897 -0.622 -5.604 1.00 0.00 O ATOM 682 CB GLU A 41 78.289 -2.544 -6.562 1.00 0.00 C ATOM 683 CG GLU A 41 79.084 -2.411 -5.271 1.00 0.00 C ATOM 684 CD GLU A 41 78.989 -3.708 -4.466 1.00 0.00 C ATOM 685 OE1 GLU A 41 77.879 -4.152 -4.223 1.00 0.00 O ATOM 686 OE2 GLU A 41 80.028 -4.238 -4.108 1.00 0.00 O ATOM 0 H GLU A 41 78.919 -0.286 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 41 76.995 -1.238 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 41 77.455 -3.230 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 41 78.918 -2.967 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 41 80.127 -2.188 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 41 78.701 -1.578 -4.682 1.00 0.00 H new ATOM 693 N ALA A 42 77.773 0.356 -5.040 1.00 0.00 N ATOM 694 CA ALA A 42 77.088 1.048 -3.917 1.00 0.00 C ATOM 695 C ALA A 42 75.987 1.926 -4.495 1.00 0.00 C ATOM 696 O ALA A 42 75.109 2.391 -3.798 1.00 0.00 O ATOM 697 CB ALA A 42 78.170 1.897 -3.249 1.00 0.00 C ATOM 0 H ALA A 42 78.768 0.559 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 42 76.631 0.365 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 42 77.739 2.440 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 42 78.971 1.250 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 42 78.572 2.607 -3.971 1.00 0.00 H new ATOM 703 N GLU A 43 76.032 2.142 -5.779 1.00 0.00 N ATOM 704 CA GLU A 43 74.988 2.983 -6.433 1.00 0.00 C ATOM 705 C GLU A 43 73.619 2.364 -6.254 1.00 0.00 C ATOM 706 O GLU A 43 72.651 3.023 -5.932 1.00 0.00 O ATOM 707 CB GLU A 43 75.304 2.953 -7.921 1.00 0.00 C ATOM 708 CG GLU A 43 74.416 3.969 -8.644 1.00 0.00 C ATOM 709 CD GLU A 43 75.290 5.047 -9.289 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.831 4.786 -10.351 1.00 0.00 O ATOM 711 OE2 GLU A 43 75.404 6.115 -8.710 1.00 0.00 O ATOM 0 H GLU A 43 76.747 1.773 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 43 74.985 3.986 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 43 76.355 3.188 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 43 75.134 1.953 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.818 3.468 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.719 4.424 -7.940 1.00 0.00 H new ATOM 718 N ALA A 44 73.528 1.101 -6.526 1.00 0.00 N ATOM 719 CA ALA A 44 72.223 0.424 -6.446 1.00 0.00 C ATOM 720 C ALA A 44 71.615 0.539 -5.053 1.00 0.00 C ATOM 721 O ALA A 44 70.501 0.990 -4.905 1.00 0.00 O ATOM 722 CB ALA A 44 72.501 -1.036 -6.806 1.00 0.00 C ATOM 0 H ALA A 44 74.310 0.507 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 44 71.498 0.878 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.571 -1.604 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.917 -1.090 -7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.213 -1.457 -6.096 1.00 0.00 H new ATOM 728 N LYS A 45 72.316 0.134 -4.032 1.00 0.00 N ATOM 729 CA LYS A 45 71.722 0.235 -2.670 1.00 0.00 C ATOM 730 C LYS A 45 71.047 1.594 -2.499 1.00 0.00 C ATOM 731 O LYS A 45 70.133 1.747 -1.716 1.00 0.00 O ATOM 732 CB LYS A 45 72.877 0.100 -1.685 1.00 0.00 C ATOM 733 CG LYS A 45 72.337 0.364 -0.279 1.00 0.00 C ATOM 734 CD LYS A 45 73.288 -0.238 0.757 1.00 0.00 C ATOM 735 CE LYS A 45 73.439 0.721 1.939 1.00 0.00 C ATOM 736 NZ LYS A 45 73.253 -0.130 3.148 1.00 0.00 N ATOM 0 H LYS A 45 73.257 -0.256 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 45 70.970 -0.537 -2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 45 73.313 -0.897 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.669 0.809 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 45 72.234 1.436 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.344 -0.072 -0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 45 72.904 -1.198 1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 45 74.261 -0.428 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 45 74.419 1.198 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 45 72.697 1.518 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 73.342 0.456 4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 72.309 -0.566 3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 73.978 -0.876 3.163 1.00 0.00 H new ATOM 750 N PHE A 46 71.490 2.582 -3.227 1.00 0.00 N ATOM 751 CA PHE A 46 70.869 3.929 -3.103 1.00 0.00 C ATOM 752 C PHE A 46 69.478 3.927 -3.736 1.00 0.00 C ATOM 753 O PHE A 46 68.512 4.330 -3.120 1.00 0.00 O ATOM 754 CB PHE A 46 71.807 4.876 -3.852 1.00 0.00 C ATOM 755 CG PHE A 46 73.215 4.716 -3.324 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.431 4.226 -2.028 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.305 5.055 -4.131 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.736 4.077 -1.544 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.610 4.905 -3.647 1.00 0.00 C ATOM 760 CZ PHE A 46 75.825 4.416 -2.354 1.00 0.00 C ATOM 0 H PHE A 46 72.253 2.514 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 46 70.742 4.231 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.781 4.660 -4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.476 5.907 -3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.590 3.963 -1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.140 5.433 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.902 3.700 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.451 5.167 -4.272 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.832 4.300 -1.981 1.00 0.00 H new ATOM 770 N LYS A 47 69.353 3.459 -4.949 1.00 0.00 N ATOM 771 CA LYS A 47 67.998 3.427 -5.570 1.00 0.00 C ATOM 772 C LYS A 47 67.325 2.117 -5.170 1.00 0.00 C ATOM 773 O LYS A 47 66.117 2.006 -5.121 1.00 0.00 O ATOM 774 CB LYS A 47 68.228 3.548 -7.089 1.00 0.00 C ATOM 775 CG LYS A 47 68.092 2.188 -7.780 1.00 0.00 C ATOM 776 CD LYS A 47 69.288 1.313 -7.414 1.00 0.00 C ATOM 777 CE LYS A 47 69.848 0.668 -8.688 1.00 0.00 C ATOM 778 NZ LYS A 47 70.807 1.665 -9.244 1.00 0.00 N ATOM 0 H LYS A 47 70.115 3.104 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 47 67.342 4.234 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.509 4.248 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.221 3.957 -7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.165 1.703 -7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.041 2.320 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 47 70.057 1.912 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.987 0.543 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.346 -0.275 -8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 47 69.053 0.448 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 70.614 1.805 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 70.697 2.569 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 71.779 1.317 -9.121 1.00 0.00 H new ATOM 792 N GLU A 48 68.119 1.142 -4.831 1.00 0.00 N ATOM 793 CA GLU A 48 67.562 -0.152 -4.371 1.00 0.00 C ATOM 794 C GLU A 48 66.554 0.175 -3.294 1.00 0.00 C ATOM 795 O GLU A 48 65.513 -0.438 -3.155 1.00 0.00 O ATOM 796 CB GLU A 48 68.751 -0.881 -3.754 1.00 0.00 C ATOM 797 CG GLU A 48 69.613 -1.505 -4.850 1.00 0.00 C ATOM 798 CD GLU A 48 69.009 -2.843 -5.277 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.799 -2.903 -5.425 1.00 0.00 O ATOM 800 OE2 GLU A 48 69.764 -3.785 -5.449 1.00 0.00 O ATOM 0 H GLU A 48 69.138 1.190 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 48 67.088 -0.745 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.347 -0.185 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 48 68.399 -1.656 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.674 -0.833 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.630 -1.653 -4.487 1.00 0.00 H new ATOM 807 N ILE A 49 66.883 1.178 -2.542 1.00 0.00 N ATOM 808 CA ILE A 49 65.988 1.640 -1.454 1.00 0.00 C ATOM 809 C ILE A 49 64.769 2.303 -2.072 1.00 0.00 C ATOM 810 O ILE A 49 63.639 2.024 -1.726 1.00 0.00 O ATOM 811 CB ILE A 49 66.806 2.673 -0.697 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.995 1.986 -0.031 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.933 3.346 0.357 1.00 0.00 C ATOM 814 CD1 ILE A 49 69.100 3.010 0.238 1.00 0.00 C ATOM 0 H ILE A 49 67.750 1.708 -2.636 1.00 0.00 H new ATOM 0 HA ILE A 49 65.647 0.831 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 49 67.171 3.431 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.682 1.521 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 49 68.373 1.189 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.522 4.086 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 49 65.090 3.838 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 49 65.562 2.596 1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.947 2.515 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 49 69.422 3.454 -0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.720 3.791 0.896 1.00 0.00 H new ATOM 826 N LYS A 50 65.008 3.183 -3.000 1.00 0.00 N ATOM 827 CA LYS A 50 63.880 3.881 -3.675 1.00 0.00 C ATOM 828 C LYS A 50 62.977 2.845 -4.343 1.00 0.00 C ATOM 829 O LYS A 50 61.790 3.046 -4.508 1.00 0.00 O ATOM 830 CB LYS A 50 64.542 4.780 -4.721 1.00 0.00 C ATOM 831 CG LYS A 50 63.463 5.525 -5.512 1.00 0.00 C ATOM 832 CD LYS A 50 64.079 6.750 -6.191 1.00 0.00 C ATOM 833 CE LYS A 50 64.562 6.368 -7.591 1.00 0.00 C ATOM 834 NZ LYS A 50 63.325 6.283 -8.415 1.00 0.00 N ATOM 0 H LYS A 50 65.938 3.451 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 50 63.262 4.458 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.208 5.492 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.154 4.181 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.024 4.864 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 50 62.657 5.833 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.344 7.552 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.912 7.128 -5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 50 65.250 7.114 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 50 65.095 5.417 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 63.230 5.322 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.498 6.502 -7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 63.381 6.966 -9.197 1.00 0.00 H new ATOM 848 N GLU A 51 63.540 1.729 -4.716 1.00 0.00 N ATOM 849 CA GLU A 51 62.735 0.657 -5.364 1.00 0.00 C ATOM 850 C GLU A 51 61.789 0.033 -4.337 1.00 0.00 C ATOM 851 O GLU A 51 60.749 -0.498 -4.672 1.00 0.00 O ATOM 852 CB GLU A 51 63.767 -0.362 -5.835 1.00 0.00 C ATOM 853 CG GLU A 51 63.063 -1.509 -6.561 1.00 0.00 C ATOM 854 CD GLU A 51 63.077 -1.245 -8.067 1.00 0.00 C ATOM 855 OE1 GLU A 51 62.262 -0.457 -8.518 1.00 0.00 O ATOM 856 OE2 GLU A 51 63.904 -1.834 -8.744 1.00 0.00 O ATOM 0 H GLU A 51 64.530 1.513 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 51 62.119 1.024 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.487 0.115 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.327 -0.747 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 51 63.562 -2.453 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 51 62.036 -1.602 -6.207 1.00 0.00 H new ATOM 863 N ALA A 52 62.143 0.109 -3.083 1.00 0.00 N ATOM 864 CA ALA A 52 61.269 -0.459 -2.018 1.00 0.00 C ATOM 865 C ALA A 52 59.876 0.152 -2.115 1.00 0.00 C ATOM 866 O ALA A 52 58.921 -0.363 -1.568 1.00 0.00 O ATOM 867 CB ALA A 52 61.953 -0.066 -0.708 1.00 0.00 C ATOM 0 H ALA A 52 63.004 0.542 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 52 61.144 -1.539 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 52 61.373 -0.446 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.956 -0.492 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 52 62.018 1.020 -0.643 1.00 0.00 H new ATOM 873 N TYR A 53 59.746 1.237 -2.820 1.00 0.00 N ATOM 874 CA TYR A 53 58.410 1.860 -2.958 1.00 0.00 C ATOM 875 C TYR A 53 57.520 0.968 -3.814 1.00 0.00 C ATOM 876 O TYR A 53 56.358 0.772 -3.524 1.00 0.00 O ATOM 877 CB TYR A 53 58.661 3.204 -3.635 1.00 0.00 C ATOM 878 CG TYR A 53 59.547 4.051 -2.752 1.00 0.00 C ATOM 879 CD1 TYR A 53 59.612 3.802 -1.374 1.00 0.00 C ATOM 880 CD2 TYR A 53 60.306 5.083 -3.311 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.433 4.583 -0.559 1.00 0.00 C ATOM 882 CE2 TYR A 53 61.128 5.865 -2.495 1.00 0.00 C ATOM 883 CZ TYR A 53 61.193 5.616 -1.118 1.00 0.00 C ATOM 884 OH TYR A 53 62.008 6.387 -0.314 1.00 0.00 O ATOM 0 H TYR A 53 60.505 1.716 -3.304 1.00 0.00 H new ATOM 0 HA TYR A 53 57.904 1.991 -2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 53 59.134 3.053 -4.605 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.715 3.714 -3.817 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.026 3.004 -0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 53 60.257 5.276 -4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 53 60.482 4.390 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.714 6.663 -2.927 1.00 0.00 H new ATOM 0 HH TYR A 53 62.125 5.945 0.553 1.00 0.00 H new ATOM 894 N GLU A 54 58.064 0.388 -4.844 1.00 0.00 N ATOM 895 CA GLU A 54 57.235 -0.519 -5.685 1.00 0.00 C ATOM 896 C GLU A 54 56.597 -1.541 -4.768 1.00 0.00 C ATOM 897 O GLU A 54 55.583 -2.136 -5.077 1.00 0.00 O ATOM 898 CB GLU A 54 58.195 -1.214 -6.655 1.00 0.00 C ATOM 899 CG GLU A 54 59.227 -0.217 -7.168 1.00 0.00 C ATOM 900 CD GLU A 54 59.312 -0.298 -8.693 1.00 0.00 C ATOM 901 OE1 GLU A 54 58.955 -1.332 -9.233 1.00 0.00 O ATOM 902 OE2 GLU A 54 59.732 0.677 -9.295 1.00 0.00 O ATOM 0 H GLU A 54 59.034 0.499 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 54 56.457 0.012 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.695 -2.043 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.638 -1.637 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.953 0.793 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 54 60.202 -0.430 -6.728 1.00 0.00 H new ATOM 909 N VAL A 55 57.199 -1.750 -3.632 1.00 0.00 N ATOM 910 CA VAL A 55 56.652 -2.733 -2.681 1.00 0.00 C ATOM 911 C VAL A 55 55.788 -2.036 -1.619 1.00 0.00 C ATOM 912 O VAL A 55 54.705 -2.466 -1.301 1.00 0.00 O ATOM 913 CB VAL A 55 57.885 -3.397 -2.049 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.934 -3.133 -0.542 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.812 -4.899 -2.271 1.00 0.00 C ATOM 0 H VAL A 55 58.049 -1.276 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 55 56.004 -3.463 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 55 58.777 -2.979 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.816 -3.613 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.983 -2.059 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 55 57.038 -3.539 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.685 -5.376 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.907 -5.292 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.792 -5.108 -3.341 1.00 0.00 H new ATOM 925 N LEU A 56 56.284 -0.998 -1.016 1.00 0.00 N ATOM 926 CA LEU A 56 55.474 -0.351 0.054 1.00 0.00 C ATOM 927 C LEU A 56 54.537 0.745 -0.518 1.00 0.00 C ATOM 928 O LEU A 56 53.525 1.056 0.079 1.00 0.00 O ATOM 929 CB LEU A 56 56.515 0.165 1.075 1.00 0.00 C ATOM 930 CG LEU A 56 56.396 1.666 1.328 1.00 0.00 C ATOM 931 CD1 LEU A 56 56.614 2.417 0.028 1.00 0.00 C ATOM 932 CD2 LEU A 56 55.013 1.981 1.900 1.00 0.00 C ATOM 0 H LEU A 56 57.192 -0.575 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 56 54.779 -1.038 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.390 -0.369 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 56 57.518 -0.060 0.711 1.00 0.00 H new ATOM 0 HG LEU A 56 57.153 1.979 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 56 56.529 3.489 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.607 2.192 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 56 55.862 2.111 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 56 54.929 3.053 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 54.246 1.671 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 56 54.876 1.444 2.838 1.00 0.00 H new ATOM 944 N THR A 57 54.836 1.334 -1.659 1.00 0.00 N ATOM 945 CA THR A 57 53.909 2.395 -2.191 1.00 0.00 C ATOM 946 C THR A 57 52.803 1.753 -3.029 1.00 0.00 C ATOM 947 O THR A 57 52.390 2.285 -4.040 1.00 0.00 O ATOM 948 CB THR A 57 54.737 3.339 -3.087 1.00 0.00 C ATOM 949 OG1 THR A 57 55.246 2.619 -4.199 1.00 0.00 O ATOM 950 CG2 THR A 57 55.895 3.967 -2.305 1.00 0.00 C ATOM 0 H THR A 57 55.657 1.134 -2.231 1.00 0.00 H new ATOM 0 HA THR A 57 53.452 2.941 -1.365 1.00 0.00 H new ATOM 0 HB THR A 57 54.085 4.140 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.329 1.671 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.461 4.628 -2.961 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.499 4.541 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.549 3.180 -1.930 1.00 0.00 H new ATOM 958 N ASP A 58 52.313 0.618 -2.615 1.00 0.00 N ATOM 959 CA ASP A 58 51.226 -0.049 -3.387 1.00 0.00 C ATOM 960 C ASP A 58 50.351 -0.856 -2.456 1.00 0.00 C ATOM 961 O ASP A 58 50.790 -1.784 -1.810 1.00 0.00 O ATOM 962 CB ASP A 58 51.934 -0.953 -4.392 1.00 0.00 C ATOM 963 CG ASP A 58 51.574 -0.520 -5.815 1.00 0.00 C ATOM 964 OD1 ASP A 58 50.403 -0.586 -6.155 1.00 0.00 O ATOM 965 OD2 ASP A 58 52.473 -0.129 -6.539 1.00 0.00 O ATOM 0 H ASP A 58 52.617 0.123 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 58 50.577 0.668 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.013 -0.900 -4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.642 -1.991 -4.232 1.00 0.00 H new ATOM 970 N SER A 59 49.112 -0.484 -2.377 1.00 0.00 N ATOM 971 CA SER A 59 48.184 -1.190 -1.476 1.00 0.00 C ATOM 972 C SER A 59 48.405 -2.704 -1.534 1.00 0.00 C ATOM 973 O SER A 59 48.463 -3.369 -0.520 1.00 0.00 O ATOM 974 CB SER A 59 46.785 -0.823 -1.968 1.00 0.00 C ATOM 975 OG SER A 59 46.494 0.519 -1.599 1.00 0.00 O ATOM 0 H SER A 59 48.702 0.287 -2.904 1.00 0.00 H new ATOM 0 HA SER A 59 48.336 -0.901 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.727 -0.935 -3.051 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.046 -1.499 -1.537 1.00 0.00 H new ATOM 0 HG SER A 59 45.598 0.758 -1.915 1.00 0.00 H new ATOM 981 N GLN A 60 48.525 -3.257 -2.709 1.00 0.00 N ATOM 982 CA GLN A 60 48.736 -4.731 -2.817 1.00 0.00 C ATOM 983 C GLN A 60 50.140 -5.110 -2.330 1.00 0.00 C ATOM 984 O GLN A 60 50.338 -6.133 -1.707 1.00 0.00 O ATOM 985 CB GLN A 60 48.583 -5.041 -4.306 1.00 0.00 C ATOM 986 CG GLN A 60 48.830 -6.533 -4.544 1.00 0.00 C ATOM 987 CD GLN A 60 49.924 -6.707 -5.599 1.00 0.00 C ATOM 988 OE1 GLN A 60 49.934 -6.020 -6.600 1.00 0.00 O ATOM 989 NE2 GLN A 60 50.854 -7.605 -5.417 1.00 0.00 N ATOM 0 H GLN A 60 48.487 -2.756 -3.597 1.00 0.00 H new ATOM 0 HA GLN A 60 48.030 -5.293 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 60 47.583 -4.768 -4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 60 49.289 -4.447 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 60 49.127 -7.016 -3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 60 47.911 -7.016 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 60 50.847 -8.183 -4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 60 51.587 -7.728 -6.115 1.00 0.00 H new ATOM 998 N LYS A 61 51.111 -4.289 -2.614 1.00 0.00 N ATOM 999 CA LYS A 61 52.509 -4.585 -2.179 1.00 0.00 C ATOM 1000 C LYS A 61 52.691 -4.319 -0.694 1.00 0.00 C ATOM 1001 O LYS A 61 53.185 -5.154 0.036 1.00 0.00 O ATOM 1002 CB LYS A 61 53.374 -3.641 -3.002 1.00 0.00 C ATOM 1003 CG LYS A 61 53.061 -3.795 -4.487 1.00 0.00 C ATOM 1004 CD LYS A 61 53.548 -5.161 -4.977 1.00 0.00 C ATOM 1005 CE LYS A 61 54.619 -4.971 -6.054 1.00 0.00 C ATOM 1006 NZ LYS A 61 53.873 -4.535 -7.269 1.00 0.00 N ATOM 0 H LYS A 61 50.998 -3.418 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 61 52.770 -5.632 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 61 53.198 -2.611 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.428 -3.852 -2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 61 51.988 -3.699 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 61 53.545 -3.000 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 61 53.955 -5.733 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 61 52.712 -5.733 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 61 55.353 -4.224 -5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 61 55.163 -5.897 -6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 54.121 -5.152 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 52.851 -4.596 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 54.126 -3.553 -7.498 1.00 0.00 H new ATOM 1020 N ARG A 62 52.315 -3.171 -0.235 1.00 0.00 N ATOM 1021 CA ARG A 62 52.495 -2.883 1.206 1.00 0.00 C ATOM 1022 C ARG A 62 51.556 -3.753 2.040 1.00 0.00 C ATOM 1023 O ARG A 62 51.793 -4.002 3.204 1.00 0.00 O ATOM 1024 CB ARG A 62 52.133 -1.408 1.357 1.00 0.00 C ATOM 1025 CG ARG A 62 50.631 -1.247 1.126 1.00 0.00 C ATOM 1026 CD ARG A 62 50.272 0.240 1.098 1.00 0.00 C ATOM 1027 NE ARG A 62 49.781 0.543 2.471 1.00 0.00 N ATOM 1028 CZ ARG A 62 49.068 1.615 2.686 1.00 0.00 C ATOM 1029 NH1 ARG A 62 47.806 1.636 2.353 1.00 0.00 N ATOM 1030 NH2 ARG A 62 49.615 2.664 3.237 1.00 0.00 N ATOM 0 H ARG A 62 51.894 -2.423 -0.787 1.00 0.00 H new ATOM 0 HA ARG A 62 53.508 -3.094 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 62 52.403 -1.052 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.692 -0.806 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.345 -1.718 0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 62 50.075 -1.751 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 62 51.139 0.851 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.507 0.447 0.350 1.00 0.00 H new ATOM 0 HE ARG A 62 50.002 -0.087 3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 62 47.378 0.815 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 62 47.248 2.473 2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 62 50.600 2.647 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 62 49.057 3.501 3.405 1.00 0.00 H new ATOM 1044 N ALA A 63 50.497 -4.225 1.447 1.00 0.00 N ATOM 1045 CA ALA A 63 49.543 -5.088 2.203 1.00 0.00 C ATOM 1046 C ALA A 63 49.990 -6.541 2.103 1.00 0.00 C ATOM 1047 O ALA A 63 49.621 -7.381 2.899 1.00 0.00 O ATOM 1048 CB ALA A 63 48.189 -4.893 1.517 1.00 0.00 C ATOM 0 H ALA A 63 50.249 -4.052 0.473 1.00 0.00 H new ATOM 0 HA ALA A 63 49.493 -4.831 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.436 -5.499 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.903 -3.842 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.263 -5.199 0.473 1.00 0.00 H new ATOM 1054 N ALA A 64 50.787 -6.838 1.117 1.00 0.00 N ATOM 1055 CA ALA A 64 51.276 -8.230 0.941 1.00 0.00 C ATOM 1056 C ALA A 64 52.576 -8.435 1.720 1.00 0.00 C ATOM 1057 O ALA A 64 52.815 -9.482 2.289 1.00 0.00 O ATOM 1058 CB ALA A 64 51.516 -8.365 -0.561 1.00 0.00 C ATOM 0 H ALA A 64 51.122 -6.171 0.422 1.00 0.00 H new ATOM 0 HA ALA A 64 50.570 -8.974 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 64 51.881 -9.368 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.582 -8.192 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.257 -7.631 -0.878 1.00 0.00 H new ATOM 1064 N TYR A 65 53.427 -7.447 1.732 1.00 0.00 N ATOM 1065 CA TYR A 65 54.722 -7.585 2.450 1.00 0.00 C ATOM 1066 C TYR A 65 54.550 -7.361 3.956 1.00 0.00 C ATOM 1067 O TYR A 65 55.356 -7.808 4.748 1.00 0.00 O ATOM 1068 CB TYR A 65 55.612 -6.511 1.828 1.00 0.00 C ATOM 1069 CG TYR A 65 56.236 -7.075 0.577 1.00 0.00 C ATOM 1070 CD1 TYR A 65 57.276 -8.004 0.679 1.00 0.00 C ATOM 1071 CD2 TYR A 65 55.765 -6.684 -0.682 1.00 0.00 C ATOM 1072 CE1 TYR A 65 57.849 -8.544 -0.478 1.00 0.00 C ATOM 1073 CE2 TYR A 65 56.334 -7.228 -1.840 1.00 0.00 C ATOM 1074 CZ TYR A 65 57.377 -8.157 -1.738 1.00 0.00 C ATOM 1075 OH TYR A 65 57.939 -8.695 -2.878 1.00 0.00 O ATOM 0 H TYR A 65 53.280 -6.548 1.274 1.00 0.00 H new ATOM 0 HA TYR A 65 55.146 -8.584 2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 65 55.026 -5.623 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 65 56.385 -6.205 2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 65 57.637 -8.305 1.651 1.00 0.00 H new ATOM 0 HD2 TYR A 65 54.964 -5.964 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 65 58.655 -9.259 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 65 55.968 -6.931 -2.812 1.00 0.00 H new ATOM 0 HH TYR A 65 57.496 -8.322 -3.669 1.00 0.00 H new