USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 76 MET CE :methyl 170:sc= -0.0153 (180deg=-0.167) USER MOD Set 1.2: A 77 THR OG1 : rot 90:sc= 1.13 USER MOD Set 2.1: A 16 CYS SG : rot 176:sc= -0.57 USER MOD Set 2.2: A 47 THR OG1 : rot 97:sc= 0.192 USER MOD Single : A 5 THR OG1 : rot -69:sc= 0.717 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 91:sc= 1.17 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 41:sc= 1.22 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.588 F(o=-1.3,f=-0.59) USER MOD Single : A 55 TYR OH : rot -138:sc= 0.388 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0937 USER MOD Single : A 78 ASN : amide:sc= -4.09! C(o=-4.1!,f=-6.3!) USER MOD Single : A 80 SER OG : rot -81:sc= -1.4 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.813 10.808 1.646 1.00 0.00 N ATOM 35 CA LEU A 3 65.692 9.692 0.717 1.00 0.00 C ATOM 36 C LEU A 3 67.022 8.953 0.626 1.00 0.00 C ATOM 37 O LEU A 3 67.923 9.184 1.431 1.00 0.00 O ATOM 38 CB LEU A 3 65.260 10.176 -0.667 1.00 0.00 C ATOM 39 CG LEU A 3 66.285 11.021 -1.420 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.811 11.221 -2.862 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.418 12.380 -0.734 1.00 0.00 C ATOM 0 HA LEU A 3 64.926 9.012 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 3 65.015 9.306 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.345 10.758 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 3 67.251 10.517 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.539 11.824 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.708 10.251 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.847 11.730 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 3 67.149 12.987 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.453 12.886 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.747 12.237 0.295 1.00 0.00 H new ATOM 53 N LEU A 4 67.137 8.046 -0.341 1.00 0.00 N ATOM 54 CA LEU A 4 68.368 7.268 -0.482 1.00 0.00 C ATOM 55 C LEU A 4 68.943 7.385 -1.890 1.00 0.00 C ATOM 56 O LEU A 4 68.324 7.960 -2.786 1.00 0.00 O ATOM 57 CB LEU A 4 68.081 5.795 -0.179 1.00 0.00 C ATOM 58 CG LEU A 4 69.218 5.036 0.522 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.657 4.221 1.691 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.893 4.086 -0.470 1.00 0.00 C ATOM 0 H LEU A 4 66.411 7.833 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 4 69.099 7.664 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.189 5.736 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.850 5.287 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 4 69.946 5.757 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.468 3.685 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.178 4.891 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.924 3.506 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.699 3.549 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 4 69.160 3.372 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.301 4.659 -1.302 1.00 0.00 H new ATOM 72 N THR A 5 70.132 6.820 -2.074 1.00 0.00 N ATOM 73 CA THR A 5 70.785 6.852 -3.378 1.00 0.00 C ATOM 74 C THR A 5 71.670 5.627 -3.574 1.00 0.00 C ATOM 75 O THR A 5 71.830 4.800 -2.676 1.00 0.00 O ATOM 76 CB THR A 5 71.642 8.109 -3.516 1.00 0.00 C ATOM 77 OG1 THR A 5 72.402 8.295 -2.331 1.00 0.00 O ATOM 78 CG2 THR A 5 70.732 9.313 -3.735 1.00 0.00 C ATOM 0 H THR A 5 70.659 6.339 -1.345 1.00 0.00 H new ATOM 0 HA THR A 5 70.004 6.855 -4.138 1.00 0.00 H new ATOM 0 HB THR A 5 72.318 8.003 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.804 8.541 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.338 10.214 -3.834 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.148 9.167 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.059 9.420 -2.884 1.00 0.00 H new ATOM 86 N LEU A 6 72.245 5.526 -4.768 1.00 0.00 N ATOM 87 CA LEU A 6 73.123 4.404 -5.094 1.00 0.00 C ATOM 88 C LEU A 6 74.317 4.368 -4.149 1.00 0.00 C ATOM 89 O LEU A 6 74.587 3.355 -3.502 1.00 0.00 O ATOM 90 CB LEU A 6 73.632 4.526 -6.532 1.00 0.00 C ATOM 91 CG LEU A 6 74.358 3.290 -7.070 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.381 2.116 -7.146 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.904 3.589 -8.468 1.00 0.00 C ATOM 0 H LEU A 6 72.121 6.201 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 6 72.547 3.485 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.786 4.744 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 6 74.307 5.380 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 6 75.182 3.034 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 6 73.898 1.236 -7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 6 72.990 1.903 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 6 72.557 2.371 -7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 6 75.421 2.710 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 6 74.080 3.845 -9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 6 75.601 4.426 -8.415 1.00 0.00 H new ATOM 105 N SER A 7 75.027 5.491 -4.079 1.00 0.00 N ATOM 106 CA SER A 7 76.204 5.603 -3.215 1.00 0.00 C ATOM 107 C SER A 7 75.872 5.224 -1.774 1.00 0.00 C ATOM 108 O SER A 7 76.703 4.663 -1.059 1.00 0.00 O ATOM 109 CB SER A 7 76.746 7.033 -3.237 1.00 0.00 C ATOM 110 OG SER A 7 77.634 7.182 -4.338 1.00 0.00 O ATOM 0 H SER A 7 74.810 6.336 -4.608 1.00 0.00 H new ATOM 0 HA SER A 7 76.957 4.914 -3.598 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.924 7.744 -3.319 1.00 0.00 H new ATOM 0 HB3 SER A 7 77.265 7.252 -2.304 1.00 0.00 H new ATOM 0 HG SER A 7 77.982 8.098 -4.356 1.00 0.00 H new ATOM 116 N ASP A 8 74.649 5.534 -1.354 1.00 0.00 N ATOM 117 CA ASP A 8 74.221 5.218 0.001 1.00 0.00 C ATOM 118 C ASP A 8 74.236 3.711 0.225 1.00 0.00 C ATOM 119 O ASP A 8 74.773 3.221 1.215 1.00 0.00 O ATOM 120 CB ASP A 8 72.802 5.733 0.250 1.00 0.00 C ATOM 121 CG ASP A 8 72.806 7.254 0.359 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.816 7.802 0.775 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.793 7.849 0.030 1.00 0.00 O ATOM 0 H ASP A 8 73.945 5.999 -1.927 1.00 0.00 H new ATOM 0 HA ASP A 8 74.913 5.701 0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 8 72.146 5.421 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.404 5.296 1.166 1.00 0.00 H new ATOM 128 N LEU A 9 73.643 2.979 -0.716 1.00 0.00 N ATOM 129 CA LEU A 9 73.581 1.520 -0.629 1.00 0.00 C ATOM 130 C LEU A 9 74.977 0.931 -0.451 1.00 0.00 C ATOM 131 O LEU A 9 75.269 0.253 0.533 1.00 0.00 O ATOM 132 CB LEU A 9 72.974 0.954 -1.918 1.00 0.00 C ATOM 133 CG LEU A 9 72.373 -0.462 -1.847 1.00 0.00 C ATOM 134 CD1 LEU A 9 73.171 -1.368 -0.899 1.00 0.00 C ATOM 135 CD2 LEU A 9 70.925 -0.374 -1.364 1.00 0.00 C ATOM 0 H LEU A 9 73.199 3.371 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 9 72.965 1.255 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 9 72.193 1.637 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 9 73.748 0.955 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 9 72.415 -0.897 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 9 72.717 -2.359 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 9 74.199 -1.448 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 9 73.164 -0.941 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 9 70.497 -1.375 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.899 0.083 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 9 70.346 0.233 -2.060 1.00 0.00 H new ATOM 147 N LEU A 10 75.826 1.197 -1.436 1.00 0.00 N ATOM 148 CA LEU A 10 77.213 0.691 -1.429 1.00 0.00 C ATOM 149 C LEU A 10 77.882 0.872 -0.060 1.00 0.00 C ATOM 150 O LEU A 10 78.351 -0.087 0.550 1.00 0.00 O ATOM 151 CB LEU A 10 78.065 1.411 -2.486 1.00 0.00 C ATOM 152 CG LEU A 10 77.343 1.794 -3.788 1.00 0.00 C ATOM 153 CD1 LEU A 10 78.363 2.268 -4.835 1.00 0.00 C ATOM 154 CD2 LEU A 10 76.561 0.585 -4.329 1.00 0.00 C ATOM 0 H LEU A 10 75.589 1.759 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 10 77.155 -0.373 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 10 78.472 2.318 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.912 0.772 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 10 76.645 2.605 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 10 77.843 2.537 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 10 78.899 3.137 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 10 79.072 1.466 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.052 0.864 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.251 -0.235 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.825 0.268 -3.590 1.00 0.00 H new ATOM 166 N THR A 11 77.924 2.116 0.400 1.00 0.00 N ATOM 167 CA THR A 11 78.533 2.456 1.676 1.00 0.00 C ATOM 168 C THR A 11 77.930 1.654 2.829 1.00 0.00 C ATOM 169 O THR A 11 78.647 1.031 3.610 1.00 0.00 O ATOM 170 CB THR A 11 78.316 3.943 1.937 1.00 0.00 C ATOM 171 OG1 THR A 11 78.741 4.689 0.806 1.00 0.00 O ATOM 172 CG2 THR A 11 79.117 4.361 3.151 1.00 0.00 C ATOM 0 H THR A 11 77.537 2.915 -0.101 1.00 0.00 H new ATOM 0 HA THR A 11 79.595 2.216 1.623 1.00 0.00 H new ATOM 0 HB THR A 11 77.258 4.132 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 11 77.986 4.813 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 11 78.964 5.424 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 11 78.790 3.787 4.018 1.00 0.00 H new ATOM 0 HG23 THR A 11 80.176 4.174 2.971 1.00 0.00 H new ATOM 180 N LEU A 12 76.607 1.682 2.941 1.00 0.00 N ATOM 181 CA LEU A 12 75.928 0.952 4.022 1.00 0.00 C ATOM 182 C LEU A 12 76.283 -0.522 3.964 1.00 0.00 C ATOM 183 O LEU A 12 76.796 -1.095 4.924 1.00 0.00 O ATOM 184 CB LEU A 12 74.412 1.097 3.915 1.00 0.00 C ATOM 185 CG LEU A 12 73.910 2.535 3.815 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.672 2.587 2.914 1.00 0.00 C ATOM 187 CD2 LEU A 12 73.546 3.044 5.210 1.00 0.00 C ATOM 0 H LEU A 12 75.986 2.191 2.312 1.00 0.00 H new ATOM 0 HA LEU A 12 76.261 1.378 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.070 0.546 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 12 73.954 0.627 4.786 1.00 0.00 H new ATOM 0 HG LEU A 12 74.693 3.163 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.316 3.615 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.931 2.224 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 12 71.888 1.959 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.187 4.071 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.764 2.414 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.427 3.010 5.851 1.00 0.00 H new ATOM 199 N LEU A 13 76.027 -1.121 2.809 1.00 0.00 N ATOM 200 CA LEU A 13 76.350 -2.536 2.611 1.00 0.00 C ATOM 201 C LEU A 13 77.848 -2.756 2.847 1.00 0.00 C ATOM 202 O LEU A 13 78.273 -3.803 3.335 1.00 0.00 O ATOM 203 CB LEU A 13 75.975 -2.987 1.191 1.00 0.00 C ATOM 204 CG LEU A 13 74.845 -4.017 1.125 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.444 -4.251 -0.334 1.00 0.00 C ATOM 206 CD2 LEU A 13 75.319 -5.337 1.739 1.00 0.00 C ATOM 0 H LEU A 13 75.603 -0.662 2.003 1.00 0.00 H new ATOM 0 HA LEU A 13 75.775 -3.129 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.684 -2.111 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.860 -3.407 0.712 1.00 0.00 H new ATOM 0 HG LEU A 13 73.985 -3.643 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.639 -4.985 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.104 -3.313 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.303 -4.622 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.514 -6.070 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 13 76.181 -5.708 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.601 -5.174 2.779 1.00 0.00 H new ATOM 218 N ARG A 14 78.629 -1.732 2.509 1.00 0.00 N ATOM 219 CA ARG A 14 80.072 -1.779 2.695 1.00 0.00 C ATOM 220 C ARG A 14 80.397 -1.740 4.187 1.00 0.00 C ATOM 221 O ARG A 14 81.325 -2.393 4.653 1.00 0.00 O ATOM 222 CB ARG A 14 80.731 -0.584 1.983 1.00 0.00 C ATOM 223 CG ARG A 14 82.249 -0.601 2.188 1.00 0.00 C ATOM 224 CD ARG A 14 82.820 0.781 1.862 1.00 0.00 C ATOM 225 NE ARG A 14 84.278 0.719 1.723 1.00 0.00 N ATOM 226 CZ ARG A 14 85.049 1.813 1.805 1.00 0.00 C ATOM 227 NH1 ARG A 14 84.527 3.001 2.004 1.00 0.00 N ATOM 228 NH2 ARG A 14 86.342 1.696 1.681 1.00 0.00 N ATOM 0 H ARG A 14 78.284 -0.861 2.105 1.00 0.00 H new ATOM 0 HA ARG A 14 80.460 -2.703 2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.503 -0.618 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.318 0.348 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.485 -0.871 3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.705 -1.356 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 14 82.377 1.154 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.554 1.485 2.651 1.00 0.00 H new ATOM 0 HE ARG A 14 84.720 -0.185 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 14 83.517 3.105 2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 14 85.132 3.820 2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 14 86.758 0.778 1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 14 86.937 2.522 1.742 1.00 0.00 H new ATOM 242 N GLU A 15 79.615 -0.966 4.928 1.00 0.00 N ATOM 243 CA GLU A 15 79.820 -0.849 6.364 1.00 0.00 C ATOM 244 C GLU A 15 79.443 -2.162 7.047 1.00 0.00 C ATOM 245 O GLU A 15 80.125 -2.631 7.958 1.00 0.00 O ATOM 246 CB GLU A 15 78.957 0.289 6.929 1.00 0.00 C ATOM 247 CG GLU A 15 79.165 0.415 8.448 1.00 0.00 C ATOM 248 CD GLU A 15 79.742 1.788 8.785 1.00 0.00 C ATOM 249 OE1 GLU A 15 78.972 2.732 8.852 1.00 0.00 O ATOM 250 OE2 GLU A 15 80.945 1.873 8.969 1.00 0.00 O ATOM 0 H GLU A 15 78.839 -0.414 4.562 1.00 0.00 H new ATOM 0 HA GLU A 15 80.870 -0.629 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.217 1.228 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 15 77.906 0.098 6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.217 0.273 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 15 79.839 -0.367 8.797 1.00 0.00 H new ATOM 257 N CYS A 16 78.338 -2.734 6.593 1.00 0.00 N ATOM 258 CA CYS A 16 77.843 -3.989 7.157 1.00 0.00 C ATOM 259 C CYS A 16 78.758 -5.160 6.812 1.00 0.00 C ATOM 260 O CYS A 16 79.259 -5.857 7.694 1.00 0.00 O ATOM 261 CB CYS A 16 76.446 -4.295 6.622 1.00 0.00 C ATOM 262 SG CYS A 16 75.712 -5.629 7.597 1.00 0.00 S ATOM 0 H CYS A 16 77.766 -2.354 5.839 1.00 0.00 H new ATOM 0 HA CYS A 16 77.817 -3.866 8.240 1.00 0.00 H new ATOM 0 HB2 CYS A 16 75.821 -3.404 6.675 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.501 -4.584 5.572 1.00 0.00 H new ATOM 0 HG CYS A 16 74.488 -5.829 7.207 1.00 0.00 H new ATOM 268 N ALA A 17 78.947 -5.383 5.518 1.00 0.00 N ATOM 269 CA ALA A 17 79.781 -6.493 5.056 1.00 0.00 C ATOM 270 C ALA A 17 81.262 -6.141 5.111 1.00 0.00 C ATOM 271 O ALA A 17 82.081 -6.919 5.601 1.00 0.00 O ATOM 272 CB ALA A 17 79.422 -6.866 3.618 1.00 0.00 C ATOM 0 H ALA A 17 78.540 -4.818 4.773 1.00 0.00 H new ATOM 0 HA ALA A 17 79.592 -7.335 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 17 80.051 -7.693 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 17 78.375 -7.165 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 17 79.584 -6.006 2.968 1.00 0.00 H new ATOM 417 N VAL A 29 77.378 -3.941 -10.117 1.00 0.00 N ATOM 418 CA VAL A 29 76.571 -4.617 -9.102 1.00 0.00 C ATOM 419 C VAL A 29 75.261 -3.861 -8.822 1.00 0.00 C ATOM 420 O VAL A 29 74.451 -4.301 -8.005 1.00 0.00 O ATOM 421 CB VAL A 29 77.378 -4.756 -7.800 1.00 0.00 C ATOM 422 CG1 VAL A 29 77.734 -3.369 -7.257 1.00 0.00 C ATOM 423 CG2 VAL A 29 76.560 -5.520 -6.752 1.00 0.00 C ATOM 0 HA VAL A 29 76.314 -5.605 -9.485 1.00 0.00 H new ATOM 0 HB VAL A 29 78.294 -5.308 -8.012 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.305 -3.475 -6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 29 78.331 -2.832 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 29 76.819 -2.812 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 29 77.141 -5.613 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 29 75.637 -4.978 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.320 -6.513 -7.131 1.00 0.00 H new ATOM 433 N GLU A 30 75.053 -2.728 -9.495 1.00 0.00 N ATOM 434 CA GLU A 30 73.839 -1.954 -9.284 1.00 0.00 C ATOM 435 C GLU A 30 72.604 -2.737 -9.743 1.00 0.00 C ATOM 436 O GLU A 30 71.496 -2.519 -9.254 1.00 0.00 O ATOM 437 CB GLU A 30 73.925 -0.623 -10.040 1.00 0.00 C ATOM 438 CG GLU A 30 73.921 -0.866 -11.556 1.00 0.00 C ATOM 439 CD GLU A 30 74.931 0.058 -12.230 1.00 0.00 C ATOM 440 OE1 GLU A 30 74.728 1.261 -12.185 1.00 0.00 O ATOM 441 OE2 GLU A 30 75.893 -0.451 -12.783 1.00 0.00 O ATOM 0 H GLU A 30 75.700 -2.335 -10.179 1.00 0.00 H new ATOM 0 HA GLU A 30 73.743 -1.755 -8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 30 73.084 0.013 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.833 -0.093 -9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 30 74.168 -1.906 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.924 -0.687 -11.960 1.00 0.00 H new ATOM 448 N ASP A 31 72.814 -3.646 -10.692 1.00 0.00 N ATOM 449 CA ASP A 31 71.721 -4.453 -11.218 1.00 0.00 C ATOM 450 C ASP A 31 72.039 -5.939 -11.077 1.00 0.00 C ATOM 451 O ASP A 31 71.575 -6.766 -11.861 1.00 0.00 O ATOM 452 CB ASP A 31 71.480 -4.129 -12.693 1.00 0.00 C ATOM 453 CG ASP A 31 70.658 -2.849 -12.805 1.00 0.00 C ATOM 454 OD1 ASP A 31 71.057 -1.859 -12.215 1.00 0.00 O ATOM 455 OD2 ASP A 31 69.643 -2.877 -13.480 1.00 0.00 O ATOM 0 H ASP A 31 73.725 -3.840 -11.109 1.00 0.00 H new ATOM 0 HA ASP A 31 70.823 -4.220 -10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.432 -4.009 -13.210 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.956 -4.954 -13.177 1.00 0.00 H new ATOM 460 N VAL A 32 72.826 -6.268 -10.055 1.00 0.00 N ATOM 461 CA VAL A 32 73.189 -7.657 -9.801 1.00 0.00 C ATOM 462 C VAL A 32 72.556 -8.114 -8.489 1.00 0.00 C ATOM 463 O VAL A 32 72.619 -7.415 -7.478 1.00 0.00 O ATOM 464 CB VAL A 32 74.715 -7.804 -9.722 1.00 0.00 C ATOM 465 CG1 VAL A 32 75.091 -9.270 -9.476 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.335 -7.342 -11.041 1.00 0.00 C ATOM 0 H VAL A 32 73.221 -5.597 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 32 72.822 -8.276 -10.619 1.00 0.00 H new ATOM 0 HB VAL A 32 75.090 -7.195 -8.899 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.176 -9.363 -9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.650 -9.606 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.715 -9.884 -10.294 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.419 -7.445 -10.989 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.951 -7.954 -11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 32 75.078 -6.298 -11.218 1.00 0.00 H new ATOM 476 N ALA A 33 71.934 -9.290 -8.518 1.00 0.00 N ATOM 477 CA ALA A 33 71.279 -9.822 -7.325 1.00 0.00 C ATOM 478 C ALA A 33 72.278 -9.983 -6.182 1.00 0.00 C ATOM 479 O ALA A 33 73.453 -10.279 -6.400 1.00 0.00 O ATOM 480 CB ALA A 33 70.639 -11.179 -7.613 1.00 0.00 C ATOM 0 H ALA A 33 71.869 -9.887 -9.343 1.00 0.00 H new ATOM 0 HA ALA A 33 70.506 -9.110 -7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.158 -11.554 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.895 -11.070 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.407 -11.883 -7.934 1.00 0.00 H new ATOM 486 N PHE A 34 71.789 -9.786 -4.957 1.00 0.00 N ATOM 487 CA PHE A 34 72.637 -9.909 -3.767 1.00 0.00 C ATOM 488 C PHE A 34 73.345 -11.265 -3.738 1.00 0.00 C ATOM 489 O PHE A 34 74.510 -11.365 -3.355 1.00 0.00 O ATOM 490 CB PHE A 34 71.797 -9.768 -2.496 1.00 0.00 C ATOM 491 CG PHE A 34 71.189 -8.389 -2.442 1.00 0.00 C ATOM 492 CD1 PHE A 34 72.015 -7.263 -2.354 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.798 -8.235 -2.477 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.451 -5.984 -2.302 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.235 -6.956 -2.426 1.00 0.00 C ATOM 496 CZ PHE A 34 70.062 -5.830 -2.338 1.00 0.00 C ATOM 0 H PHE A 34 70.818 -9.542 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 34 73.381 -9.114 -3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.012 -10.524 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.418 -9.937 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.088 -7.381 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.160 -9.104 -2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 34 72.089 -5.115 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.162 -6.837 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.627 -4.842 -2.298 1.00 0.00 H new ATOM 506 N ASP A 35 72.622 -12.304 -4.147 1.00 0.00 N ATOM 507 CA ASP A 35 73.180 -13.649 -4.165 1.00 0.00 C ATOM 508 C ASP A 35 74.363 -13.726 -5.126 1.00 0.00 C ATOM 509 O ASP A 35 75.364 -14.388 -4.850 1.00 0.00 O ATOM 510 CB ASP A 35 72.116 -14.655 -4.601 1.00 0.00 C ATOM 511 CG ASP A 35 71.515 -14.220 -5.934 1.00 0.00 C ATOM 512 OD1 ASP A 35 72.092 -14.549 -6.957 1.00 0.00 O ATOM 513 OD2 ASP A 35 70.488 -13.563 -5.912 1.00 0.00 O ATOM 0 H ASP A 35 71.656 -12.240 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 35 73.520 -13.889 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 35 72.557 -15.647 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 35 71.335 -14.724 -3.844 1.00 0.00 H new ATOM 518 N ALA A 36 74.235 -13.040 -6.257 1.00 0.00 N ATOM 519 CA ALA A 36 75.299 -13.034 -7.256 1.00 0.00 C ATOM 520 C ALA A 36 76.555 -12.380 -6.691 1.00 0.00 C ATOM 521 O ALA A 36 77.676 -12.753 -7.036 1.00 0.00 O ATOM 522 CB ALA A 36 74.856 -12.271 -8.506 1.00 0.00 C ATOM 0 H ALA A 36 73.415 -12.486 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 36 75.517 -14.068 -7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 36 75.662 -12.277 -9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 36 73.974 -12.750 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.616 -11.242 -8.238 1.00 0.00 H new ATOM 528 N LEU A 37 76.354 -11.396 -5.819 1.00 0.00 N ATOM 529 CA LEU A 37 77.479 -10.688 -5.209 1.00 0.00 C ATOM 530 C LEU A 37 78.134 -11.560 -4.143 1.00 0.00 C ATOM 531 O LEU A 37 79.355 -11.566 -3.987 1.00 0.00 O ATOM 532 CB LEU A 37 77.022 -9.373 -4.561 1.00 0.00 C ATOM 533 CG LEU A 37 75.797 -8.704 -5.195 1.00 0.00 C ATOM 534 CD1 LEU A 37 75.586 -7.326 -4.567 1.00 0.00 C ATOM 535 CD2 LEU A 37 76.016 -8.546 -6.701 1.00 0.00 C ATOM 0 H LEU A 37 75.434 -11.072 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 37 78.195 -10.464 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.804 -9.565 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.853 -8.668 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 37 74.918 -9.325 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 37 74.715 -6.850 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 37 75.425 -7.436 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 37 76.467 -6.708 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.143 -8.070 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.896 -7.928 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.165 -9.527 -7.152 1.00 0.00 H new ATOM 547 N GLY A 38 77.304 -12.297 -3.413 1.00 0.00 N ATOM 548 CA GLY A 38 77.805 -13.176 -2.361 1.00 0.00 C ATOM 549 C GLY A 38 77.191 -12.844 -0.997 1.00 0.00 C ATOM 550 O GLY A 38 77.598 -13.403 0.022 1.00 0.00 O ATOM 0 H GLY A 38 76.291 -12.304 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 38 77.582 -14.212 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 38 78.890 -13.089 -2.301 1.00 0.00 H new ATOM 554 N TYR A 39 76.210 -11.937 -0.972 1.00 0.00 N ATOM 555 CA TYR A 39 75.570 -11.571 0.287 1.00 0.00 C ATOM 556 C TYR A 39 74.671 -12.705 0.767 1.00 0.00 C ATOM 557 O TYR A 39 74.063 -13.415 -0.034 1.00 0.00 O ATOM 558 CB TYR A 39 74.725 -10.311 0.109 1.00 0.00 C ATOM 559 CG TYR A 39 75.625 -9.109 -0.049 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.469 -8.724 0.998 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.610 -8.375 -1.242 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.300 -7.607 0.853 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.442 -7.258 -1.386 1.00 0.00 C ATOM 564 CZ TYR A 39 77.286 -6.874 -0.339 1.00 0.00 C ATOM 565 OH TYR A 39 78.105 -5.773 -0.482 1.00 0.00 O ATOM 0 H TYR A 39 75.850 -11.453 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 39 76.351 -11.383 1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.083 -10.413 -0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.071 -10.176 0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.479 -9.289 1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.957 -8.670 -2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 39 77.952 -7.311 1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.432 -6.693 -2.306 1.00 0.00 H new ATOM 0 HH TYR A 39 77.972 -5.380 -1.370 1.00 0.00 H new ATOM 575 N ASP A 40 74.586 -12.866 2.084 1.00 0.00 N ATOM 576 CA ASP A 40 73.749 -13.915 2.657 1.00 0.00 C ATOM 577 C ASP A 40 72.337 -13.392 2.881 1.00 0.00 C ATOM 578 O ASP A 40 71.398 -13.763 2.178 1.00 0.00 O ATOM 579 CB ASP A 40 74.329 -14.396 3.991 1.00 0.00 C ATOM 580 CG ASP A 40 75.286 -15.556 3.741 1.00 0.00 C ATOM 581 OD1 ASP A 40 74.871 -16.518 3.118 1.00 0.00 O ATOM 582 OD2 ASP A 40 76.422 -15.463 4.177 1.00 0.00 O ATOM 0 H ASP A 40 75.080 -12.292 2.767 1.00 0.00 H new ATOM 0 HA ASP A 40 73.721 -14.751 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 40 74.853 -13.579 4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.525 -14.711 4.657 1.00 0.00 H new ATOM 587 N SER A 41 72.207 -12.519 3.873 1.00 0.00 N ATOM 588 CA SER A 41 70.917 -11.921 4.213 1.00 0.00 C ATOM 589 C SER A 41 71.061 -11.130 5.502 1.00 0.00 C ATOM 590 O SER A 41 70.580 -10.003 5.622 1.00 0.00 O ATOM 591 CB SER A 41 69.838 -12.993 4.407 1.00 0.00 C ATOM 592 OG SER A 41 69.178 -13.222 3.168 1.00 0.00 O ATOM 0 H SER A 41 72.981 -12.207 4.459 1.00 0.00 H new ATOM 0 HA SER A 41 70.615 -11.271 3.392 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.288 -13.917 4.769 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.120 -12.671 5.161 1.00 0.00 H new ATOM 0 HG SER A 41 69.837 -13.226 2.442 1.00 0.00 H new ATOM 598 N LEU A 42 71.750 -11.740 6.465 1.00 0.00 N ATOM 599 CA LEU A 42 71.979 -11.101 7.761 1.00 0.00 C ATOM 600 C LEU A 42 72.661 -9.749 7.579 1.00 0.00 C ATOM 601 O LEU A 42 72.436 -8.815 8.348 1.00 0.00 O ATOM 602 CB LEU A 42 72.857 -11.986 8.646 1.00 0.00 C ATOM 603 CG LEU A 42 72.116 -13.097 9.392 1.00 0.00 C ATOM 604 CD1 LEU A 42 71.110 -12.477 10.364 1.00 0.00 C ATOM 605 CD2 LEU A 42 71.373 -13.977 8.385 1.00 0.00 C ATOM 0 H LEU A 42 72.158 -12.671 6.374 1.00 0.00 H new ATOM 0 HA LEU A 42 71.010 -10.956 8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.630 -12.439 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.363 -11.354 9.376 1.00 0.00 H new ATOM 0 HG LEU A 42 72.833 -13.702 9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.582 -13.269 10.895 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.637 -11.848 11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 42 70.393 -11.872 9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.844 -14.769 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.657 -13.371 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.088 -14.419 7.691 1.00 0.00 H new ATOM 617 N ALA A 43 73.491 -9.654 6.543 1.00 0.00 N ATOM 618 CA ALA A 43 74.193 -8.407 6.263 1.00 0.00 C ATOM 619 C ALA A 43 73.212 -7.358 5.762 1.00 0.00 C ATOM 620 O ALA A 43 73.193 -6.227 6.241 1.00 0.00 O ATOM 621 CB ALA A 43 75.279 -8.625 5.208 1.00 0.00 C ATOM 0 H ALA A 43 73.691 -10.414 5.893 1.00 0.00 H new ATOM 0 HA ALA A 43 74.658 -8.063 7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.791 -7.683 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 43 75.997 -9.360 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 43 74.824 -8.988 4.287 1.00 0.00 H new ATOM 627 N LEU A 44 72.388 -7.751 4.800 1.00 0.00 N ATOM 628 CA LEU A 44 71.397 -6.835 4.246 1.00 0.00 C ATOM 629 C LEU A 44 70.384 -6.459 5.319 1.00 0.00 C ATOM 630 O LEU A 44 69.880 -5.337 5.357 1.00 0.00 O ATOM 631 CB LEU A 44 70.670 -7.481 3.067 1.00 0.00 C ATOM 632 CG LEU A 44 71.586 -8.038 1.977 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.739 -8.644 0.860 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.443 -6.907 1.410 1.00 0.00 C ATOM 0 H LEU A 44 72.384 -8.685 4.391 1.00 0.00 H new ATOM 0 HA LEU A 44 71.911 -5.939 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.043 -8.289 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 44 70.004 -6.743 2.620 1.00 0.00 H new ATOM 0 HG LEU A 44 72.231 -8.808 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.392 -9.041 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.125 -9.449 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 44 70.094 -7.875 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.097 -7.301 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.797 -6.139 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.047 -6.473 2.207 1.00 0.00 H new ATOM 646 N LEU A 45 70.103 -7.416 6.198 1.00 0.00 N ATOM 647 CA LEU A 45 69.155 -7.193 7.288 1.00 0.00 C ATOM 648 C LEU A 45 69.622 -6.034 8.168 1.00 0.00 C ATOM 649 O LEU A 45 68.869 -5.099 8.441 1.00 0.00 O ATOM 650 CB LEU A 45 69.019 -8.467 8.137 1.00 0.00 C ATOM 651 CG LEU A 45 68.286 -8.311 9.478 1.00 0.00 C ATOM 652 CD1 LEU A 45 66.947 -7.603 9.258 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.036 -9.694 10.083 1.00 0.00 C ATOM 0 H LEU A 45 70.515 -8.349 6.179 1.00 0.00 H new ATOM 0 HA LEU A 45 68.185 -6.943 6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.496 -9.219 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.018 -8.855 8.335 1.00 0.00 H new ATOM 0 HG LEU A 45 68.899 -7.718 10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.431 -7.495 10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.123 -6.617 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.332 -8.192 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.516 -9.586 11.035 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.425 -10.285 9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.989 -10.198 10.245 1.00 0.00 H new ATOM 665 N ASN A 46 70.872 -6.107 8.606 1.00 0.00 N ATOM 666 CA ASN A 46 71.434 -5.057 9.450 1.00 0.00 C ATOM 667 C ASN A 46 71.510 -3.747 8.679 1.00 0.00 C ATOM 668 O ASN A 46 71.073 -2.700 9.157 1.00 0.00 O ATOM 669 CB ASN A 46 72.838 -5.436 9.920 1.00 0.00 C ATOM 670 CG ASN A 46 72.782 -6.749 10.691 1.00 0.00 C ATOM 671 OD1 ASN A 46 73.609 -7.708 10.377 1.00 0.00 O flip ATOM 672 ND2 ASN A 46 71.970 -6.909 11.602 1.00 0.00 N flip ATOM 0 H ASN A 46 71.512 -6.873 8.395 1.00 0.00 H new ATOM 0 HA ASN A 46 70.783 -4.938 10.316 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.505 -5.534 9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.246 -4.648 10.553 1.00 0.00 H new ATOM 0 HD21 ASN A 46 71.324 -6.159 11.847 1.00 0.00 H new ATOM 0 HD22 ASN A 46 71.943 -7.792 12.112 1.00 0.00 H new ATOM 679 N THR A 47 72.071 -3.818 7.472 1.00 0.00 N ATOM 680 CA THR A 47 72.204 -2.633 6.625 1.00 0.00 C ATOM 681 C THR A 47 70.837 -1.996 6.375 1.00 0.00 C ATOM 682 O THR A 47 70.597 -0.835 6.720 1.00 0.00 O ATOM 683 CB THR A 47 72.838 -3.008 5.282 1.00 0.00 C ATOM 684 OG1 THR A 47 73.854 -3.975 5.496 1.00 0.00 O ATOM 685 CG2 THR A 47 73.452 -1.768 4.636 1.00 0.00 C ATOM 0 H THR A 47 72.438 -4.676 7.061 1.00 0.00 H new ATOM 0 HA THR A 47 72.844 -1.918 7.142 1.00 0.00 H new ATOM 0 HB THR A 47 72.071 -3.417 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.493 -4.871 5.332 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.902 -2.040 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 47 72.675 -1.021 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.218 -1.357 5.294 1.00 0.00 H new ATOM 693 N VAL A 48 69.940 -2.778 5.785 1.00 0.00 N ATOM 694 CA VAL A 48 68.591 -2.294 5.501 1.00 0.00 C ATOM 695 C VAL A 48 67.880 -1.934 6.804 1.00 0.00 C ATOM 696 O VAL A 48 67.055 -1.022 6.847 1.00 0.00 O ATOM 697 CB VAL A 48 67.778 -3.363 4.761 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.422 -2.785 4.347 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.539 -3.812 3.509 1.00 0.00 C ATOM 0 H VAL A 48 70.118 -3.740 5.496 1.00 0.00 H new ATOM 0 HA VAL A 48 68.672 -1.409 4.870 1.00 0.00 H new ATOM 0 HB VAL A 48 67.624 -4.216 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.847 -3.547 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.876 -2.466 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.577 -1.929 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.960 -4.572 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.695 -2.957 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.504 -4.228 3.799 1.00 0.00 H new ATOM 709 N GLY A 49 68.217 -2.663 7.867 1.00 0.00 N ATOM 710 CA GLY A 49 67.614 -2.417 9.172 1.00 0.00 C ATOM 711 C GLY A 49 67.950 -1.015 9.666 1.00 0.00 C ATOM 712 O GLY A 49 67.127 -0.344 10.294 1.00 0.00 O ATOM 0 H GLY A 49 68.898 -3.422 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.532 -2.535 9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.972 -3.156 9.889 1.00 0.00 H new ATOM 716 N ARG A 50 69.171 -0.575 9.376 1.00 0.00 N ATOM 717 CA ARG A 50 69.609 0.748 9.795 1.00 0.00 C ATOM 718 C ARG A 50 68.867 1.823 9.018 1.00 0.00 C ATOM 719 O ARG A 50 68.500 2.863 9.567 1.00 0.00 O ATOM 720 CB ARG A 50 71.114 0.910 9.568 1.00 0.00 C ATOM 721 CG ARG A 50 71.594 2.213 10.212 1.00 0.00 C ATOM 722 CD ARG A 50 73.001 2.016 10.777 1.00 0.00 C ATOM 723 NE ARG A 50 73.503 3.261 11.365 1.00 0.00 N ATOM 724 CZ ARG A 50 74.698 3.335 11.967 1.00 0.00 C ATOM 725 NH1 ARG A 50 75.480 2.285 12.058 1.00 0.00 N ATOM 726 NH2 ARG A 50 75.092 4.472 12.473 1.00 0.00 N ATOM 0 H ARG A 50 69.867 -1.111 8.858 1.00 0.00 H new ATOM 0 HA ARG A 50 69.391 0.856 10.858 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.650 0.062 9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.332 0.919 8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.596 3.016 9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 50 70.910 2.512 11.007 1.00 0.00 H new ATOM 0 HD2 ARG A 50 72.988 1.231 11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.673 1.685 9.985 1.00 0.00 H new ATOM 0 HE ARG A 50 72.924 4.099 11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 50 75.182 1.392 11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 50 76.386 2.362 12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 50 74.492 5.294 12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 50 76.000 4.538 12.933 1.00 0.00 H new ATOM 740 N ILE A 51 68.646 1.567 7.733 1.00 0.00 N ATOM 741 CA ILE A 51 67.942 2.536 6.897 1.00 0.00 C ATOM 742 C ILE A 51 66.483 2.647 7.318 1.00 0.00 C ATOM 743 O ILE A 51 65.957 3.746 7.476 1.00 0.00 O ATOM 744 CB ILE A 51 68.004 2.151 5.413 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.433 1.740 5.013 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.570 3.347 4.565 1.00 0.00 C ATOM 747 CD1 ILE A 51 70.432 2.856 5.341 1.00 0.00 C ATOM 0 H ILE A 51 68.937 0.715 7.254 1.00 0.00 H new ATOM 0 HA ILE A 51 68.439 3.496 7.032 1.00 0.00 H new ATOM 0 HB ILE A 51 67.337 1.305 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.715 0.828 5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 51 69.467 1.517 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.612 3.079 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.550 3.628 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 51 68.238 4.188 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 51 71.435 2.544 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 51 70.160 3.759 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 51 70.412 3.059 6.412 1.00 0.00 H new ATOM 759 N GLU A 52 65.825 1.505 7.498 1.00 0.00 N ATOM 760 CA GLU A 52 64.419 1.517 7.899 1.00 0.00 C ATOM 761 C GLU A 52 64.245 2.227 9.240 1.00 0.00 C ATOM 762 O GLU A 52 63.190 2.796 9.520 1.00 0.00 O ATOM 763 CB GLU A 52 63.865 0.093 8.005 1.00 0.00 C ATOM 764 CG GLU A 52 64.702 -0.714 8.996 1.00 0.00 C ATOM 765 CD GLU A 52 64.088 -2.099 9.168 1.00 0.00 C ATOM 766 OE1 GLU A 52 64.398 -2.967 8.368 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.318 -2.274 10.098 1.00 0.00 O ATOM 0 H GLU A 52 66.231 0.577 7.376 1.00 0.00 H new ATOM 0 HA GLU A 52 63.865 2.057 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.825 0.121 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.880 -0.387 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.727 -0.801 8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.743 -0.201 9.957 1.00 0.00 H new ATOM 774 N ARG A 53 65.287 2.190 10.070 1.00 0.00 N ATOM 775 CA ARG A 53 65.219 2.839 11.377 1.00 0.00 C ATOM 776 C ARG A 53 65.676 4.292 11.286 1.00 0.00 C ATOM 777 O ARG A 53 65.075 5.186 11.883 1.00 0.00 O ATOM 778 CB ARG A 53 66.095 2.102 12.391 1.00 0.00 C ATOM 779 CG ARG A 53 65.828 2.653 13.793 1.00 0.00 C ATOM 780 CD ARG A 53 66.282 1.633 14.839 1.00 0.00 C ATOM 781 NE ARG A 53 66.590 2.296 16.108 1.00 0.00 N ATOM 782 CZ ARG A 53 67.736 2.965 16.303 1.00 0.00 C ATOM 783 NH1 ARG A 53 68.641 3.054 15.357 1.00 0.00 N ATOM 784 NH2 ARG A 53 67.954 3.538 17.454 1.00 0.00 N ATOM 0 H ARG A 53 66.172 1.727 9.866 1.00 0.00 H new ATOM 0 HA ARG A 53 64.180 2.810 11.706 1.00 0.00 H new ATOM 0 HB2 ARG A 53 65.882 1.033 12.362 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.147 2.224 12.135 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.360 3.594 13.933 1.00 0.00 H new ATOM 0 HG3 ARG A 53 64.766 2.866 13.915 1.00 0.00 H new ATOM 0 HD2 ARG A 53 65.500 0.889 14.992 1.00 0.00 H new ATOM 0 HD3 ARG A 53 67.162 1.101 14.478 1.00 0.00 H new ATOM 0 HE ARG A 53 65.911 2.247 16.868 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.479 2.610 14.453 1.00 0.00 H new ATOM 0 HH12 ARG A 53 69.506 3.568 15.525 1.00 0.00 H new ATOM 0 HH21 ARG A 53 67.256 3.475 18.195 1.00 0.00 H new ATOM 0 HH22 ARG A 53 68.822 4.049 17.613 1.00 0.00 H new ATOM 798 N ASP A 54 66.750 4.519 10.538 1.00 0.00 N ATOM 799 CA ASP A 54 67.287 5.864 10.380 1.00 0.00 C ATOM 800 C ASP A 54 66.363 6.723 9.520 1.00 0.00 C ATOM 801 O ASP A 54 66.108 7.886 9.831 1.00 0.00 O ATOM 802 CB ASP A 54 68.669 5.812 9.727 1.00 0.00 C ATOM 803 CG ASP A 54 69.719 5.467 10.779 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.556 5.888 11.913 1.00 0.00 O ATOM 805 OD2 ASP A 54 70.672 4.787 10.435 1.00 0.00 O ATOM 0 H ASP A 54 67.262 3.794 10.035 1.00 0.00 H new ATOM 0 HA ASP A 54 67.366 6.308 11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 54 68.679 5.067 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 54 68.902 6.773 9.268 1.00 0.00 H new ATOM 810 N TYR A 55 65.866 6.137 8.436 1.00 0.00 N ATOM 811 CA TYR A 55 64.970 6.858 7.535 1.00 0.00 C ATOM 812 C TYR A 55 63.507 6.635 7.925 1.00 0.00 C ATOM 813 O TYR A 55 62.639 7.445 7.598 1.00 0.00 O ATOM 814 CB TYR A 55 65.183 6.398 6.080 1.00 0.00 C ATOM 815 CG TYR A 55 66.420 7.042 5.444 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.298 7.867 6.181 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.685 6.799 4.088 1.00 0.00 C ATOM 818 CE1 TYR A 55 68.418 8.435 5.560 1.00 0.00 C ATOM 819 CE2 TYR A 55 67.807 7.369 3.474 1.00 0.00 C ATOM 820 CZ TYR A 55 68.671 8.186 4.209 1.00 0.00 C ATOM 821 OH TYR A 55 69.776 8.747 3.600 1.00 0.00 O ATOM 0 H TYR A 55 66.065 5.175 8.161 1.00 0.00 H new ATOM 0 HA TYR A 55 65.201 7.920 7.617 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.287 5.313 6.055 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.302 6.647 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.106 8.060 7.226 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.021 6.169 3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.087 9.066 6.127 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.005 7.177 2.430 1.00 0.00 H new ATOM 0 HH TYR A 55 69.530 9.066 2.706 1.00 0.00 H new ATOM 831 N GLY A 56 63.238 5.536 8.633 1.00 0.00 N ATOM 832 CA GLY A 56 61.872 5.240 9.060 1.00 0.00 C ATOM 833 C GLY A 56 61.085 4.560 7.944 1.00 0.00 C ATOM 834 O GLY A 56 59.869 4.721 7.836 1.00 0.00 O ATOM 0 H GLY A 56 63.935 4.848 8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 56 61.894 4.596 9.939 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.371 6.163 9.353 1.00 0.00 H new ATOM 838 N VAL A 57 61.791 3.793 7.119 1.00 0.00 N ATOM 839 CA VAL A 57 61.146 3.086 6.014 1.00 0.00 C ATOM 840 C VAL A 57 60.325 1.916 6.549 1.00 0.00 C ATOM 841 O VAL A 57 60.783 1.159 7.406 1.00 0.00 O ATOM 842 CB VAL A 57 62.191 2.553 5.029 1.00 0.00 C ATOM 843 CG1 VAL A 57 61.487 1.991 3.791 1.00 0.00 C ATOM 844 CG2 VAL A 57 63.128 3.688 4.608 1.00 0.00 C ATOM 0 H VAL A 57 62.798 3.645 7.191 1.00 0.00 H new ATOM 0 HA VAL A 57 60.493 3.790 5.497 1.00 0.00 H new ATOM 0 HB VAL A 57 62.770 1.764 5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.231 1.612 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 57 60.821 1.180 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 60.907 2.780 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 57 63.870 3.306 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.550 4.478 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.632 4.089 5.487 1.00 0.00 H new ATOM 854 N GLN A 58 59.105 1.775 6.036 1.00 0.00 N ATOM 855 CA GLN A 58 58.231 0.691 6.478 1.00 0.00 C ATOM 856 C GLN A 58 57.043 0.532 5.527 1.00 0.00 C ATOM 857 O GLN A 58 55.881 0.597 5.935 1.00 0.00 O ATOM 858 CB GLN A 58 57.718 0.966 7.894 1.00 0.00 C ATOM 859 CG GLN A 58 57.047 -0.293 8.447 1.00 0.00 C ATOM 860 CD GLN A 58 56.947 -0.192 9.965 1.00 0.00 C ATOM 861 OE1 GLN A 58 56.084 0.509 10.492 1.00 0.00 O ATOM 862 NE2 GLN A 58 57.789 -0.857 10.708 1.00 0.00 N ATOM 0 H GLN A 58 58.704 2.387 5.325 1.00 0.00 H new ATOM 0 HA GLN A 58 58.810 -0.232 6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 58 58.544 1.264 8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 58 57.008 1.793 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 58 56.054 -0.409 8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 58 57.621 -1.176 8.168 1.00 0.00 H new ATOM 0 HE21 GLN A 58 58.505 -1.438 10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 58 57.731 -0.795 11.724 1.00 0.00 H new ATOM 871 N LEU A 59 57.347 0.316 4.251 1.00 0.00 N ATOM 872 CA LEU A 59 56.297 0.141 3.247 1.00 0.00 C ATOM 873 C LEU A 59 55.751 -1.281 3.308 1.00 0.00 C ATOM 874 O LEU A 59 54.554 -1.514 3.144 1.00 0.00 O ATOM 875 CB LEU A 59 56.832 0.405 1.832 1.00 0.00 C ATOM 876 CG LEU A 59 58.009 1.390 1.743 1.00 0.00 C ATOM 877 CD1 LEU A 59 59.308 0.626 1.469 1.00 0.00 C ATOM 878 CD2 LEU A 59 57.765 2.392 0.611 1.00 0.00 C ATOM 0 H LEU A 59 58.299 0.258 3.888 1.00 0.00 H new ATOM 0 HA LEU A 59 55.506 0.858 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.142 -0.545 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.015 0.785 1.219 1.00 0.00 H new ATOM 0 HG LEU A 59 58.094 1.924 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 59 60.138 1.330 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.492 -0.081 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 59 59.220 0.085 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.603 3.087 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 59 57.671 1.857 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.847 2.946 0.807 1.00 0.00 H new ATOM 890 N GLY A 60 56.653 -2.228 3.547 1.00 0.00 N ATOM 891 CA GLY A 60 56.270 -3.631 3.630 1.00 0.00 C ATOM 892 C GLY A 60 57.448 -4.483 4.086 1.00 0.00 C ATOM 893 O GLY A 60 58.548 -4.391 3.541 1.00 0.00 O ATOM 0 H GLY A 60 57.648 -2.050 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.440 -3.746 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 60 55.920 -3.976 2.657 1.00 0.00 H new ATOM 897 N ASP A 61 57.205 -5.313 5.097 1.00 0.00 N ATOM 898 CA ASP A 61 58.250 -6.185 5.633 1.00 0.00 C ATOM 899 C ASP A 61 58.819 -7.090 4.541 1.00 0.00 C ATOM 900 O ASP A 61 59.982 -7.493 4.593 1.00 0.00 O ATOM 901 CB ASP A 61 57.693 -7.058 6.760 1.00 0.00 C ATOM 902 CG ASP A 61 57.026 -6.173 7.807 1.00 0.00 C ATOM 903 OD1 ASP A 61 57.732 -5.671 8.666 1.00 0.00 O ATOM 904 OD2 ASP A 61 55.820 -6.011 7.736 1.00 0.00 O ATOM 0 H ASP A 61 56.300 -5.401 5.560 1.00 0.00 H new ATOM 0 HA ASP A 61 59.044 -5.547 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 61 56.973 -7.772 6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 61 58.496 -7.637 7.216 1.00 0.00 H new ATOM 909 N ASP A 62 57.990 -7.405 3.548 1.00 0.00 N ATOM 910 CA ASP A 62 58.428 -8.265 2.454 1.00 0.00 C ATOM 911 C ASP A 62 59.272 -7.498 1.432 1.00 0.00 C ATOM 912 O ASP A 62 59.748 -8.077 0.457 1.00 0.00 O ATOM 913 CB ASP A 62 57.226 -8.882 1.738 1.00 0.00 C ATOM 914 CG ASP A 62 56.268 -7.780 1.304 1.00 0.00 C ATOM 915 OD1 ASP A 62 55.720 -7.121 2.172 1.00 0.00 O ATOM 916 OD2 ASP A 62 56.094 -7.610 0.108 1.00 0.00 O ATOM 0 H ASP A 62 57.025 -7.082 3.479 1.00 0.00 H new ATOM 0 HA ASP A 62 59.041 -9.051 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.560 -9.450 0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.716 -9.582 2.400 1.00 0.00 H new ATOM 921 N ALA A 63 59.476 -6.196 1.663 1.00 0.00 N ATOM 922 CA ALA A 63 60.287 -5.392 0.753 1.00 0.00 C ATOM 923 C ALA A 63 61.684 -5.990 0.637 1.00 0.00 C ATOM 924 O ALA A 63 62.321 -5.933 -0.414 1.00 0.00 O ATOM 925 CB ALA A 63 60.408 -3.962 1.274 1.00 0.00 C ATOM 0 H ALA A 63 59.096 -5.686 2.461 1.00 0.00 H new ATOM 0 HA ALA A 63 59.803 -5.385 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.015 -3.374 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.416 -3.518 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.880 -3.971 2.257 1.00 0.00 H new ATOM 931 N VAL A 64 62.142 -6.578 1.738 1.00 0.00 N ATOM 932 CA VAL A 64 63.458 -7.204 1.764 1.00 0.00 C ATOM 933 C VAL A 64 63.471 -8.433 0.858 1.00 0.00 C ATOM 934 O VAL A 64 64.507 -8.798 0.300 1.00 0.00 O ATOM 935 CB VAL A 64 63.825 -7.629 3.189 1.00 0.00 C ATOM 936 CG1 VAL A 64 65.278 -8.106 3.224 1.00 0.00 C ATOM 937 CG2 VAL A 64 63.660 -6.438 4.137 1.00 0.00 C ATOM 0 H VAL A 64 61.626 -6.634 2.616 1.00 0.00 H new ATOM 0 HA VAL A 64 64.188 -6.476 1.408 1.00 0.00 H new ATOM 0 HB VAL A 64 63.168 -8.440 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 64 65.537 -8.408 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.399 -8.955 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.935 -7.296 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.921 -6.741 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.316 -5.627 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.625 -6.097 4.116 1.00 0.00 H new ATOM 947 N GLU A 65 62.307 -9.068 0.716 1.00 0.00 N ATOM 948 CA GLU A 65 62.198 -10.254 -0.126 1.00 0.00 C ATOM 949 C GLU A 65 62.358 -9.878 -1.596 1.00 0.00 C ATOM 950 O GLU A 65 63.211 -10.416 -2.302 1.00 0.00 O ATOM 951 CB GLU A 65 60.840 -10.928 0.071 1.00 0.00 C ATOM 952 CG GLU A 65 60.916 -12.381 -0.404 1.00 0.00 C ATOM 953 CD GLU A 65 60.492 -12.461 -1.866 1.00 0.00 C ATOM 954 OE1 GLU A 65 61.311 -12.157 -2.717 1.00 0.00 O ATOM 955 OE2 GLU A 65 59.354 -12.828 -2.113 1.00 0.00 O ATOM 0 H GLU A 65 61.438 -8.784 1.168 1.00 0.00 H new ATOM 0 HA GLU A 65 62.990 -10.945 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.554 -10.893 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.072 -10.392 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.931 -12.760 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 65 60.269 -13.009 0.208 1.00 0.00 H new ATOM 962 N LYS A 66 61.523 -8.946 -2.049 1.00 0.00 N ATOM 963 CA LYS A 66 61.574 -8.499 -3.438 1.00 0.00 C ATOM 964 C LYS A 66 62.927 -7.866 -3.747 1.00 0.00 C ATOM 965 O LYS A 66 63.449 -7.992 -4.854 1.00 0.00 O ATOM 966 CB LYS A 66 60.471 -7.474 -3.712 1.00 0.00 C ATOM 967 CG LYS A 66 59.116 -8.064 -3.313 1.00 0.00 C ATOM 968 CD LYS A 66 58.027 -7.503 -4.229 1.00 0.00 C ATOM 969 CE LYS A 66 56.792 -8.404 -4.166 1.00 0.00 C ATOM 970 NZ LYS A 66 56.112 -8.409 -5.492 1.00 0.00 N ATOM 0 H LYS A 66 60.810 -8.490 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 66 61.427 -9.371 -4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.661 -6.560 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.465 -7.203 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.144 -9.151 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.893 -7.821 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 66 57.767 -6.490 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.394 -7.443 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 66 57.082 -9.418 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 66 56.108 -8.048 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 55.273 -9.021 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 55.822 -7.441 -5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 56.766 -8.768 -6.216 1.00 0.00 H new ATOM 984 N ALA A 67 63.488 -7.184 -2.753 1.00 0.00 N ATOM 985 CA ALA A 67 64.784 -6.531 -2.925 1.00 0.00 C ATOM 986 C ALA A 67 65.865 -7.556 -3.248 1.00 0.00 C ATOM 987 O ALA A 67 66.405 -8.214 -2.358 1.00 0.00 O ATOM 988 CB ALA A 67 65.182 -5.780 -1.655 1.00 0.00 C ATOM 0 H ALA A 67 63.072 -7.069 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 67 64.691 -5.827 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.150 -5.301 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.432 -5.021 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.248 -6.481 -0.823 1.00 0.00 H new ATOM 994 N THR A 68 66.182 -7.677 -4.533 1.00 0.00 N ATOM 995 CA THR A 68 67.213 -8.616 -4.969 1.00 0.00 C ATOM 996 C THR A 68 68.469 -7.851 -5.379 1.00 0.00 C ATOM 997 O THR A 68 69.589 -8.319 -5.190 1.00 0.00 O ATOM 998 CB THR A 68 66.720 -9.456 -6.153 1.00 0.00 C ATOM 999 OG1 THR A 68 67.767 -10.310 -6.590 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.294 -8.540 -7.302 1.00 0.00 C ATOM 0 H THR A 68 65.746 -7.143 -5.285 1.00 0.00 H new ATOM 0 HA THR A 68 67.442 -9.283 -4.138 1.00 0.00 H new ATOM 0 HB THR A 68 65.864 -10.054 -5.839 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.455 -10.850 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.945 -9.145 -8.139 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.489 -7.886 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.144 -7.936 -7.620 1.00 0.00 H new ATOM 1008 N THR A 69 68.261 -6.661 -5.934 1.00 0.00 N ATOM 1009 CA THR A 69 69.372 -5.816 -6.363 1.00 0.00 C ATOM 1010 C THR A 69 69.459 -4.597 -5.440 1.00 0.00 C ATOM 1011 O THR A 69 68.560 -4.371 -4.631 1.00 0.00 O ATOM 1012 CB THR A 69 69.166 -5.343 -7.817 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.843 -5.650 -8.239 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.165 -6.040 -8.744 1.00 0.00 C ATOM 0 H THR A 69 67.337 -6.260 -6.097 1.00 0.00 H new ATOM 0 HA THR A 69 70.295 -6.393 -6.312 1.00 0.00 H new ATOM 0 HB THR A 69 69.325 -4.266 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.715 -5.347 -9.162 1.00 0.00 H new ATOM 0 HG21 THR A 69 70.011 -5.699 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.181 -5.800 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 69 70.016 -7.119 -8.695 1.00 0.00 H new ATOM 1022 N PRO A 70 70.519 -3.781 -5.548 1.00 0.00 N ATOM 1023 CA PRO A 70 70.649 -2.590 -4.692 1.00 0.00 C ATOM 1024 C PRO A 70 69.620 -1.536 -5.064 1.00 0.00 C ATOM 1025 O PRO A 70 69.008 -0.911 -4.198 1.00 0.00 O ATOM 1026 CB PRO A 70 72.070 -2.123 -4.975 1.00 0.00 C ATOM 1027 CG PRO A 70 72.443 -2.686 -6.333 1.00 0.00 C ATOM 1028 CD PRO A 70 71.625 -3.964 -6.517 1.00 0.00 C ATOM 0 HA PRO A 70 70.474 -2.790 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 70 72.128 -1.035 -4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.756 -2.478 -4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.223 -1.968 -7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.511 -2.899 -6.384 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.257 -4.066 -7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.212 -4.856 -6.299 1.00 0.00 H new ATOM 1036 N ARG A 71 69.408 -1.369 -6.369 1.00 0.00 N ATOM 1037 CA ARG A 71 68.418 -0.409 -6.851 1.00 0.00 C ATOM 1038 C ARG A 71 67.037 -0.715 -6.260 1.00 0.00 C ATOM 1039 O ARG A 71 66.175 0.160 -6.184 1.00 0.00 O ATOM 1040 CB ARG A 71 68.324 -0.458 -8.377 1.00 0.00 C ATOM 1041 CG ARG A 71 69.691 -0.134 -8.984 1.00 0.00 C ATOM 1042 CD ARG A 71 69.762 1.356 -9.320 1.00 0.00 C ATOM 1043 NE ARG A 71 70.794 1.607 -10.327 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.836 2.742 -11.040 1.00 0.00 C ATOM 1045 NH1 ARG A 71 69.944 3.688 -10.863 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.781 2.909 -11.925 1.00 0.00 N ATOM 0 H ARG A 71 69.901 -1.879 -7.102 1.00 0.00 H new ATOM 0 HA ARG A 71 68.736 0.585 -6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.996 -1.446 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.580 0.256 -8.729 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.483 -0.397 -8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.851 -0.728 -9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.795 1.698 -9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 71 69.979 1.928 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 71 71.505 0.895 -10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.202 3.567 -10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 71 69.992 4.544 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.479 2.180 -12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.821 3.769 -12.472 1.00 0.00 H new ATOM 1060 N ALA A 72 66.835 -1.968 -5.834 1.00 0.00 N ATOM 1061 CA ALA A 72 65.558 -2.364 -5.248 1.00 0.00 C ATOM 1062 C ALA A 72 65.387 -1.719 -3.879 1.00 0.00 C ATOM 1063 O ALA A 72 64.420 -0.998 -3.629 1.00 0.00 O ATOM 1064 CB ALA A 72 65.485 -3.884 -5.097 1.00 0.00 C ATOM 0 H ALA A 72 67.531 -2.712 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 72 64.761 -2.030 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.526 -4.160 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.585 -4.352 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.292 -4.224 -4.448 1.00 0.00 H new ATOM 1070 N LEU A 73 66.347 -1.982 -2.995 1.00 0.00 N ATOM 1071 CA LEU A 73 66.315 -1.421 -1.640 1.00 0.00 C ATOM 1072 C LEU A 73 66.210 0.098 -1.696 1.00 0.00 C ATOM 1073 O LEU A 73 65.439 0.712 -0.959 1.00 0.00 O ATOM 1074 CB LEU A 73 67.586 -1.784 -0.870 1.00 0.00 C ATOM 1075 CG LEU A 73 67.920 -3.274 -0.824 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.328 -3.460 -0.255 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.910 -3.991 0.074 1.00 0.00 C ATOM 0 H LEU A 73 67.153 -2.576 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 73 65.446 -1.839 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.426 -1.254 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.488 -1.419 0.152 1.00 0.00 H new ATOM 0 HG LEU A 73 67.875 -3.691 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.569 -4.522 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 73 70.048 -2.945 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.371 -3.046 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 73 67.145 -5.055 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.958 -3.575 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.906 -3.855 -0.327 1.00 0.00 H new ATOM 1089 N ILE A 74 66.992 0.694 -2.587 1.00 0.00 N ATOM 1090 CA ILE A 74 66.976 2.145 -2.743 1.00 0.00 C ATOM 1091 C ILE A 74 65.589 2.600 -3.194 1.00 0.00 C ATOM 1092 O ILE A 74 65.104 3.655 -2.793 1.00 0.00 O ATOM 1093 CB ILE A 74 68.016 2.592 -3.783 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.405 2.102 -3.361 1.00 0.00 C ATOM 1095 CG2 ILE A 74 68.030 4.124 -3.880 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.421 2.426 -4.461 1.00 0.00 C ATOM 0 H ILE A 74 67.638 0.204 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 74 67.221 2.596 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 74 67.755 2.169 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.701 2.579 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.383 1.028 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.769 4.435 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 74 67.044 4.479 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.287 4.548 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.408 2.077 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 74 70.127 1.929 -5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.451 3.504 -4.622 1.00 0.00 H new ATOM 1108 N GLU A 75 64.961 1.791 -4.038 1.00 0.00 N ATOM 1109 CA GLU A 75 63.635 2.128 -4.547 1.00 0.00 C ATOM 1110 C GLU A 75 62.594 2.101 -3.435 1.00 0.00 C ATOM 1111 O GLU A 75 61.838 3.056 -3.257 1.00 0.00 O ATOM 1112 CB GLU A 75 63.219 1.153 -5.651 1.00 0.00 C ATOM 1113 CG GLU A 75 63.678 1.693 -7.007 1.00 0.00 C ATOM 1114 CD GLU A 75 62.646 2.682 -7.537 1.00 0.00 C ATOM 1115 OE1 GLU A 75 62.641 3.810 -7.071 1.00 0.00 O ATOM 1116 OE2 GLU A 75 61.875 2.297 -8.401 1.00 0.00 O ATOM 0 H GLU A 75 65.341 0.909 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 75 63.688 3.138 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.659 0.172 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.137 1.022 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.647 2.182 -6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 75 63.806 0.872 -7.713 1.00 0.00 H new ATOM 1123 N MET A 76 62.556 1.003 -2.691 1.00 0.00 N ATOM 1124 CA MET A 76 61.595 0.875 -1.601 1.00 0.00 C ATOM 1125 C MET A 76 61.823 1.964 -0.557 1.00 0.00 C ATOM 1126 O MET A 76 60.886 2.432 0.091 1.00 0.00 O ATOM 1127 CB MET A 76 61.720 -0.498 -0.940 1.00 0.00 C ATOM 1128 CG MET A 76 63.155 -0.713 -0.462 1.00 0.00 C ATOM 1129 SD MET A 76 63.250 -2.251 0.488 1.00 0.00 S ATOM 1130 CE MET A 76 64.121 -1.576 1.924 1.00 0.00 C ATOM 0 H MET A 76 63.170 0.198 -2.818 1.00 0.00 H new ATOM 0 HA MET A 76 60.593 0.984 -2.017 1.00 0.00 H new ATOM 0 HB2 MET A 76 61.032 -0.570 -0.098 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.442 -1.279 -1.647 1.00 0.00 H new ATOM 0 HG2 MET A 76 63.831 -0.758 -1.316 1.00 0.00 H new ATOM 0 HG3 MET A 76 63.474 0.128 0.154 1.00 0.00 H new ATOM 0 HE1 MET A 76 64.132 -2.316 2.724 1.00 0.00 H new ATOM 0 HE2 MET A 76 65.145 -1.328 1.645 1.00 0.00 H new ATOM 0 HE3 MET A 76 63.611 -0.677 2.269 1.00 0.00 H new ATOM 1140 N THR A 77 63.082 2.365 -0.404 1.00 0.00 N ATOM 1141 CA THR A 77 63.429 3.401 0.561 1.00 0.00 C ATOM 1142 C THR A 77 62.951 4.770 0.081 1.00 0.00 C ATOM 1143 O THR A 77 62.237 5.474 0.791 1.00 0.00 O ATOM 1144 CB THR A 77 64.945 3.448 0.769 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.418 2.145 1.081 1.00 0.00 O ATOM 1146 CG2 THR A 77 65.278 4.402 1.918 1.00 0.00 C ATOM 0 H THR A 77 63.872 1.992 -0.931 1.00 0.00 H new ATOM 0 HA THR A 77 62.937 3.159 1.503 1.00 0.00 H new ATOM 0 HB THR A 77 65.425 3.802 -0.143 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.661 1.678 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.358 4.433 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.915 5.401 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.799 4.052 2.832 1.00 0.00 H new ATOM 1154 N ASN A 78 63.353 5.139 -1.134 1.00 0.00 N ATOM 1155 CA ASN A 78 62.964 6.432 -1.695 1.00 0.00 C ATOM 1156 C ASN A 78 61.451 6.527 -1.825 1.00 0.00 C ATOM 1157 O ASN A 78 60.859 7.590 -1.650 1.00 0.00 O ATOM 1158 CB ASN A 78 63.583 6.622 -3.079 1.00 0.00 C ATOM 1159 CG ASN A 78 65.052 6.998 -2.931 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.430 8.154 -3.107 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.913 6.077 -2.610 1.00 0.00 N ATOM 0 H ASN A 78 63.941 4.569 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 78 63.324 7.208 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.488 5.705 -3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 78 63.050 7.401 -3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.899 6.315 -2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.602 5.117 -2.463 1.00 0.00 H new ATOM 1168 N ALA A 79 60.843 5.394 -2.136 1.00 0.00 N ATOM 1169 CA ALA A 79 59.397 5.322 -2.296 1.00 0.00 C ATOM 1170 C ALA A 79 58.708 5.551 -0.962 1.00 0.00 C ATOM 1171 O ALA A 79 57.616 6.114 -0.893 1.00 0.00 O ATOM 1172 CB ALA A 79 58.993 3.947 -2.825 1.00 0.00 C ATOM 0 H ALA A 79 61.328 4.509 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 79 59.094 6.094 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.910 3.905 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.468 3.775 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.313 3.178 -2.122 1.00 0.00 H new ATOM 1178 N SER A 80 59.362 5.096 0.099 1.00 0.00 N ATOM 1179 CA SER A 80 58.814 5.238 1.433 1.00 0.00 C ATOM 1180 C SER A 80 58.896 6.688 1.889 1.00 0.00 C ATOM 1181 O SER A 80 57.937 7.230 2.441 1.00 0.00 O ATOM 1182 CB SER A 80 59.563 4.336 2.416 1.00 0.00 C ATOM 1183 OG SER A 80 60.784 4.955 2.798 1.00 0.00 O ATOM 0 H SER A 80 60.268 4.628 0.058 1.00 0.00 H new ATOM 0 HA SER A 80 57.767 4.937 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.947 4.150 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.763 3.368 1.957 1.00 0.00 H new ATOM 0 HG SER A 80 61.460 4.799 2.106 1.00 0.00 H new ATOM 1189 N LEU A 81 60.043 7.318 1.649 1.00 0.00 N ATOM 1190 CA LEU A 81 60.210 8.709 2.043 1.00 0.00 C ATOM 1191 C LEU A 81 59.312 9.605 1.199 1.00 0.00 C ATOM 1192 O LEU A 81 58.589 10.451 1.726 1.00 0.00 O ATOM 1193 CB LEU A 81 61.664 9.169 1.884 1.00 0.00 C ATOM 1194 CG LEU A 81 62.658 8.691 2.959 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.017 8.730 4.348 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.104 7.265 2.650 1.00 0.00 C ATOM 0 H LEU A 81 60.853 6.897 1.194 1.00 0.00 H new ATOM 0 HA LEU A 81 59.933 8.786 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.024 8.831 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 81 61.677 10.259 1.868 1.00 0.00 H new ATOM 0 HG LEU A 81 63.519 9.359 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 81 62.738 8.388 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 81 61.713 9.751 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.143 8.079 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.807 6.930 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 81 62.236 6.606 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.588 7.239 1.674 1.00 0.00 H new ATOM 1208 N THR A 82 59.359 9.412 -0.115 1.00 0.00 N ATOM 1209 CA THR A 82 58.532 10.221 -1.010 1.00 0.00 C ATOM 1210 C THR A 82 57.050 9.921 -0.780 1.00 0.00 C ATOM 1211 O THR A 82 56.194 10.791 -0.941 1.00 0.00 O ATOM 1212 CB THR A 82 58.890 9.957 -2.482 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.129 10.824 -3.311 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.588 8.501 -2.854 1.00 0.00 C ATOM 0 H THR A 82 59.946 8.719 -0.579 1.00 0.00 H new ATOM 0 HA THR A 82 58.727 11.270 -0.788 1.00 0.00 H new ATOM 0 HB THR A 82 59.954 10.142 -2.626 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.355 10.660 -4.250 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.847 8.331 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.175 7.835 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.527 8.300 -2.706 1.00 0.00 H new ATOM 1222 N GLY A 83 56.760 8.678 -0.401 1.00 0.00 N ATOM 1223 CA GLY A 83 55.381 8.268 -0.151 1.00 0.00 C ATOM 1224 C GLY A 83 54.749 9.093 0.969 1.00 0.00 C ATOM 1225 O GLY A 83 53.527 9.222 1.046 1.00 0.00 O ATOM 0 H GLY A 83 57.454 7.944 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.795 8.381 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.356 7.211 0.115 1.00 0.00 H new