USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 495 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 13 MET CE :methyl -115:sc= 0 (180deg=-0.0404) USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -5.84! C(o=-5.8!,f=-9.6!) USER MOD Single : A 16 TYR OH : rot -161:sc= 0.149 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 20 ASN : amide:sc= -0.763 K(o=-0.76,f=-1.7!) USER MOD Single : A 35 MET CE :methyl -133:sc= -0.0805 (180deg=-0.513) USER MOD Single : A 36 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.4!) USER MOD Single : A 37 GLN : amide:sc=-0.000711 X(o=-0.00071,f=-0.38) USER MOD Single : A 38 CYS SG : rot -89:sc= 0.232 USER MOD Single : A 47 SER OG : rot 180:sc= -0.117 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0363 K(o=-0.036,f=-2.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0043 USER MOD Single : A 59 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.073) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -55:sc= 0.0446 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.697 1.843 17.995 1.00 0.00 N ATOM 2 CA GLY A 1 -11.961 1.526 17.357 1.00 0.00 C ATOM 3 C GLY A 1 -12.590 0.263 17.912 1.00 0.00 C ATOM 4 O GLY A 1 -12.573 0.033 19.121 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.308 2.714 17.581 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.848 1.982 19.015 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.028 1.061 17.848 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.650 2.360 17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.804 1.409 16.285 1.00 0.00 H new ATOM 8 N SER A 2 -13.148 -0.557 17.026 1.00 0.00 N ATOM 9 CA SER A 2 -13.790 -1.800 17.435 1.00 0.00 C ATOM 10 C SER A 2 -12.974 -3.007 16.982 1.00 0.00 C ATOM 11 O SER A 2 -12.481 -3.049 15.855 1.00 0.00 O ATOM 12 CB SER A 2 -15.205 -1.882 16.859 1.00 0.00 C ATOM 13 OG SER A 2 -15.175 -1.989 15.446 1.00 0.00 O ATOM 0 H SER A 2 -13.168 -0.382 16.021 1.00 0.00 H new ATOM 0 HA SER A 2 -13.848 -1.809 18.523 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.724 -2.743 17.281 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.771 -0.996 17.148 1.00 0.00 H new ATOM 0 HG SER A 2 -16.091 -2.042 15.102 1.00 0.00 H new ATOM 19 N SER A 3 -12.837 -3.988 17.869 1.00 0.00 N ATOM 20 CA SER A 3 -12.078 -5.195 17.564 1.00 0.00 C ATOM 21 C SER A 3 -12.532 -5.801 16.239 1.00 0.00 C ATOM 22 O SER A 3 -13.726 -5.866 15.950 1.00 0.00 O ATOM 23 CB SER A 3 -12.237 -6.220 18.688 1.00 0.00 C ATOM 24 OG SER A 3 -11.241 -6.047 19.681 1.00 0.00 O ATOM 0 H SER A 3 -13.242 -3.970 18.805 1.00 0.00 H new ATOM 0 HA SER A 3 -11.026 -4.922 17.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.225 -6.120 19.138 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.174 -7.228 18.277 1.00 0.00 H new ATOM 0 HG SER A 3 -11.366 -6.713 20.389 1.00 0.00 H new ATOM 30 N GLY A 4 -11.568 -6.244 15.437 1.00 0.00 N ATOM 31 CA GLY A 4 -11.887 -6.839 14.153 1.00 0.00 C ATOM 32 C GLY A 4 -10.858 -6.508 13.089 1.00 0.00 C ATOM 33 O GLY A 4 -10.263 -5.431 13.106 1.00 0.00 O ATOM 0 H GLY A 4 -10.572 -6.201 15.654 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.955 -7.921 14.264 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.867 -6.490 13.828 1.00 0.00 H new ATOM 37 N SER A 5 -10.647 -7.438 12.163 1.00 0.00 N ATOM 38 CA SER A 5 -9.679 -7.242 11.090 1.00 0.00 C ATOM 39 C SER A 5 -10.274 -6.396 9.969 1.00 0.00 C ATOM 40 O SER A 5 -11.405 -6.623 9.539 1.00 0.00 O ATOM 41 CB SER A 5 -9.220 -8.592 10.537 1.00 0.00 C ATOM 42 OG SER A 5 -8.179 -9.140 11.327 1.00 0.00 O ATOM 0 H SER A 5 -11.133 -8.334 12.134 1.00 0.00 H new ATOM 0 HA SER A 5 -8.819 -6.714 11.502 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.063 -9.283 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.875 -8.470 9.510 1.00 0.00 H new ATOM 0 HG SER A 5 -7.905 -10.003 10.953 1.00 0.00 H new ATOM 48 N SER A 6 -9.504 -5.419 9.500 1.00 0.00 N ATOM 49 CA SER A 6 -9.955 -4.536 8.432 1.00 0.00 C ATOM 50 C SER A 6 -8.928 -4.477 7.305 1.00 0.00 C ATOM 51 O SER A 6 -7.730 -4.342 7.549 1.00 0.00 O ATOM 52 CB SER A 6 -10.212 -3.130 8.978 1.00 0.00 C ATOM 53 OG SER A 6 -10.988 -2.365 8.072 1.00 0.00 O ATOM 0 H SER A 6 -8.565 -5.219 9.843 1.00 0.00 H new ATOM 0 HA SER A 6 -10.885 -4.938 8.031 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.727 -3.197 9.936 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.262 -2.628 9.161 1.00 0.00 H new ATOM 0 HG SER A 6 -11.140 -1.471 8.445 1.00 0.00 H new ATOM 59 N GLY A 7 -9.407 -4.580 6.069 1.00 0.00 N ATOM 60 CA GLY A 7 -8.519 -4.536 4.923 1.00 0.00 C ATOM 61 C GLY A 7 -7.615 -5.751 4.843 1.00 0.00 C ATOM 62 O GLY A 7 -7.426 -6.460 5.832 1.00 0.00 O ATOM 0 H GLY A 7 -10.395 -4.693 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.111 -4.467 4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.908 -3.635 4.975 1.00 0.00 H new ATOM 66 N THR A 8 -7.056 -5.994 3.662 1.00 0.00 N ATOM 67 CA THR A 8 -6.171 -7.133 3.455 1.00 0.00 C ATOM 68 C THR A 8 -4.741 -6.799 3.865 1.00 0.00 C ATOM 69 O THR A 8 -4.233 -5.709 3.601 1.00 0.00 O ATOM 70 CB THR A 8 -6.178 -7.591 1.985 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.492 -8.020 1.612 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.188 -8.726 1.767 1.00 0.00 C ATOM 0 H THR A 8 -7.201 -5.417 2.834 1.00 0.00 H new ATOM 0 HA THR A 8 -6.546 -7.943 4.081 1.00 0.00 H new ATOM 0 HB THR A 8 -5.881 -6.746 1.363 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.488 -8.308 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.211 -9.033 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.184 -8.388 2.024 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.459 -9.572 2.399 1.00 0.00 H new ATOM 80 N PRO A 9 -4.074 -7.757 4.525 1.00 0.00 N ATOM 81 CA PRO A 9 -2.692 -7.588 4.984 1.00 0.00 C ATOM 82 C PRO A 9 -1.698 -7.555 3.828 1.00 0.00 C ATOM 83 O PRO A 9 -1.776 -8.367 2.906 1.00 0.00 O ATOM 84 CB PRO A 9 -2.455 -8.821 5.859 1.00 0.00 C ATOM 85 CG PRO A 9 -3.408 -9.842 5.340 1.00 0.00 C ATOM 86 CD PRO A 9 -4.618 -9.081 4.874 1.00 0.00 C ATOM 0 HA PRO A 9 -2.549 -6.643 5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.424 -9.167 5.784 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.642 -8.603 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.965 -10.409 4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.673 -10.559 6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.089 -9.561 4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.375 -9.011 5.655 1.00 0.00 H new ATOM 94 N TYR A 10 -0.763 -6.613 3.885 1.00 0.00 N ATOM 95 CA TYR A 10 0.246 -6.474 2.842 1.00 0.00 C ATOM 96 C TYR A 10 1.616 -6.178 3.445 1.00 0.00 C ATOM 97 O TYR A 10 1.742 -5.962 4.651 1.00 0.00 O ATOM 98 CB TYR A 10 -0.146 -5.361 1.869 1.00 0.00 C ATOM 99 CG TYR A 10 -1.026 -5.832 0.733 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.363 -6.145 0.948 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.521 -5.966 -0.554 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.171 -6.577 -0.087 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.321 -6.396 -1.595 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.645 -6.700 -1.356 1.00 0.00 C ATOM 105 OH TYR A 10 -3.446 -7.130 -2.390 1.00 0.00 O ATOM 0 H TYR A 10 -0.683 -5.935 4.642 1.00 0.00 H new ATOM 0 HA TYR A 10 0.304 -7.418 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.665 -4.576 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.759 -4.916 1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.778 -6.049 1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.516 -5.730 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.208 -6.817 0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.912 -6.494 -2.590 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.923 -7.161 -3.218 1.00 0.00 H new ATOM 115 N ARG A 11 2.639 -6.169 2.597 1.00 0.00 N ATOM 116 CA ARG A 11 4.000 -5.900 3.045 1.00 0.00 C ATOM 117 C ARG A 11 4.777 -5.122 1.986 1.00 0.00 C ATOM 118 O ARG A 11 4.868 -5.544 0.834 1.00 0.00 O ATOM 119 CB ARG A 11 4.723 -7.210 3.364 1.00 0.00 C ATOM 120 CG ARG A 11 6.232 -7.062 3.469 1.00 0.00 C ATOM 121 CD ARG A 11 6.846 -8.186 4.291 1.00 0.00 C ATOM 122 NE ARG A 11 8.274 -8.339 4.028 1.00 0.00 N ATOM 123 CZ ARG A 11 8.974 -9.412 4.377 1.00 0.00 C ATOM 124 NH1 ARG A 11 8.381 -10.421 5.001 1.00 0.00 N ATOM 125 NH2 ARG A 11 10.271 -9.478 4.103 1.00 0.00 N ATOM 0 H ARG A 11 2.551 -6.345 1.596 1.00 0.00 H new ATOM 0 HA ARG A 11 3.945 -5.294 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.339 -7.608 4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.491 -7.941 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.669 -7.059 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.474 -6.102 3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.692 -7.985 5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.334 -9.121 4.066 1.00 0.00 H new ATOM 0 HE ARG A 11 8.760 -7.580 3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.385 -10.374 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.921 -11.244 5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.731 -8.704 3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.808 -10.303 4.372 1.00 0.00 H new ATOM 139 N ALA A 12 5.336 -3.985 2.386 1.00 0.00 N ATOM 140 CA ALA A 12 6.106 -3.149 1.473 1.00 0.00 C ATOM 141 C ALA A 12 7.383 -3.855 1.028 1.00 0.00 C ATOM 142 O ALA A 12 8.294 -4.071 1.827 1.00 0.00 O ATOM 143 CB ALA A 12 6.438 -1.817 2.129 1.00 0.00 C ATOM 0 H ALA A 12 5.270 -3.621 3.337 1.00 0.00 H new ATOM 0 HA ALA A 12 5.497 -2.963 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.013 -1.203 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.515 -1.300 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.024 -1.992 3.031 1.00 0.00 H new ATOM 149 N MET A 13 7.441 -4.212 -0.251 1.00 0.00 N ATOM 150 CA MET A 13 8.607 -4.893 -0.801 1.00 0.00 C ATOM 151 C MET A 13 9.775 -3.925 -0.964 1.00 0.00 C ATOM 152 O MET A 13 10.938 -4.322 -0.886 1.00 0.00 O ATOM 153 CB MET A 13 8.264 -5.529 -2.150 1.00 0.00 C ATOM 154 CG MET A 13 7.103 -6.508 -2.082 1.00 0.00 C ATOM 155 SD MET A 13 7.214 -7.803 -3.332 1.00 0.00 S ATOM 156 CE MET A 13 6.583 -6.941 -4.770 1.00 0.00 C ATOM 0 H MET A 13 6.695 -4.041 -0.925 1.00 0.00 H new ATOM 0 HA MET A 13 8.902 -5.676 -0.103 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.023 -4.741 -2.863 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.144 -6.047 -2.533 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.075 -6.965 -1.093 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.167 -5.965 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.648 -7.402 -5.090 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.404 -5.896 -4.518 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.312 -7.000 -5.578 1.00 0.00 H new ATOM 166 N TYR A 14 9.458 -2.656 -1.191 1.00 0.00 N ATOM 167 CA TYR A 14 10.481 -1.632 -1.368 1.00 0.00 C ATOM 168 C TYR A 14 10.031 -0.303 -0.770 1.00 0.00 C ATOM 169 O TYR A 14 8.912 0.150 -1.009 1.00 0.00 O ATOM 170 CB TYR A 14 10.803 -1.454 -2.853 1.00 0.00 C ATOM 171 CG TYR A 14 10.637 -2.718 -3.665 1.00 0.00 C ATOM 172 CD1 TYR A 14 11.548 -3.761 -3.556 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.569 -2.870 -4.541 1.00 0.00 C ATOM 174 CE1 TYR A 14 11.402 -4.918 -4.296 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.414 -4.024 -5.284 1.00 0.00 C ATOM 176 CZ TYR A 14 10.332 -5.045 -5.158 1.00 0.00 C ATOM 177 OH TYR A 14 10.182 -6.196 -5.898 1.00 0.00 O ATOM 0 H TYR A 14 8.500 -2.311 -1.257 1.00 0.00 H new ATOM 0 HA TYR A 14 11.380 -1.958 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.156 -0.680 -3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.829 -1.100 -2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.385 -3.665 -2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.848 -2.072 -4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.121 -5.718 -4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.578 -4.126 -5.960 1.00 0.00 H new ATOM 0 HH TYR A 14 9.378 -6.125 -6.454 1.00 0.00 H new ATOM 187 N GLN A 15 10.913 0.317 0.008 1.00 0.00 N ATOM 188 CA GLN A 15 10.607 1.594 0.641 1.00 0.00 C ATOM 189 C GLN A 15 10.110 2.606 -0.386 1.00 0.00 C ATOM 190 O GLN A 15 10.618 2.668 -1.507 1.00 0.00 O ATOM 191 CB GLN A 15 11.843 2.142 1.357 1.00 0.00 C ATOM 192 CG GLN A 15 11.580 3.423 2.131 1.00 0.00 C ATOM 193 CD GLN A 15 11.690 4.662 1.264 1.00 0.00 C ATOM 194 OE1 GLN A 15 10.788 5.501 1.243 1.00 0.00 O ATOM 195 NE2 GLN A 15 12.798 4.784 0.542 1.00 0.00 N ATOM 0 H GLN A 15 11.844 -0.044 0.215 1.00 0.00 H new ATOM 0 HA GLN A 15 9.816 1.427 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.221 1.384 2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.627 2.326 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.584 3.379 2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.289 3.497 2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 15 13.520 4.065 0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.927 5.597 -0.060 1.00 0.00 H new ATOM 204 N TYR A 16 9.115 3.396 0.001 1.00 0.00 N ATOM 205 CA TYR A 16 8.548 4.403 -0.887 1.00 0.00 C ATOM 206 C TYR A 16 8.665 5.796 -0.277 1.00 0.00 C ATOM 207 O TYR A 16 8.410 5.989 0.912 1.00 0.00 O ATOM 208 CB TYR A 16 7.081 4.085 -1.182 1.00 0.00 C ATOM 209 CG TYR A 16 6.457 5.002 -2.209 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.670 4.804 -3.568 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.654 6.067 -1.821 1.00 0.00 C ATOM 212 CE1 TYR A 16 6.103 5.640 -4.510 1.00 0.00 C ATOM 213 CE2 TYR A 16 5.081 6.908 -2.756 1.00 0.00 C ATOM 214 CZ TYR A 16 5.309 6.690 -4.099 1.00 0.00 C ATOM 215 OH TYR A 16 4.741 7.525 -5.034 1.00 0.00 O ATOM 0 H TYR A 16 8.684 3.358 0.925 1.00 0.00 H new ATOM 0 HA TYR A 16 9.112 4.386 -1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.005 3.056 -1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.511 4.150 -0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.290 3.982 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.474 6.241 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.280 5.472 -5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.458 7.731 -2.437 1.00 0.00 H new ATOM 0 HH TYR A 16 4.474 8.364 -4.604 1.00 0.00 H new ATOM 225 N ARG A 17 9.052 6.765 -1.101 1.00 0.00 N ATOM 226 CA ARG A 17 9.204 8.141 -0.644 1.00 0.00 C ATOM 227 C ARG A 17 8.172 9.050 -1.303 1.00 0.00 C ATOM 228 O ARG A 17 8.407 9.631 -2.363 1.00 0.00 O ATOM 229 CB ARG A 17 10.615 8.649 -0.947 1.00 0.00 C ATOM 230 CG ARG A 17 11.646 8.241 0.092 1.00 0.00 C ATOM 231 CD ARG A 17 12.851 9.169 0.075 1.00 0.00 C ATOM 232 NE ARG A 17 13.879 8.714 -0.857 1.00 0.00 N ATOM 233 CZ ARG A 17 14.705 7.705 -0.605 1.00 0.00 C ATOM 234 NH1 ARG A 17 14.625 7.049 0.544 1.00 0.00 N ATOM 235 NH2 ARG A 17 15.614 7.350 -1.504 1.00 0.00 N ATOM 0 H ARG A 17 9.266 6.622 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 17 9.043 8.159 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.926 8.273 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.593 9.737 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.191 8.252 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.970 7.218 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.531 10.174 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.273 9.233 1.078 1.00 0.00 H new ATOM 0 HE ARG A 17 13.968 9.198 -1.751 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.928 7.319 1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.261 6.275 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.679 7.852 -2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.248 6.575 -1.310 1.00 0.00 H new ATOM 249 N PRO A 18 7.000 9.178 -0.663 1.00 0.00 N ATOM 250 CA PRO A 18 5.908 10.014 -1.170 1.00 0.00 C ATOM 251 C PRO A 18 6.230 11.503 -1.082 1.00 0.00 C ATOM 252 O PRO A 18 6.815 11.963 -0.102 1.00 0.00 O ATOM 253 CB PRO A 18 4.737 9.665 -0.248 1.00 0.00 C ATOM 254 CG PRO A 18 5.375 9.196 1.014 1.00 0.00 C ATOM 255 CD PRO A 18 6.651 8.515 0.605 1.00 0.00 C ATOM 0 HA PRO A 18 5.708 9.828 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.100 10.532 -0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.107 8.890 -0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.576 10.032 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.720 8.509 1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.433 8.643 1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.509 7.442 0.472 1.00 0.00 H new ATOM 263 N GLN A 19 5.843 12.248 -2.112 1.00 0.00 N ATOM 264 CA GLN A 19 6.091 13.685 -2.150 1.00 0.00 C ATOM 265 C GLN A 19 4.850 14.463 -1.725 1.00 0.00 C ATOM 266 O GLN A 19 4.940 15.621 -1.319 1.00 0.00 O ATOM 267 CB GLN A 19 6.521 14.113 -3.554 1.00 0.00 C ATOM 268 CG GLN A 19 6.077 15.519 -3.924 1.00 0.00 C ATOM 269 CD GLN A 19 6.895 16.110 -5.056 1.00 0.00 C ATOM 270 OE1 GLN A 19 7.261 15.412 -6.002 1.00 0.00 O ATOM 271 NE2 GLN A 19 7.186 17.402 -4.965 1.00 0.00 N ATOM 0 H GLN A 19 5.357 11.881 -2.930 1.00 0.00 H new ATOM 0 HA GLN A 19 6.895 13.908 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.607 14.053 -3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.114 13.409 -4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.026 15.500 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.156 16.163 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.862 17.942 -4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.734 17.854 -5.697 1.00 0.00 H new ATOM 280 N ASN A 20 3.692 13.819 -1.824 1.00 0.00 N ATOM 281 CA ASN A 20 2.431 14.451 -1.451 1.00 0.00 C ATOM 282 C ASN A 20 1.741 13.673 -0.335 1.00 0.00 C ATOM 283 O ASN A 20 1.681 12.445 -0.368 1.00 0.00 O ATOM 284 CB ASN A 20 1.507 14.549 -2.667 1.00 0.00 C ATOM 285 CG ASN A 20 2.246 14.969 -3.923 1.00 0.00 C ATOM 286 OD1 ASN A 20 2.829 16.051 -3.981 1.00 0.00 O ATOM 287 ND2 ASN A 20 2.224 14.111 -4.936 1.00 0.00 N ATOM 0 H ASN A 20 3.600 12.860 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 20 2.650 15.455 -1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.029 13.584 -2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.713 15.266 -2.459 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.704 14.338 -5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.728 13.225 -4.843 1.00 0.00 H new ATOM 294 N GLU A 21 1.223 14.399 0.651 1.00 0.00 N ATOM 295 CA GLU A 21 0.537 13.776 1.777 1.00 0.00 C ATOM 296 C GLU A 21 -0.454 12.721 1.295 1.00 0.00 C ATOM 297 O GLU A 21 -0.566 11.644 1.882 1.00 0.00 O ATOM 298 CB GLU A 21 -0.191 14.834 2.608 1.00 0.00 C ATOM 299 CG GLU A 21 0.727 15.627 3.524 1.00 0.00 C ATOM 300 CD GLU A 21 -0.004 16.721 4.278 1.00 0.00 C ATOM 301 OE1 GLU A 21 -0.473 17.678 3.627 1.00 0.00 O ATOM 302 OE2 GLU A 21 -0.107 16.620 5.518 1.00 0.00 O ATOM 0 H GLU A 21 1.265 15.417 0.693 1.00 0.00 H new ATOM 0 HA GLU A 21 1.286 13.287 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.703 15.523 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.958 14.347 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.195 14.949 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.528 16.071 2.933 1.00 0.00 H new ATOM 309 N ASP A 22 -1.172 13.039 0.224 1.00 0.00 N ATOM 310 CA ASP A 22 -2.155 12.120 -0.339 1.00 0.00 C ATOM 311 C ASP A 22 -1.596 10.702 -0.406 1.00 0.00 C ATOM 312 O ASP A 22 -2.265 9.743 -0.021 1.00 0.00 O ATOM 313 CB ASP A 22 -2.576 12.581 -1.735 1.00 0.00 C ATOM 314 CG ASP A 22 -3.614 13.686 -1.690 1.00 0.00 C ATOM 315 OD1 ASP A 22 -4.394 13.728 -0.716 1.00 0.00 O ATOM 316 OD2 ASP A 22 -3.646 14.508 -2.630 1.00 0.00 O ATOM 0 H ASP A 22 -1.092 13.927 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.029 12.118 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.699 12.932 -2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.976 11.732 -2.290 1.00 0.00 H new ATOM 321 N GLU A 23 -0.367 10.578 -0.897 1.00 0.00 N ATOM 322 CA GLU A 23 0.280 9.276 -1.016 1.00 0.00 C ATOM 323 C GLU A 23 0.758 8.780 0.346 1.00 0.00 C ATOM 324 O GLU A 23 1.204 9.565 1.184 1.00 0.00 O ATOM 325 CB GLU A 23 1.460 9.355 -1.986 1.00 0.00 C ATOM 326 CG GLU A 23 1.087 9.890 -3.358 1.00 0.00 C ATOM 327 CD GLU A 23 2.186 9.687 -4.382 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.316 10.161 -4.141 1.00 0.00 O ATOM 329 OE2 GLU A 23 1.916 9.055 -5.425 1.00 0.00 O ATOM 0 H GLU A 23 0.200 11.362 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.453 8.568 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.232 9.993 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.894 8.361 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.179 9.395 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.860 10.953 -3.280 1.00 0.00 H new ATOM 336 N LEU A 24 0.661 7.473 0.560 1.00 0.00 N ATOM 337 CA LEU A 24 1.082 6.870 1.820 1.00 0.00 C ATOM 338 C LEU A 24 2.514 6.354 1.724 1.00 0.00 C ATOM 339 O LEU A 24 2.878 5.680 0.760 1.00 0.00 O ATOM 340 CB LEU A 24 0.140 5.727 2.202 1.00 0.00 C ATOM 341 CG LEU A 24 0.246 5.223 3.642 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.203 6.300 4.618 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.578 3.957 3.825 1.00 0.00 C ATOM 0 H LEU A 24 0.294 6.810 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 24 1.043 7.638 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.885 6.054 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.327 4.889 1.530 1.00 0.00 H new ATOM 0 HG LEU A 24 1.290 4.986 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.121 5.924 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.429 7.181 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.239 6.568 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.491 3.612 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.623 4.168 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.210 3.183 3.151 1.00 0.00 H new ATOM 355 N GLU A 25 3.322 6.673 2.730 1.00 0.00 N ATOM 356 CA GLU A 25 4.714 6.239 2.759 1.00 0.00 C ATOM 357 C GLU A 25 4.818 4.771 3.160 1.00 0.00 C ATOM 358 O GLU A 25 3.988 4.261 3.914 1.00 0.00 O ATOM 359 CB GLU A 25 5.520 7.103 3.731 1.00 0.00 C ATOM 360 CG GLU A 25 7.024 6.995 3.538 1.00 0.00 C ATOM 361 CD GLU A 25 7.780 8.126 4.207 1.00 0.00 C ATOM 362 OE1 GLU A 25 7.674 9.275 3.727 1.00 0.00 O ATOM 363 OE2 GLU A 25 8.479 7.864 5.208 1.00 0.00 O ATOM 0 H GLU A 25 3.037 7.230 3.535 1.00 0.00 H new ATOM 0 HA GLU A 25 5.125 6.353 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.221 8.144 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.272 6.814 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.371 6.043 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.251 6.992 2.472 1.00 0.00 H new ATOM 370 N LEU A 26 5.843 4.096 2.651 1.00 0.00 N ATOM 371 CA LEU A 26 6.057 2.685 2.955 1.00 0.00 C ATOM 372 C LEU A 26 7.531 2.404 3.224 1.00 0.00 C ATOM 373 O LEU A 26 8.407 3.143 2.774 1.00 0.00 O ATOM 374 CB LEU A 26 5.562 1.813 1.799 1.00 0.00 C ATOM 375 CG LEU A 26 4.135 2.081 1.319 1.00 0.00 C ATOM 376 CD1 LEU A 26 3.886 1.403 -0.019 1.00 0.00 C ATOM 377 CD2 LEU A 26 3.126 1.608 2.355 1.00 0.00 C ATOM 0 H LEU A 26 6.539 4.503 2.026 1.00 0.00 H new ATOM 0 HA LEU A 26 5.490 2.442 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.239 1.945 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.632 0.768 2.103 1.00 0.00 H new ATOM 0 HG LEU A 26 4.012 3.156 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.866 1.605 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.586 1.790 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.027 0.327 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.116 1.807 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.248 0.538 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.290 2.140 3.292 1.00 0.00 H new ATOM 389 N ARG A 27 7.799 1.330 3.960 1.00 0.00 N ATOM 390 CA ARG A 27 9.167 0.950 4.288 1.00 0.00 C ATOM 391 C ARG A 27 9.388 -0.543 4.059 1.00 0.00 C ATOM 392 O ARG A 27 8.560 -1.368 4.445 1.00 0.00 O ATOM 393 CB ARG A 27 9.483 1.305 5.742 1.00 0.00 C ATOM 394 CG ARG A 27 10.836 0.797 6.214 1.00 0.00 C ATOM 395 CD ARG A 27 10.912 0.743 7.732 1.00 0.00 C ATOM 396 NE ARG A 27 12.284 0.878 8.216 1.00 0.00 N ATOM 397 CZ ARG A 27 12.594 1.144 9.480 1.00 0.00 C ATOM 398 NH1 ARG A 27 11.635 1.301 10.382 1.00 0.00 N ATOM 399 NH2 ARG A 27 13.865 1.252 9.843 1.00 0.00 N ATOM 0 H ARG A 27 7.086 0.708 4.340 1.00 0.00 H new ATOM 0 HA ARG A 27 9.838 1.504 3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.451 2.388 5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.705 0.893 6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.016 -0.197 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.623 1.447 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.299 1.539 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.495 -0.201 8.083 1.00 0.00 H new ATOM 0 HE ARG A 27 13.045 0.762 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.657 1.218 10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.876 1.505 11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.605 1.131 9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.103 1.456 10.814 1.00 0.00 H new ATOM 413 N GLU A 28 10.508 -0.880 3.428 1.00 0.00 N ATOM 414 CA GLU A 28 10.835 -2.273 3.147 1.00 0.00 C ATOM 415 C GLU A 28 10.657 -3.136 4.392 1.00 0.00 C ATOM 416 O GLU A 28 11.434 -3.043 5.342 1.00 0.00 O ATOM 417 CB GLU A 28 12.272 -2.389 2.634 1.00 0.00 C ATOM 418 CG GLU A 28 12.711 -3.820 2.372 1.00 0.00 C ATOM 419 CD GLU A 28 14.218 -3.981 2.391 1.00 0.00 C ATOM 420 OE1 GLU A 28 14.823 -3.781 3.466 1.00 0.00 O ATOM 421 OE2 GLU A 28 14.794 -4.307 1.332 1.00 0.00 O ATOM 0 H GLU A 28 11.203 -0.209 3.102 1.00 0.00 H new ATOM 0 HA GLU A 28 10.152 -2.631 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.368 -1.814 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.946 -1.939 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.270 -4.475 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.327 -4.142 1.404 1.00 0.00 H new ATOM 428 N GLY A 29 9.626 -3.977 4.381 1.00 0.00 N ATOM 429 CA GLY A 29 9.363 -4.844 5.514 1.00 0.00 C ATOM 430 C GLY A 29 8.098 -4.461 6.256 1.00 0.00 C ATOM 431 O GLY A 29 7.408 -5.320 6.806 1.00 0.00 O ATOM 0 H GLY A 29 8.969 -4.073 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.280 -5.874 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.209 -4.806 6.201 1.00 0.00 H new ATOM 435 N ASP A 30 7.792 -3.168 6.273 1.00 0.00 N ATOM 436 CA ASP A 30 6.601 -2.673 6.953 1.00 0.00 C ATOM 437 C ASP A 30 5.336 -3.247 6.322 1.00 0.00 C ATOM 438 O ASP A 30 5.253 -3.398 5.103 1.00 0.00 O ATOM 439 CB ASP A 30 6.560 -1.145 6.908 1.00 0.00 C ATOM 440 CG ASP A 30 7.303 -0.511 8.068 1.00 0.00 C ATOM 441 OD1 ASP A 30 8.131 -1.207 8.694 1.00 0.00 O ATOM 442 OD2 ASP A 30 7.058 0.680 8.349 1.00 0.00 O ATOM 0 H ASP A 30 8.352 -2.444 5.824 1.00 0.00 H new ATOM 0 HA ASP A 30 6.646 -2.997 7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.995 -0.800 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.522 -0.812 6.920 1.00 0.00 H new ATOM 447 N ARG A 31 4.355 -3.566 7.160 1.00 0.00 N ATOM 448 CA ARG A 31 3.096 -4.125 6.684 1.00 0.00 C ATOM 449 C ARG A 31 2.140 -3.019 6.248 1.00 0.00 C ATOM 450 O ARG A 31 2.197 -1.899 6.756 1.00 0.00 O ATOM 451 CB ARG A 31 2.445 -4.975 7.778 1.00 0.00 C ATOM 452 CG ARG A 31 2.863 -6.436 7.743 1.00 0.00 C ATOM 453 CD ARG A 31 4.369 -6.581 7.592 1.00 0.00 C ATOM 454 NE ARG A 31 5.081 -6.200 8.810 1.00 0.00 N ATOM 455 CZ ARG A 31 5.040 -6.904 9.935 1.00 0.00 C ATOM 456 NH1 ARG A 31 4.327 -8.020 9.998 1.00 0.00 N ATOM 457 NH2 ARG A 31 5.715 -6.493 11.001 1.00 0.00 N ATOM 0 H ARG A 31 4.408 -3.447 8.172 1.00 0.00 H new ATOM 0 HA ARG A 31 3.311 -4.756 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.700 -4.556 8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.361 -4.913 7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.539 -6.930 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.363 -6.939 6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.610 -7.613 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.711 -5.961 6.763 1.00 0.00 H new ATOM 0 HE ARG A 31 5.640 -5.347 8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.808 -8.340 9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.298 -8.558 10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.266 -5.636 10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.683 -7.034 11.865 1.00 0.00 H new ATOM 471 N VAL A 32 1.261 -3.341 5.304 1.00 0.00 N ATOM 472 CA VAL A 32 0.292 -2.375 4.800 1.00 0.00 C ATOM 473 C VAL A 32 -1.123 -2.940 4.848 1.00 0.00 C ATOM 474 O VAL A 32 -1.334 -4.133 4.630 1.00 0.00 O ATOM 475 CB VAL A 32 0.617 -1.957 3.353 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.124 -0.681 2.987 1.00 0.00 C ATOM 477 CG2 VAL A 32 2.117 -1.783 3.174 1.00 0.00 C ATOM 0 H VAL A 32 1.200 -4.263 4.873 1.00 0.00 H new ATOM 0 HA VAL A 32 0.353 -1.499 5.446 1.00 0.00 H new ATOM 0 HB VAL A 32 0.283 -2.747 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.118 -0.401 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.198 -0.846 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.176 0.120 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.329 -1.488 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.478 -1.012 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.621 -2.724 3.392 1.00 0.00 H new ATOM 487 N ASP A 33 -2.089 -2.075 5.135 1.00 0.00 N ATOM 488 CA ASP A 33 -3.486 -2.487 5.211 1.00 0.00 C ATOM 489 C ASP A 33 -4.279 -1.942 4.027 1.00 0.00 C ATOM 490 O ASP A 33 -4.745 -0.802 4.051 1.00 0.00 O ATOM 491 CB ASP A 33 -4.111 -2.009 6.523 1.00 0.00 C ATOM 492 CG ASP A 33 -3.339 -2.483 7.739 1.00 0.00 C ATOM 493 OD1 ASP A 33 -2.103 -2.632 7.636 1.00 0.00 O ATOM 494 OD2 ASP A 33 -3.970 -2.704 8.793 1.00 0.00 O ATOM 0 H ASP A 33 -1.931 -1.084 5.319 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.520 -3.576 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.154 -0.920 6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.138 -2.369 6.585 1.00 0.00 H new ATOM 499 N VAL A 34 -4.427 -2.762 2.992 1.00 0.00 N ATOM 500 CA VAL A 34 -5.163 -2.363 1.799 1.00 0.00 C ATOM 501 C VAL A 34 -6.666 -2.506 2.006 1.00 0.00 C ATOM 502 O VAL A 34 -7.134 -3.501 2.559 1.00 0.00 O ATOM 503 CB VAL A 34 -4.743 -3.197 0.574 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.777 -3.077 -0.535 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.369 -2.766 0.083 1.00 0.00 C ATOM 0 H VAL A 34 -4.046 -3.708 2.956 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.923 -1.316 1.616 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.686 -4.244 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.463 -3.673 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.740 -3.439 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.870 -2.033 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.088 -3.365 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.397 -1.713 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.637 -2.910 0.878 1.00 0.00 H new ATOM 515 N MET A 35 -7.418 -1.506 1.559 1.00 0.00 N ATOM 516 CA MET A 35 -8.870 -1.522 1.694 1.00 0.00 C ATOM 517 C MET A 35 -9.542 -1.637 0.330 1.00 0.00 C ATOM 518 O MET A 35 -10.413 -2.483 0.126 1.00 0.00 O ATOM 519 CB MET A 35 -9.352 -0.258 2.408 1.00 0.00 C ATOM 520 CG MET A 35 -8.441 0.184 3.543 1.00 0.00 C ATOM 521 SD MET A 35 -8.829 -0.633 5.102 1.00 0.00 S ATOM 522 CE MET A 35 -7.384 -0.213 6.073 1.00 0.00 C ATOM 0 H MET A 35 -7.046 -0.674 1.100 1.00 0.00 H new ATOM 0 HA MET A 35 -9.144 -2.393 2.289 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.433 0.551 1.682 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.353 -0.433 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.405 -0.026 3.275 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.525 1.263 3.672 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.009 -1.106 6.573 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.610 0.188 5.419 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.652 0.535 6.819 1.00 0.00 H new ATOM 532 N GLN A 36 -9.132 -0.781 -0.601 1.00 0.00 N ATOM 533 CA GLN A 36 -9.696 -0.787 -1.945 1.00 0.00 C ATOM 534 C GLN A 36 -8.595 -0.877 -2.997 1.00 0.00 C ATOM 535 O GLN A 36 -7.485 -0.389 -2.789 1.00 0.00 O ATOM 536 CB GLN A 36 -10.536 0.472 -2.175 1.00 0.00 C ATOM 537 CG GLN A 36 -11.244 0.493 -3.519 1.00 0.00 C ATOM 538 CD GLN A 36 -12.623 -0.133 -3.462 1.00 0.00 C ATOM 539 OE1 GLN A 36 -13.314 -0.050 -2.447 1.00 0.00 O ATOM 540 NE2 GLN A 36 -13.032 -0.766 -4.556 1.00 0.00 N ATOM 0 H GLN A 36 -8.412 -0.075 -0.449 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.336 -1.664 -2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.279 0.553 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.891 1.348 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.331 1.523 -3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.638 -0.038 -4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.427 -0.811 -5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.951 -1.207 -4.576 1.00 0.00 H new ATOM 549 N GLN A 37 -8.912 -1.503 -4.126 1.00 0.00 N ATOM 550 CA GLN A 37 -7.949 -1.657 -5.209 1.00 0.00 C ATOM 551 C GLN A 37 -8.399 -0.895 -6.451 1.00 0.00 C ATOM 552 O GLN A 37 -9.577 -0.918 -6.812 1.00 0.00 O ATOM 553 CB GLN A 37 -7.760 -3.137 -5.545 1.00 0.00 C ATOM 554 CG GLN A 37 -7.618 -4.026 -4.320 1.00 0.00 C ATOM 555 CD GLN A 37 -7.056 -5.394 -4.653 1.00 0.00 C ATOM 556 OE1 GLN A 37 -7.189 -5.876 -5.778 1.00 0.00 O ATOM 557 NE2 GLN A 37 -6.422 -6.028 -3.673 1.00 0.00 N ATOM 0 H GLN A 37 -9.828 -1.911 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.997 -1.243 -4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.611 -3.479 -6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.874 -3.249 -6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.968 -3.537 -3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.593 -4.143 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.335 -5.591 -2.755 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.022 -6.952 -3.838 1.00 0.00 H new ATOM 566 N CYS A 38 -7.456 -0.222 -7.101 1.00 0.00 N ATOM 567 CA CYS A 38 -7.757 0.548 -8.302 1.00 0.00 C ATOM 568 C CYS A 38 -7.646 -0.324 -9.549 1.00 0.00 C ATOM 569 O CYS A 38 -7.103 -1.427 -9.500 1.00 0.00 O ATOM 570 CB CYS A 38 -6.811 1.745 -8.416 1.00 0.00 C ATOM 571 SG CYS A 38 -7.427 3.075 -9.475 1.00 0.00 S ATOM 0 H CYS A 38 -6.477 -0.194 -6.816 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.782 0.910 -8.224 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.627 2.145 -7.419 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.852 1.401 -8.804 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.056 2.860 -10.702 1.00 0.00 H new ATOM 577 N ASP A 39 -8.165 0.179 -10.664 1.00 0.00 N ATOM 578 CA ASP A 39 -8.125 -0.554 -11.924 1.00 0.00 C ATOM 579 C ASP A 39 -6.899 -0.163 -12.742 1.00 0.00 C ATOM 580 O ASP A 39 -6.728 -0.610 -13.876 1.00 0.00 O ATOM 581 CB ASP A 39 -9.397 -0.292 -12.732 1.00 0.00 C ATOM 582 CG ASP A 39 -9.748 -1.446 -13.650 1.00 0.00 C ATOM 583 OD1 ASP A 39 -9.762 -2.600 -13.173 1.00 0.00 O ATOM 584 OD2 ASP A 39 -10.007 -1.195 -14.846 1.00 0.00 O ATOM 0 H ASP A 39 -8.618 1.091 -10.721 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.062 -1.618 -11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.227 -0.110 -12.049 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.267 0.613 -13.325 1.00 0.00 H new ATOM 589 N ASP A 40 -6.048 0.675 -12.159 1.00 0.00 N ATOM 590 CA ASP A 40 -4.837 1.127 -12.833 1.00 0.00 C ATOM 591 C ASP A 40 -3.626 0.321 -12.374 1.00 0.00 C ATOM 592 O ASP A 40 -2.673 0.128 -13.128 1.00 0.00 O ATOM 593 CB ASP A 40 -4.605 2.615 -12.568 1.00 0.00 C ATOM 594 CG ASP A 40 -5.740 3.479 -13.081 1.00 0.00 C ATOM 595 OD1 ASP A 40 -6.909 3.170 -12.768 1.00 0.00 O ATOM 596 OD2 ASP A 40 -5.461 4.463 -13.797 1.00 0.00 O ATOM 0 H ASP A 40 -6.175 1.055 -11.221 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.968 0.973 -13.904 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.486 2.776 -11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.674 2.925 -13.042 1.00 0.00 H new ATOM 601 N GLY A 41 -3.670 -0.147 -11.130 1.00 0.00 N ATOM 602 CA GLY A 41 -2.570 -0.926 -10.591 1.00 0.00 C ATOM 603 C GLY A 41 -2.105 -0.415 -9.242 1.00 0.00 C ATOM 604 O GLY A 41 -1.080 -0.857 -8.724 1.00 0.00 O ATOM 0 H GLY A 41 -4.447 -0.001 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.879 -1.967 -10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.735 -0.904 -11.292 1.00 0.00 H new ATOM 608 N TRP A 42 -2.858 0.519 -8.673 1.00 0.00 N ATOM 609 CA TRP A 42 -2.515 1.092 -7.376 1.00 0.00 C ATOM 610 C TRP A 42 -3.471 0.600 -6.294 1.00 0.00 C ATOM 611 O TRP A 42 -4.578 0.149 -6.589 1.00 0.00 O ATOM 612 CB TRP A 42 -2.547 2.620 -7.446 1.00 0.00 C ATOM 613 CG TRP A 42 -1.304 3.213 -8.037 1.00 0.00 C ATOM 614 CD1 TRP A 42 -0.772 2.945 -9.265 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.437 4.173 -7.422 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.374 3.681 -9.452 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.600 4.443 -8.336 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.438 4.833 -6.190 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.625 5.342 -8.054 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.580 5.725 -5.912 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.600 5.974 -6.841 1.00 0.00 C ATOM 0 H TRP A 42 -3.710 0.896 -9.089 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.507 0.768 -7.118 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.407 2.932 -8.039 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.690 3.020 -6.442 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.190 2.256 -9.984 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.961 3.663 -10.286 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.220 4.649 -5.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.412 5.534 -8.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.590 6.239 -4.962 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.381 6.678 -6.594 1.00 0.00 H new ATOM 632 N PHE A 43 -3.036 0.691 -5.042 1.00 0.00 N ATOM 633 CA PHE A 43 -3.854 0.254 -3.916 1.00 0.00 C ATOM 634 C PHE A 43 -4.098 1.404 -2.943 1.00 0.00 C ATOM 635 O PHE A 43 -3.248 2.278 -2.771 1.00 0.00 O ATOM 636 CB PHE A 43 -3.177 -0.910 -3.189 1.00 0.00 C ATOM 637 CG PHE A 43 -3.072 -2.156 -4.020 1.00 0.00 C ATOM 638 CD1 PHE A 43 -4.185 -2.671 -4.665 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.859 -2.813 -4.157 1.00 0.00 C ATOM 640 CE1 PHE A 43 -4.091 -3.818 -5.431 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.759 -3.959 -4.922 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.876 -4.463 -5.559 1.00 0.00 C ATOM 0 H PHE A 43 -2.123 1.063 -4.781 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.816 -0.080 -4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.178 -0.603 -2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.736 -1.135 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.137 -2.170 -4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.982 -2.425 -3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.966 -4.209 -5.929 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.808 -4.461 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.800 -5.360 -6.156 1.00 0.00 H new ATOM 652 N VAL A 44 -5.266 1.396 -2.308 1.00 0.00 N ATOM 653 CA VAL A 44 -5.623 2.437 -1.351 1.00 0.00 C ATOM 654 C VAL A 44 -5.968 1.839 0.008 1.00 0.00 C ATOM 655 O VAL A 44 -6.938 1.095 0.143 1.00 0.00 O ATOM 656 CB VAL A 44 -6.817 3.272 -1.851 1.00 0.00 C ATOM 657 CG1 VAL A 44 -7.177 4.348 -0.838 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.506 3.887 -3.207 1.00 0.00 C ATOM 0 H VAL A 44 -5.981 0.680 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.753 3.086 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.677 2.612 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.022 4.928 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.445 3.881 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.322 5.008 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.360 4.473 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.633 4.534 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.302 3.095 -3.927 1.00 0.00 H new ATOM 668 N GLY A 45 -5.165 2.171 1.015 1.00 0.00 N ATOM 669 CA GLY A 45 -5.402 1.659 2.352 1.00 0.00 C ATOM 670 C GLY A 45 -4.750 2.510 3.423 1.00 0.00 C ATOM 671 O GLY A 45 -4.734 3.737 3.328 1.00 0.00 O ATOM 0 H GLY A 45 -4.355 2.785 0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.476 1.611 2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.021 0.640 2.420 1.00 0.00 H new ATOM 675 N VAL A 46 -4.210 1.858 4.448 1.00 0.00 N ATOM 676 CA VAL A 46 -3.553 2.562 5.542 1.00 0.00 C ATOM 677 C VAL A 46 -2.241 1.886 5.923 1.00 0.00 C ATOM 678 O VAL A 46 -2.095 0.671 5.787 1.00 0.00 O ATOM 679 CB VAL A 46 -4.459 2.637 6.786 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.642 2.976 8.023 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.570 3.655 6.575 1.00 0.00 C ATOM 0 H VAL A 46 -4.215 0.842 4.543 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.348 3.573 5.189 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.917 1.660 6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.299 3.025 8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.887 2.206 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.154 3.940 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.200 3.695 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.134 4.638 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.173 3.363 5.715 1.00 0.00 H new ATOM 691 N SER A 47 -1.289 2.680 6.402 1.00 0.00 N ATOM 692 CA SER A 47 0.014 2.159 6.799 1.00 0.00 C ATOM 693 C SER A 47 -0.040 1.581 8.211 1.00 0.00 C ATOM 694 O SER A 47 -1.050 1.703 8.904 1.00 0.00 O ATOM 695 CB SER A 47 1.072 3.261 6.727 1.00 0.00 C ATOM 696 OG SER A 47 2.375 2.729 6.893 1.00 0.00 O ATOM 0 H SER A 47 -1.395 3.687 6.525 1.00 0.00 H new ATOM 0 HA SER A 47 0.285 1.361 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.004 3.772 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.879 4.006 7.499 1.00 0.00 H new ATOM 0 HG SER A 47 3.033 3.453 6.841 1.00 0.00 H new ATOM 702 N ARG A 48 1.053 0.952 8.628 1.00 0.00 N ATOM 703 CA ARG A 48 1.131 0.355 9.955 1.00 0.00 C ATOM 704 C ARG A 48 2.174 1.067 10.812 1.00 0.00 C ATOM 705 O ARG A 48 2.422 0.681 11.955 1.00 0.00 O ATOM 706 CB ARG A 48 1.473 -1.133 9.849 1.00 0.00 C ATOM 707 CG ARG A 48 0.371 -1.967 9.218 1.00 0.00 C ATOM 708 CD ARG A 48 -0.692 -2.348 10.237 1.00 0.00 C ATOM 709 NE ARG A 48 -1.375 -3.588 9.879 1.00 0.00 N ATOM 710 CZ ARG A 48 -2.161 -4.261 10.711 1.00 0.00 C ATOM 711 NH1 ARG A 48 -2.364 -3.816 11.944 1.00 0.00 N ATOM 712 NH2 ARG A 48 -2.748 -5.382 10.311 1.00 0.00 N ATOM 0 H ARG A 48 1.897 0.843 8.066 1.00 0.00 H new ATOM 0 HA ARG A 48 0.157 0.465 10.432 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.384 -1.247 9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.685 -1.520 10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.089 -1.408 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.800 -2.870 8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.230 -2.459 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.422 -1.543 10.318 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.241 -3.958 8.938 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.916 -2.954 12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.968 -4.335 12.581 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.596 -5.727 9.363 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.352 -5.898 10.951 1.00 0.00 H new ATOM 726 N ARG A 49 2.781 2.108 10.252 1.00 0.00 N ATOM 727 CA ARG A 49 3.798 2.873 10.964 1.00 0.00 C ATOM 728 C ARG A 49 3.259 4.239 11.379 1.00 0.00 C ATOM 729 O ARG A 49 3.462 4.682 12.510 1.00 0.00 O ATOM 730 CB ARG A 49 5.041 3.048 10.089 1.00 0.00 C ATOM 731 CG ARG A 49 6.095 3.954 10.703 1.00 0.00 C ATOM 732 CD ARG A 49 7.341 4.027 9.834 1.00 0.00 C ATOM 733 NE ARG A 49 8.257 5.074 10.278 1.00 0.00 N ATOM 734 CZ ARG A 49 9.156 5.648 9.487 1.00 0.00 C ATOM 735 NH1 ARG A 49 9.259 5.279 8.217 1.00 0.00 N ATOM 736 NH2 ARG A 49 9.955 6.594 9.964 1.00 0.00 N ATOM 0 H ARG A 49 2.586 2.441 9.308 1.00 0.00 H new ATOM 0 HA ARG A 49 4.070 2.320 11.863 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.482 2.069 9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.741 3.456 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.684 4.955 10.836 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.362 3.585 11.693 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.853 3.065 9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.051 4.213 8.800 1.00 0.00 H new ATOM 0 HE ARG A 49 8.203 5.381 11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.647 4.553 7.846 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.950 5.722 7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.879 6.881 10.940 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.645 7.034 9.355 1.00 0.00 H new ATOM 750 N THR A 50 2.571 4.904 10.456 1.00 0.00 N ATOM 751 CA THR A 50 2.005 6.220 10.724 1.00 0.00 C ATOM 752 C THR A 50 0.493 6.142 10.901 1.00 0.00 C ATOM 753 O THR A 50 -0.126 7.061 11.436 1.00 0.00 O ATOM 754 CB THR A 50 2.327 7.212 9.591 1.00 0.00 C ATOM 755 OG1 THR A 50 1.918 6.667 8.331 1.00 0.00 O ATOM 756 CG2 THR A 50 3.815 7.527 9.554 1.00 0.00 C ATOM 0 H THR A 50 2.392 4.552 9.515 1.00 0.00 H new ATOM 0 HA THR A 50 2.459 6.577 11.649 1.00 0.00 H new ATOM 0 HB THR A 50 1.781 8.136 9.781 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.125 7.305 7.616 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.018 8.230 8.746 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.117 7.969 10.503 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.377 6.608 9.386 1.00 0.00 H new ATOM 764 N GLN A 51 -0.095 5.038 10.450 1.00 0.00 N ATOM 765 CA GLN A 51 -1.535 4.841 10.560 1.00 0.00 C ATOM 766 C GLN A 51 -2.290 5.856 9.708 1.00 0.00 C ATOM 767 O GLN A 51 -3.428 6.215 10.012 1.00 0.00 O ATOM 768 CB GLN A 51 -1.977 4.955 12.020 1.00 0.00 C ATOM 769 CG GLN A 51 -1.163 4.093 12.971 1.00 0.00 C ATOM 770 CD GLN A 51 -1.597 2.641 12.960 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.223 2.175 12.007 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.266 1.915 14.021 1.00 0.00 N ATOM 0 H GLN A 51 0.404 4.267 10.005 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.768 3.841 10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.903 5.996 12.333 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.027 4.673 12.096 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.109 4.155 12.700 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.255 4.488 13.983 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.747 2.341 14.789 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.531 0.931 14.069 1.00 0.00 H new ATOM 781 N LYS A 52 -1.649 6.316 8.639 1.00 0.00 N ATOM 782 CA LYS A 52 -2.259 7.290 7.740 1.00 0.00 C ATOM 783 C LYS A 52 -3.008 6.592 6.610 1.00 0.00 C ATOM 784 O LYS A 52 -2.801 5.405 6.354 1.00 0.00 O ATOM 785 CB LYS A 52 -1.190 8.219 7.161 1.00 0.00 C ATOM 786 CG LYS A 52 -0.545 9.124 8.196 1.00 0.00 C ATOM 787 CD LYS A 52 -1.470 10.262 8.595 1.00 0.00 C ATOM 788 CE LYS A 52 -0.872 11.100 9.715 1.00 0.00 C ATOM 789 NZ LYS A 52 -1.914 11.869 10.450 1.00 0.00 N ATOM 0 H LYS A 52 -0.707 6.030 8.373 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.973 7.881 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.416 7.617 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.639 8.835 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.283 8.540 9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.384 9.532 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.664 10.895 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.430 9.857 8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.342 10.450 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.137 11.790 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.466 12.427 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.403 12.508 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.601 11.210 10.868 1.00 0.00 H new ATOM 803 N PHE A 53 -3.878 7.336 5.934 1.00 0.00 N ATOM 804 CA PHE A 53 -4.657 6.788 4.830 1.00 0.00 C ATOM 805 C PHE A 53 -4.378 7.550 3.538 1.00 0.00 C ATOM 806 O PHE A 53 -4.450 8.777 3.500 1.00 0.00 O ATOM 807 CB PHE A 53 -6.151 6.844 5.156 1.00 0.00 C ATOM 808 CG PHE A 53 -6.999 6.034 4.217 1.00 0.00 C ATOM 809 CD1 PHE A 53 -7.086 6.370 2.876 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.710 4.937 4.676 1.00 0.00 C ATOM 811 CE1 PHE A 53 -7.867 5.628 2.010 1.00 0.00 C ATOM 812 CE2 PHE A 53 -8.492 4.190 3.815 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.569 4.536 2.480 1.00 0.00 C ATOM 0 H PHE A 53 -4.061 8.320 6.132 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.361 5.748 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.307 6.486 6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.482 7.882 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.537 7.222 2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.653 4.662 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.928 5.902 0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.042 3.337 4.185 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.178 3.953 1.805 1.00 0.00 H new ATOM 823 N GLY A 54 -4.059 6.811 2.479 1.00 0.00 N ATOM 824 CA GLY A 54 -3.773 7.432 1.199 1.00 0.00 C ATOM 825 C GLY A 54 -3.688 6.424 0.071 1.00 0.00 C ATOM 826 O GLY A 54 -4.249 5.331 0.161 1.00 0.00 O ATOM 0 H GLY A 54 -3.994 5.793 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.550 8.162 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.832 7.978 1.266 1.00 0.00 H new ATOM 830 N THR A 55 -2.986 6.790 -0.996 1.00 0.00 N ATOM 831 CA THR A 55 -2.831 5.911 -2.148 1.00 0.00 C ATOM 832 C THR A 55 -1.359 5.667 -2.461 1.00 0.00 C ATOM 833 O THR A 55 -0.546 6.591 -2.429 1.00 0.00 O ATOM 834 CB THR A 55 -3.520 6.494 -3.397 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.108 5.775 -4.565 1.00 0.00 O ATOM 836 CG2 THR A 55 -3.186 7.969 -3.559 1.00 0.00 C ATOM 0 H THR A 55 -2.515 7.690 -1.087 1.00 0.00 H new ATOM 0 HA THR A 55 -3.306 4.965 -1.888 1.00 0.00 H new ATOM 0 HB THR A 55 -4.598 6.393 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.552 6.151 -5.354 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.683 8.359 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.527 8.518 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.108 8.088 -3.665 1.00 0.00 H new ATOM 844 N PHE A 56 -1.023 4.417 -2.764 1.00 0.00 N ATOM 845 CA PHE A 56 0.353 4.052 -3.082 1.00 0.00 C ATOM 846 C PHE A 56 0.395 3.010 -4.197 1.00 0.00 C ATOM 847 O PHE A 56 -0.566 2.277 -4.432 1.00 0.00 O ATOM 848 CB PHE A 56 1.061 3.513 -1.838 1.00 0.00 C ATOM 849 CG PHE A 56 0.211 2.582 -1.021 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.688 3.079 -0.091 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.313 1.209 -1.182 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.471 2.225 0.662 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.468 0.351 -0.432 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.361 0.859 0.492 1.00 0.00 C ATOM 0 H PHE A 56 -1.684 3.641 -2.796 1.00 0.00 H new ATOM 0 HA PHE A 56 0.870 4.948 -3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.968 2.991 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.371 4.351 -1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.778 4.146 0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.010 0.806 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.168 2.626 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.381 -0.717 -0.568 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.971 0.189 1.080 1.00 0.00 H new ATOM 864 N PRO A 57 1.535 2.943 -4.900 1.00 0.00 N ATOM 865 CA PRO A 57 1.730 1.995 -6.001 1.00 0.00 C ATOM 866 C PRO A 57 1.831 0.554 -5.514 1.00 0.00 C ATOM 867 O PRO A 57 2.776 0.188 -4.817 1.00 0.00 O ATOM 868 CB PRO A 57 3.055 2.443 -6.623 1.00 0.00 C ATOM 869 CG PRO A 57 3.779 3.132 -5.518 1.00 0.00 C ATOM 870 CD PRO A 57 2.720 3.786 -4.675 1.00 0.00 C ATOM 0 HA PRO A 57 0.892 2.001 -6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.624 1.592 -6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.890 3.113 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.362 2.422 -4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.478 3.871 -5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.002 3.809 -3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.543 4.817 -4.981 1.00 0.00 H new ATOM 878 N GLY A 58 0.849 -0.262 -5.888 1.00 0.00 N ATOM 879 CA GLY A 58 0.847 -1.655 -5.480 1.00 0.00 C ATOM 880 C GLY A 58 2.101 -2.388 -5.913 1.00 0.00 C ATOM 881 O GLY A 58 2.441 -3.431 -5.357 1.00 0.00 O ATOM 0 H GLY A 58 0.056 0.017 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.752 -1.713 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.025 -2.153 -5.903 1.00 0.00 H new ATOM 885 N ASN A 59 2.790 -1.842 -6.909 1.00 0.00 N ATOM 886 CA ASN A 59 4.012 -2.452 -7.418 1.00 0.00 C ATOM 887 C ASN A 59 5.111 -2.435 -6.360 1.00 0.00 C ATOM 888 O ASN A 59 6.155 -3.066 -6.523 1.00 0.00 O ATOM 889 CB ASN A 59 4.488 -1.720 -8.675 1.00 0.00 C ATOM 890 CG ASN A 59 3.349 -1.401 -9.624 1.00 0.00 C ATOM 891 OD1 ASN A 59 2.936 -2.243 -10.421 1.00 0.00 O ATOM 892 ND2 ASN A 59 2.836 -0.179 -9.542 1.00 0.00 N ATOM 0 H ASN A 59 2.523 -0.978 -7.380 1.00 0.00 H new ATOM 0 HA ASN A 59 3.792 -3.489 -7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.987 -0.795 -8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.227 -2.333 -9.191 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.068 0.094 -10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.210 0.487 -8.866 1.00 0.00 H new ATOM 899 N TYR A 60 4.867 -1.709 -5.274 1.00 0.00 N ATOM 900 CA TYR A 60 5.835 -1.607 -4.189 1.00 0.00 C ATOM 901 C TYR A 60 5.480 -2.559 -3.051 1.00 0.00 C ATOM 902 O TYR A 60 6.351 -3.006 -2.305 1.00 0.00 O ATOM 903 CB TYR A 60 5.899 -0.171 -3.667 1.00 0.00 C ATOM 904 CG TYR A 60 6.800 0.730 -4.480 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.375 1.257 -5.694 1.00 0.00 C ATOM 906 CD2 TYR A 60 8.076 1.054 -4.037 1.00 0.00 C ATOM 907 CE1 TYR A 60 7.195 2.080 -6.441 1.00 0.00 C ATOM 908 CE2 TYR A 60 8.902 1.877 -4.777 1.00 0.00 C ATOM 909 CZ TYR A 60 8.457 2.388 -5.978 1.00 0.00 C ATOM 910 OH TYR A 60 9.278 3.207 -6.719 1.00 0.00 O ATOM 0 H TYR A 60 4.007 -1.183 -5.122 1.00 0.00 H new ATOM 0 HA TYR A 60 6.813 -1.887 -4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.893 0.248 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.248 -0.184 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.387 1.019 -6.059 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.428 0.655 -3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.850 2.480 -7.383 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.891 2.119 -4.417 1.00 0.00 H new ATOM 0 HH TYR A 60 10.131 3.325 -6.251 1.00 0.00 H new ATOM 920 N VAL A 61 4.193 -2.866 -2.925 1.00 0.00 N ATOM 921 CA VAL A 61 3.720 -3.766 -1.880 1.00 0.00 C ATOM 922 C VAL A 61 3.250 -5.091 -2.468 1.00 0.00 C ATOM 923 O VAL A 61 3.146 -5.240 -3.685 1.00 0.00 O ATOM 924 CB VAL A 61 2.567 -3.136 -1.076 1.00 0.00 C ATOM 925 CG1 VAL A 61 2.993 -1.798 -0.489 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.333 -2.975 -1.951 1.00 0.00 C ATOM 0 H VAL A 61 3.459 -2.504 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 61 4.562 -3.946 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 61 2.315 -3.803 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.165 -1.368 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.846 -1.946 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.273 -1.120 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.528 -2.529 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.569 -2.329 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.017 -3.952 -2.317 1.00 0.00 H new ATOM 936 N ALA A 62 2.967 -6.052 -1.594 1.00 0.00 N ATOM 937 CA ALA A 62 2.505 -7.366 -2.026 1.00 0.00 C ATOM 938 C ALA A 62 1.616 -8.011 -0.968 1.00 0.00 C ATOM 939 O ALA A 62 1.778 -7.789 0.232 1.00 0.00 O ATOM 940 CB ALA A 62 3.691 -8.265 -2.341 1.00 0.00 C ATOM 0 H ALA A 62 3.050 -5.945 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 62 1.911 -7.236 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.331 -9.243 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.285 -7.817 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.307 -8.380 -1.449 1.00 0.00 H new ATOM 946 N PRO A 63 0.654 -8.828 -1.421 1.00 0.00 N ATOM 947 CA PRO A 63 -0.280 -9.521 -0.529 1.00 0.00 C ATOM 948 C PRO A 63 0.401 -10.615 0.286 1.00 0.00 C ATOM 949 O PRO A 63 0.735 -11.678 -0.238 1.00 0.00 O ATOM 950 CB PRO A 63 -1.303 -10.130 -1.491 1.00 0.00 C ATOM 951 CG PRO A 63 -0.569 -10.283 -2.778 1.00 0.00 C ATOM 952 CD PRO A 63 0.403 -9.138 -2.838 1.00 0.00 C ATOM 0 HA PRO A 63 -0.716 -8.847 0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.667 -11.091 -1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.173 -9.483 -1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.048 -11.240 -2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.255 -10.257 -3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.320 -9.417 -3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.016 -8.283 -3.368 1.00 0.00 H new ATOM 960 N VAL A 64 0.605 -10.348 1.573 1.00 0.00 N ATOM 961 CA VAL A 64 1.245 -11.311 2.461 1.00 0.00 C ATOM 962 C VAL A 64 0.259 -12.382 2.913 1.00 0.00 C ATOM 963 O VAL A 64 0.657 -13.440 3.402 1.00 0.00 O ATOM 964 CB VAL A 64 1.841 -10.620 3.702 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.904 -9.534 4.209 1.00 0.00 C ATOM 966 CG2 VAL A 64 2.127 -11.640 4.793 1.00 0.00 C ATOM 0 H VAL A 64 0.336 -9.473 2.023 1.00 0.00 H new ATOM 0 HA VAL A 64 2.049 -11.779 1.893 1.00 0.00 H new ATOM 0 HB VAL A 64 2.783 -10.151 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.341 -9.057 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.754 -8.789 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.055 -9.977 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.548 -11.135 5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.200 -12.139 5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.838 -12.378 4.423 1.00 0.00 H new ATOM 976 N SER A 65 -1.029 -12.101 2.746 1.00 0.00 N ATOM 977 CA SER A 65 -2.073 -13.039 3.140 1.00 0.00 C ATOM 978 C SER A 65 -1.816 -14.420 2.545 1.00 0.00 C ATOM 979 O SER A 65 -2.306 -15.428 3.052 1.00 0.00 O ATOM 980 CB SER A 65 -3.444 -12.527 2.693 1.00 0.00 C ATOM 981 OG SER A 65 -4.375 -13.589 2.585 1.00 0.00 O ATOM 0 H SER A 65 -1.375 -11.231 2.340 1.00 0.00 H new ATOM 0 HA SER A 65 -2.060 -13.122 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.810 -11.789 3.407 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.351 -12.022 1.732 1.00 0.00 H new ATOM 0 HG SER A 65 -5.243 -13.235 2.299 1.00 0.00 H new ATOM 987 N GLY A 66 -1.042 -14.457 1.464 1.00 0.00 N ATOM 988 CA GLY A 66 -0.732 -15.719 0.817 1.00 0.00 C ATOM 989 C GLY A 66 -0.442 -16.825 1.811 1.00 0.00 C ATOM 990 O GLY A 66 0.113 -16.593 2.886 1.00 0.00 O ATOM 0 H GLY A 66 -0.625 -13.636 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.569 -16.014 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.131 -15.587 0.164 1.00 0.00 H new ATOM 994 N PRO A 67 -0.824 -18.061 1.456 1.00 0.00 N ATOM 995 CA PRO A 67 -0.613 -19.231 2.312 1.00 0.00 C ATOM 996 C PRO A 67 0.860 -19.612 2.421 1.00 0.00 C ATOM 997 O PRO A 67 1.343 -20.476 1.689 1.00 0.00 O ATOM 998 CB PRO A 67 -1.399 -20.336 1.603 1.00 0.00 C ATOM 999 CG PRO A 67 -1.444 -19.913 0.175 1.00 0.00 C ATOM 1000 CD PRO A 67 -1.491 -18.410 0.190 1.00 0.00 C ATOM 0 HA PRO A 67 -0.936 -19.049 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.909 -21.304 1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.402 -20.437 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.568 -20.271 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.319 -20.326 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.973 -17.983 -0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.516 -18.040 0.160 1.00 0.00 H new ATOM 1008 N SER A 68 1.568 -18.962 3.339 1.00 0.00 N ATOM 1009 CA SER A 68 2.987 -19.231 3.541 1.00 0.00 C ATOM 1010 C SER A 68 3.191 -20.301 4.609 1.00 0.00 C ATOM 1011 O SER A 68 4.144 -20.245 5.387 1.00 0.00 O ATOM 1012 CB SER A 68 3.718 -17.948 3.943 1.00 0.00 C ATOM 1013 OG SER A 68 5.109 -18.055 3.693 1.00 0.00 O ATOM 0 H SER A 68 1.183 -18.246 3.954 1.00 0.00 H new ATOM 0 HA SER A 68 3.399 -19.598 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.309 -17.104 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.550 -17.746 5.001 1.00 0.00 H new ATOM 0 HG SER A 68 5.463 -18.849 4.146 1.00 0.00 H new ATOM 1019 N SER A 69 2.288 -21.276 4.641 1.00 0.00 N ATOM 1020 CA SER A 69 2.365 -22.358 5.615 1.00 0.00 C ATOM 1021 C SER A 69 3.555 -23.268 5.324 1.00 0.00 C ATOM 1022 O SER A 69 3.960 -23.429 4.174 1.00 0.00 O ATOM 1023 CB SER A 69 1.071 -23.174 5.606 1.00 0.00 C ATOM 1024 OG SER A 69 0.830 -23.762 6.873 1.00 0.00 O ATOM 0 H SER A 69 1.494 -21.339 4.003 1.00 0.00 H new ATOM 0 HA SER A 69 2.501 -21.916 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.234 -22.531 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.134 -23.953 4.846 1.00 0.00 H new ATOM 0 HG SER A 69 -0.003 -24.277 6.842 1.00 0.00 H new ATOM 1030 N GLY A 70 4.111 -23.860 6.376 1.00 0.00 N ATOM 1031 CA GLY A 70 5.248 -24.746 6.214 1.00 0.00 C ATOM 1032 C GLY A 70 5.332 -25.790 7.310 1.00 0.00 C ATOM 1033 O GLY A 70 6.332 -25.874 8.022 1.00 0.00 O ATOM 0 H GLY A 70 3.794 -23.742 7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.181 -25.244 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.165 -24.157 6.207 1.00 0.00 H new TER 1037 GLY A 70