USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 0.199 USER MOD Single : A 5 SER OG : rot 180:sc= -0.107 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0171 K(o=-0.017,f=-3.9!) USER MOD Single : A 12 LYS NZ :NH3+ -125:sc= -0.0212 (180deg=-0.744) USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= -1.53! (180deg=-3.24!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0012 USER MOD Single : A 23 SER OG : rot -140:sc= -0.571 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.24) USER MOD Single : A 40 ASN : amide:sc= -1.85 K(o=-1.8,f=-11!) USER MOD Single : A 41 TYR OH : rot 130:sc=-0.00428 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.46) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 54 SER OG : rot 11:sc= 1.19 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.554 4.062 2.993 1.00 0.00 N ATOM 2 CA GLY A 1 11.743 4.682 4.024 1.00 0.00 C ATOM 3 C GLY A 1 12.440 5.856 4.683 1.00 0.00 C ATOM 4 O GLY A 1 12.624 5.874 5.900 1.00 0.00 O ATOM 0 H1 GLY A 1 12.033 3.265 2.574 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.771 4.761 2.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.441 3.714 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.803 5.020 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.494 3.939 4.782 1.00 0.00 H new ATOM 8 N SER A 2 12.830 6.838 3.877 1.00 0.00 N ATOM 9 CA SER A 2 13.516 8.019 4.389 1.00 0.00 C ATOM 10 C SER A 2 12.933 9.291 3.783 1.00 0.00 C ATOM 11 O SER A 2 12.811 9.411 2.563 1.00 0.00 O ATOM 12 CB SER A 2 15.013 7.936 4.087 1.00 0.00 C ATOM 13 OG SER A 2 15.271 8.166 2.712 1.00 0.00 O ATOM 0 H SER A 2 12.683 6.840 2.868 1.00 0.00 H new ATOM 0 HA SER A 2 13.372 8.053 5.469 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.549 8.670 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.390 6.954 4.371 1.00 0.00 H new ATOM 0 HG SER A 2 16.235 8.109 2.546 1.00 0.00 H new ATOM 19 N SER A 3 12.577 10.240 4.643 1.00 0.00 N ATOM 20 CA SER A 3 12.003 11.503 4.193 1.00 0.00 C ATOM 21 C SER A 3 10.946 11.268 3.118 1.00 0.00 C ATOM 22 O SER A 3 10.881 11.992 2.126 1.00 0.00 O ATOM 23 CB SER A 3 13.100 12.422 3.652 1.00 0.00 C ATOM 24 OG SER A 3 12.623 13.747 3.491 1.00 0.00 O ATOM 0 H SER A 3 12.676 10.158 5.655 1.00 0.00 H new ATOM 0 HA SER A 3 11.526 11.981 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.950 12.419 4.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.458 12.042 2.695 1.00 0.00 H new ATOM 0 HG SER A 3 11.827 13.741 2.920 1.00 0.00 H new ATOM 30 N GLY A 4 10.118 10.247 3.325 1.00 0.00 N ATOM 31 CA GLY A 4 9.075 9.934 2.366 1.00 0.00 C ATOM 32 C GLY A 4 7.868 9.285 3.014 1.00 0.00 C ATOM 33 O GLY A 4 7.911 8.112 3.387 1.00 0.00 O ATOM 0 H GLY A 4 10.151 9.633 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.764 10.848 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.476 9.268 1.602 1.00 0.00 H new ATOM 37 N SER A 5 6.789 10.049 3.151 1.00 0.00 N ATOM 38 CA SER A 5 5.567 9.542 3.765 1.00 0.00 C ATOM 39 C SER A 5 4.490 9.301 2.711 1.00 0.00 C ATOM 40 O SER A 5 3.833 8.260 2.706 1.00 0.00 O ATOM 41 CB SER A 5 5.054 10.527 4.818 1.00 0.00 C ATOM 42 OG SER A 5 4.616 11.733 4.218 1.00 0.00 O ATOM 0 H SER A 5 6.736 11.021 2.845 1.00 0.00 H new ATOM 0 HA SER A 5 5.798 8.592 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.233 10.075 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.845 10.741 5.536 1.00 0.00 H new ATOM 0 HG SER A 5 4.292 12.345 4.912 1.00 0.00 H new ATOM 48 N SER A 6 4.316 10.271 1.819 1.00 0.00 N ATOM 49 CA SER A 6 3.317 10.166 0.761 1.00 0.00 C ATOM 50 C SER A 6 3.972 9.832 -0.574 1.00 0.00 C ATOM 51 O SER A 6 5.174 10.028 -0.756 1.00 0.00 O ATOM 52 CB SER A 6 2.530 11.473 0.644 1.00 0.00 C ATOM 53 OG SER A 6 3.387 12.558 0.334 1.00 0.00 O ATOM 0 H SER A 6 4.853 11.138 1.808 1.00 0.00 H new ATOM 0 HA SER A 6 2.632 9.359 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.768 11.375 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.009 11.673 1.581 1.00 0.00 H new ATOM 0 HG SER A 6 2.860 13.381 0.263 1.00 0.00 H new ATOM 59 N GLY A 7 3.174 9.324 -1.508 1.00 0.00 N ATOM 60 CA GLY A 7 3.693 8.970 -2.816 1.00 0.00 C ATOM 61 C GLY A 7 2.906 7.851 -3.469 1.00 0.00 C ATOM 62 O GLY A 7 2.176 7.122 -2.796 1.00 0.00 O ATOM 0 H GLY A 7 2.177 9.151 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.673 9.848 -3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.736 8.668 -2.720 1.00 0.00 H new ATOM 66 N TRP A 8 3.054 7.713 -4.781 1.00 0.00 N ATOM 67 CA TRP A 8 2.349 6.674 -5.525 1.00 0.00 C ATOM 68 C TRP A 8 3.085 5.342 -5.428 1.00 0.00 C ATOM 69 O TRP A 8 3.212 4.618 -6.416 1.00 0.00 O ATOM 70 CB TRP A 8 2.198 7.082 -6.991 1.00 0.00 C ATOM 71 CG TRP A 8 1.574 8.434 -7.171 1.00 0.00 C ATOM 72 CD1 TRP A 8 2.214 9.639 -7.161 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.187 8.715 -7.383 1.00 0.00 C ATOM 74 NE1 TRP A 8 1.309 10.654 -7.355 1.00 0.00 N ATOM 75 CE2 TRP A 8 0.058 10.114 -7.496 1.00 0.00 C ATOM 76 CE3 TRP A 8 -0.958 7.923 -7.494 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.171 10.733 -7.711 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -2.177 8.539 -7.707 1.00 0.00 C ATOM 79 CH2 TRP A 8 -2.275 9.932 -7.814 1.00 0.00 C ATOM 0 H TRP A 8 3.655 8.307 -5.352 1.00 0.00 H new ATOM 0 HA TRP A 8 1.359 6.554 -5.085 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.180 7.077 -7.465 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.591 6.338 -7.507 1.00 0.00 H new ATOM 0 HD1 TRP A 8 3.276 9.775 -7.021 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.532 11.649 -7.389 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.892 6.848 -7.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.250 11.807 -7.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.069 7.936 -7.792 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.242 10.383 -7.981 1.00 0.00 H new ATOM 90 N THR A 9 3.569 5.023 -4.232 1.00 0.00 N ATOM 91 CA THR A 9 4.292 3.778 -4.007 1.00 0.00 C ATOM 92 C THR A 9 3.853 3.113 -2.708 1.00 0.00 C ATOM 93 O THR A 9 3.541 3.789 -1.727 1.00 0.00 O ATOM 94 CB THR A 9 5.814 4.013 -3.961 1.00 0.00 C ATOM 95 OG1 THR A 9 6.138 4.914 -2.896 1.00 0.00 O ATOM 96 CG2 THR A 9 6.315 4.580 -5.282 1.00 0.00 C ATOM 0 H THR A 9 3.473 5.610 -3.404 1.00 0.00 H new ATOM 0 HA THR A 9 4.058 3.121 -4.845 1.00 0.00 H new ATOM 0 HB THR A 9 6.302 3.054 -3.787 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.107 5.057 -2.872 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.392 4.737 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.093 3.879 -6.087 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.819 5.530 -5.481 1.00 0.00 H new ATOM 104 N CYS A 10 3.830 1.785 -2.707 1.00 0.00 N ATOM 105 CA CYS A 10 3.429 1.027 -1.527 1.00 0.00 C ATOM 106 C CYS A 10 4.479 -0.021 -1.171 1.00 0.00 C ATOM 107 O CYS A 10 5.298 -0.404 -2.005 1.00 0.00 O ATOM 108 CB CYS A 10 2.078 0.351 -1.765 1.00 0.00 C ATOM 109 SG CYS A 10 0.647 1.466 -1.588 1.00 0.00 S ATOM 0 H CYS A 10 4.084 1.210 -3.510 1.00 0.00 H new ATOM 0 HA CYS A 10 3.338 1.722 -0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.070 -0.077 -2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.969 -0.476 -1.064 1.00 0.00 H new ATOM 114 N ASN A 11 4.449 -0.481 0.076 1.00 0.00 N ATOM 115 CA ASN A 11 5.397 -1.485 0.543 1.00 0.00 C ATOM 116 C ASN A 11 4.670 -2.729 1.044 1.00 0.00 C ATOM 117 O ASN A 11 3.514 -2.660 1.463 1.00 0.00 O ATOM 118 CB ASN A 11 6.273 -0.910 1.658 1.00 0.00 C ATOM 119 CG ASN A 11 7.337 0.032 1.129 1.00 0.00 C ATOM 120 OD1 ASN A 11 7.108 0.772 0.172 1.00 0.00 O ATOM 121 ND2 ASN A 11 8.511 0.007 1.751 1.00 0.00 N ATOM 0 H ASN A 11 3.778 -0.174 0.781 1.00 0.00 H new ATOM 0 HA ASN A 11 6.030 -1.769 -0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.644 -0.379 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.751 -1.727 2.199 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.266 0.617 1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.657 -0.622 2.540 1.00 0.00 H new ATOM 128 N LYS A 12 5.355 -3.867 0.999 1.00 0.00 N ATOM 129 CA LYS A 12 4.777 -5.127 1.449 1.00 0.00 C ATOM 130 C LYS A 12 4.166 -4.980 2.839 1.00 0.00 C ATOM 131 O LYS A 12 2.987 -5.268 3.043 1.00 0.00 O ATOM 132 CB LYS A 12 5.844 -6.225 1.464 1.00 0.00 C ATOM 133 CG LYS A 12 5.279 -7.624 1.287 1.00 0.00 C ATOM 134 CD LYS A 12 4.780 -7.850 -0.131 1.00 0.00 C ATOM 135 CE LYS A 12 3.705 -8.924 -0.180 1.00 0.00 C ATOM 136 NZ LYS A 12 2.447 -8.481 0.480 1.00 0.00 N ATOM 0 H LYS A 12 6.312 -3.942 0.655 1.00 0.00 H new ATOM 0 HA LYS A 12 3.987 -5.405 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.565 -6.030 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.388 -6.179 2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.047 -8.360 1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.461 -7.778 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.382 -6.917 -0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.615 -8.140 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.498 -9.183 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.072 -9.827 0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.179 -9.168 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.594 -7.548 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.688 -8.416 -0.228 1.00 0.00 H new ATOM 150 N PHE A 13 4.975 -4.528 3.792 1.00 0.00 N ATOM 151 CA PHE A 13 4.514 -4.342 5.162 1.00 0.00 C ATOM 152 C PHE A 13 3.395 -3.306 5.223 1.00 0.00 C ATOM 153 O PHE A 13 2.408 -3.484 5.938 1.00 0.00 O ATOM 154 CB PHE A 13 5.675 -3.908 6.059 1.00 0.00 C ATOM 155 CG PHE A 13 6.638 -5.018 6.372 1.00 0.00 C ATOM 156 CD1 PHE A 13 7.670 -5.323 5.499 1.00 0.00 C ATOM 157 CD2 PHE A 13 6.510 -5.755 7.537 1.00 0.00 C ATOM 158 CE1 PHE A 13 8.558 -6.343 5.784 1.00 0.00 C ATOM 159 CE2 PHE A 13 7.396 -6.776 7.828 1.00 0.00 C ATOM 160 CZ PHE A 13 8.420 -7.071 6.949 1.00 0.00 C ATOM 0 H PHE A 13 5.954 -4.284 3.640 1.00 0.00 H new ATOM 0 HA PHE A 13 4.124 -5.295 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.215 -3.095 5.573 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.274 -3.511 6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.782 -4.757 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.709 -5.530 8.226 1.00 0.00 H new ATOM 0 HE1 PHE A 13 9.359 -6.570 5.096 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.288 -7.342 8.741 1.00 0.00 H new ATOM 0 HZ PHE A 13 9.112 -7.870 7.173 1.00 0.00 H new ATOM 170 N ARG A 14 3.556 -2.224 4.468 1.00 0.00 N ATOM 171 CA ARG A 14 2.562 -1.159 4.438 1.00 0.00 C ATOM 172 C ARG A 14 1.163 -1.728 4.215 1.00 0.00 C ATOM 173 O ARG A 14 0.219 -1.379 4.925 1.00 0.00 O ATOM 174 CB ARG A 14 2.895 -0.152 3.336 1.00 0.00 C ATOM 175 CG ARG A 14 3.885 0.918 3.769 1.00 0.00 C ATOM 176 CD ARG A 14 3.200 2.024 4.556 1.00 0.00 C ATOM 177 NE ARG A 14 3.181 1.744 5.990 1.00 0.00 N ATOM 178 CZ ARG A 14 4.187 2.031 6.808 1.00 0.00 C ATOM 179 NH1 ARG A 14 5.286 2.605 6.338 1.00 0.00 N ATOM 180 NH2 ARG A 14 4.094 1.745 8.101 1.00 0.00 N ATOM 0 H ARG A 14 4.366 -2.062 3.869 1.00 0.00 H new ATOM 0 HA ARG A 14 2.581 -0.651 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.302 -0.686 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.975 0.329 3.004 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.667 0.466 4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.371 1.342 2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.715 2.968 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.178 2.145 4.197 1.00 0.00 H new ATOM 0 HE ARG A 14 2.350 1.304 6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.361 2.827 5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.057 2.824 6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.250 1.305 8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.867 1.966 8.729 1.00 0.00 H new ATOM 194 N CYS A 15 1.038 -2.604 3.224 1.00 0.00 N ATOM 195 CA CYS A 15 -0.245 -3.220 2.907 1.00 0.00 C ATOM 196 C CYS A 15 -1.006 -3.581 4.179 1.00 0.00 C ATOM 197 O CYS A 15 -0.638 -4.515 4.891 1.00 0.00 O ATOM 198 CB CYS A 15 -0.035 -4.473 2.052 1.00 0.00 C ATOM 199 SG CYS A 15 1.085 -4.227 0.637 1.00 0.00 S ATOM 0 H CYS A 15 1.809 -2.903 2.627 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.837 -2.498 2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.363 -5.268 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.002 -4.814 1.682 1.00 0.00 H new ATOM 204 N GLY A 16 -2.069 -2.833 4.458 1.00 0.00 N ATOM 205 CA GLY A 16 -2.866 -3.090 5.643 1.00 0.00 C ATOM 206 C GLY A 16 -2.715 -2.003 6.688 1.00 0.00 C ATOM 207 O GLY A 16 -2.569 -2.291 7.876 1.00 0.00 O ATOM 0 H GLY A 16 -2.392 -2.054 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.915 -3.175 5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.573 -4.047 6.074 1.00 0.00 H new ATOM 211 N GLU A 17 -2.750 -0.750 6.246 1.00 0.00 N ATOM 212 CA GLU A 17 -2.614 0.384 7.154 1.00 0.00 C ATOM 213 C GLU A 17 -3.932 1.141 7.280 1.00 0.00 C ATOM 214 O GLU A 17 -4.864 0.924 6.505 1.00 0.00 O ATOM 215 CB GLU A 17 -1.515 1.329 6.662 1.00 0.00 C ATOM 216 CG GLU A 17 -1.770 1.888 5.272 1.00 0.00 C ATOM 217 CD GLU A 17 -1.039 3.193 5.024 1.00 0.00 C ATOM 218 OE1 GLU A 17 0.087 3.348 5.541 1.00 0.00 O ATOM 219 OE2 GLU A 17 -1.592 4.058 4.315 1.00 0.00 O ATOM 0 H GLU A 17 -2.871 -0.494 5.266 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.341 -0.000 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.417 2.156 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.564 0.797 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.460 1.155 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.840 2.045 5.138 1.00 0.00 H new ATOM 226 N LYS A 18 -4.005 2.031 8.264 1.00 0.00 N ATOM 227 CA LYS A 18 -5.208 2.822 8.495 1.00 0.00 C ATOM 228 C LYS A 18 -4.889 4.314 8.480 1.00 0.00 C ATOM 229 O LYS A 18 -5.681 5.131 8.948 1.00 0.00 O ATOM 230 CB LYS A 18 -5.846 2.439 9.831 1.00 0.00 C ATOM 231 CG LYS A 18 -4.872 2.451 10.996 1.00 0.00 C ATOM 232 CD LYS A 18 -4.821 3.814 11.666 1.00 0.00 C ATOM 233 CE LYS A 18 -6.005 4.020 12.601 1.00 0.00 C ATOM 234 NZ LYS A 18 -7.233 4.422 11.861 1.00 0.00 N ATOM 0 H LYS A 18 -3.244 2.223 8.915 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.912 2.611 7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.663 3.128 10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.283 1.444 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.167 1.697 11.726 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.877 2.181 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.892 3.910 12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.816 4.595 10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.198 3.099 13.151 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.758 4.785 13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.768 5.113 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.966 4.850 10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.824 3.584 11.688 1.00 0.00 H new ATOM 248 N ARG A 19 -3.726 4.661 7.939 1.00 0.00 N ATOM 249 CA ARG A 19 -3.304 6.053 7.863 1.00 0.00 C ATOM 250 C ARG A 19 -2.958 6.440 6.427 1.00 0.00 C ATOM 251 O ARG A 19 -3.053 5.620 5.513 1.00 0.00 O ATOM 252 CB ARG A 19 -2.096 6.292 8.771 1.00 0.00 C ATOM 253 CG ARG A 19 -2.470 6.609 10.210 1.00 0.00 C ATOM 254 CD ARG A 19 -2.673 8.103 10.417 1.00 0.00 C ATOM 255 NE ARG A 19 -3.427 8.388 11.635 1.00 0.00 N ATOM 256 CZ ARG A 19 -4.753 8.358 11.702 1.00 0.00 C ATOM 257 NH1 ARG A 19 -5.469 8.054 10.628 1.00 0.00 N ATOM 258 NH2 ARG A 19 -5.367 8.630 12.847 1.00 0.00 N ATOM 0 H ARG A 19 -3.059 3.996 7.547 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.133 6.676 8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.460 5.407 8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.506 7.115 8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.383 6.076 10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.687 6.251 10.878 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.703 8.597 10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.200 8.520 9.558 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.907 8.623 12.480 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.001 7.842 9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.487 8.032 10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.820 8.862 13.676 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.385 8.607 12.898 1.00 0.00 H new ATOM 272 N LEU A 20 -2.560 7.692 6.237 1.00 0.00 N ATOM 273 CA LEU A 20 -2.202 8.189 4.913 1.00 0.00 C ATOM 274 C LEU A 20 -3.248 7.787 3.879 1.00 0.00 C ATOM 275 O LEU A 20 -2.913 7.371 2.770 1.00 0.00 O ATOM 276 CB LEU A 20 -0.829 7.654 4.501 1.00 0.00 C ATOM 277 CG LEU A 20 0.376 8.292 5.194 1.00 0.00 C ATOM 278 CD1 LEU A 20 0.460 9.773 4.859 1.00 0.00 C ATOM 279 CD2 LEU A 20 0.296 8.087 6.699 1.00 0.00 C ATOM 0 H LEU A 20 -2.477 8.383 6.983 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.163 9.277 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.807 6.581 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.717 7.788 3.425 1.00 0.00 H new ATOM 0 HG LEU A 20 1.281 7.806 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.323 10.211 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.565 9.897 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.448 10.274 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.162 8.547 7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.616 8.547 7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.285 7.020 6.921 1.00 0.00 H new ATOM 291 N THR A 21 -4.518 7.915 4.249 1.00 0.00 N ATOM 292 CA THR A 21 -5.614 7.566 3.355 1.00 0.00 C ATOM 293 C THR A 21 -5.906 8.698 2.376 1.00 0.00 C ATOM 294 O THR A 21 -6.102 8.464 1.183 1.00 0.00 O ATOM 295 CB THR A 21 -6.898 7.237 4.140 1.00 0.00 C ATOM 296 OG1 THR A 21 -7.246 8.334 4.992 1.00 0.00 O ATOM 297 CG2 THR A 21 -6.714 5.979 4.974 1.00 0.00 C ATOM 0 H THR A 21 -4.813 8.258 5.163 1.00 0.00 H new ATOM 0 HA THR A 21 -5.300 6.681 2.801 1.00 0.00 H new ATOM 0 HB THR A 21 -7.702 7.065 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.064 8.118 5.486 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.633 5.766 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.478 5.140 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.898 6.128 5.682 1.00 0.00 H new ATOM 305 N ARG A 22 -5.934 9.924 2.888 1.00 0.00 N ATOM 306 CA ARG A 22 -6.203 11.092 2.058 1.00 0.00 C ATOM 307 C ARG A 22 -5.157 11.230 0.957 1.00 0.00 C ATOM 308 O ARG A 22 -5.472 11.617 -0.168 1.00 0.00 O ATOM 309 CB ARG A 22 -6.225 12.359 2.916 1.00 0.00 C ATOM 310 CG ARG A 22 -7.593 12.675 3.499 1.00 0.00 C ATOM 311 CD ARG A 22 -7.596 14.015 4.218 1.00 0.00 C ATOM 312 NE ARG A 22 -7.319 15.124 3.309 1.00 0.00 N ATOM 313 CZ ARG A 22 -7.222 16.389 3.701 1.00 0.00 C ATOM 314 NH1 ARG A 22 -7.378 16.705 4.980 1.00 0.00 N ATOM 315 NH2 ARG A 22 -6.967 17.342 2.814 1.00 0.00 N ATOM 0 H ARG A 22 -5.774 10.134 3.873 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.180 10.958 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.509 12.249 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.893 13.203 2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.336 12.687 2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.884 11.887 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.565 14.169 4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.850 14.002 5.012 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.193 14.915 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.573 15.975 5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.303 17.678 5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.845 17.103 1.830 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.893 18.313 3.116 1.00 0.00 H new ATOM 329 N SER A 23 -3.910 10.910 1.289 1.00 0.00 N ATOM 330 CA SER A 23 -2.816 11.002 0.329 1.00 0.00 C ATOM 331 C SER A 23 -3.263 10.532 -1.052 1.00 0.00 C ATOM 332 O SER A 23 -4.253 9.812 -1.184 1.00 0.00 O ATOM 333 CB SER A 23 -1.623 10.168 0.802 1.00 0.00 C ATOM 334 OG SER A 23 -0.405 10.688 0.297 1.00 0.00 O ATOM 0 H SER A 23 -3.632 10.585 2.215 1.00 0.00 H new ATOM 0 HA SER A 23 -2.515 12.047 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.593 10.156 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.745 9.135 0.475 1.00 0.00 H new ATOM 0 HG SER A 23 0.182 9.949 0.034 1.00 0.00 H new ATOM 340 N LEU A 24 -2.528 10.947 -2.078 1.00 0.00 N ATOM 341 CA LEU A 24 -2.848 10.569 -3.450 1.00 0.00 C ATOM 342 C LEU A 24 -3.425 9.158 -3.506 1.00 0.00 C ATOM 343 O LEU A 24 -4.442 8.919 -4.158 1.00 0.00 O ATOM 344 CB LEU A 24 -1.598 10.656 -4.328 1.00 0.00 C ATOM 345 CG LEU A 24 -0.889 12.011 -4.354 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.563 11.846 -4.776 1.00 0.00 C ATOM 347 CD2 LEU A 24 -1.611 12.972 -5.288 1.00 0.00 C ATOM 0 H LEU A 24 -1.707 11.545 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.599 11.264 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.887 9.903 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.876 10.394 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.908 12.429 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.051 12.820 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.075 11.193 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.605 11.406 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.093 13.931 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.623 12.559 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.635 13.115 -4.943 1.00 0.00 H new ATOM 359 N CYS A 25 -2.772 8.229 -2.818 1.00 0.00 N ATOM 360 CA CYS A 25 -3.221 6.842 -2.787 1.00 0.00 C ATOM 361 C CYS A 25 -3.057 6.248 -1.391 1.00 0.00 C ATOM 362 O CYS A 25 -2.457 6.863 -0.510 1.00 0.00 O ATOM 363 CB CYS A 25 -2.438 6.009 -3.803 1.00 0.00 C ATOM 364 SG CYS A 25 -0.647 5.931 -3.478 1.00 0.00 S ATOM 0 H CYS A 25 -1.929 8.411 -2.274 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.279 6.822 -3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.839 4.996 -3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.598 6.424 -4.798 1.00 0.00 H new ATOM 369 N ALA A 26 -3.596 5.049 -1.197 1.00 0.00 N ATOM 370 CA ALA A 26 -3.508 4.371 0.089 1.00 0.00 C ATOM 371 C ALA A 26 -2.968 2.954 -0.072 1.00 0.00 C ATOM 372 O ALA A 26 -3.119 2.338 -1.127 1.00 0.00 O ATOM 373 CB ALA A 26 -4.871 4.344 0.766 1.00 0.00 C ATOM 0 H ALA A 26 -4.099 4.527 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.813 4.927 0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.790 3.834 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.218 5.365 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.582 3.814 0.132 1.00 0.00 H new ATOM 379 N CYS A 27 -2.336 2.443 0.980 1.00 0.00 N ATOM 380 CA CYS A 27 -1.772 1.099 0.955 1.00 0.00 C ATOM 381 C CYS A 27 -2.531 0.172 1.900 1.00 0.00 C ATOM 382 O CYS A 27 -1.928 -0.581 2.665 1.00 0.00 O ATOM 383 CB CYS A 27 -0.292 1.138 1.339 1.00 0.00 C ATOM 384 SG CYS A 27 0.725 2.214 0.277 1.00 0.00 S ATOM 0 H CYS A 27 -2.202 2.940 1.861 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.867 0.711 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.204 1.477 2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.109 0.125 1.301 1.00 0.00 H new ATOM 389 N SER A 28 -3.857 0.234 1.842 1.00 0.00 N ATOM 390 CA SER A 28 -4.699 -0.597 2.695 1.00 0.00 C ATOM 391 C SER A 28 -5.717 -1.373 1.865 1.00 0.00 C ATOM 392 O SER A 28 -5.998 -1.020 0.719 1.00 0.00 O ATOM 393 CB SER A 28 -5.423 0.267 3.730 1.00 0.00 C ATOM 394 OG SER A 28 -6.531 0.936 3.153 1.00 0.00 O ATOM 0 H SER A 28 -4.372 0.851 1.214 1.00 0.00 H new ATOM 0 HA SER A 28 -4.057 -1.311 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.762 -0.358 4.556 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.730 0.998 4.147 1.00 0.00 H new ATOM 0 HG SER A 28 -6.977 1.480 3.836 1.00 0.00 H new ATOM 400 N ASP A 29 -6.264 -2.432 2.451 1.00 0.00 N ATOM 401 CA ASP A 29 -7.250 -3.259 1.766 1.00 0.00 C ATOM 402 C ASP A 29 -8.632 -2.615 1.821 1.00 0.00 C ATOM 403 O ASP A 29 -9.630 -3.285 2.087 1.00 0.00 O ATOM 404 CB ASP A 29 -7.300 -4.654 2.391 1.00 0.00 C ATOM 405 CG ASP A 29 -5.927 -5.289 2.497 1.00 0.00 C ATOM 406 OD1 ASP A 29 -5.260 -5.090 3.533 1.00 0.00 O ATOM 407 OD2 ASP A 29 -5.520 -5.986 1.543 1.00 0.00 O ATOM 0 H ASP A 29 -6.041 -2.738 3.398 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.951 -3.347 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.745 -4.589 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.948 -5.294 1.793 1.00 0.00 H new ATOM 412 N ASP A 30 -8.681 -1.311 1.570 1.00 0.00 N ATOM 413 CA ASP A 30 -9.940 -0.576 1.591 1.00 0.00 C ATOM 414 C ASP A 30 -10.086 0.288 0.342 1.00 0.00 C ATOM 415 O ASP A 30 -11.178 0.416 -0.213 1.00 0.00 O ATOM 416 CB ASP A 30 -10.024 0.299 2.843 1.00 0.00 C ATOM 417 CG ASP A 30 -11.452 0.652 3.209 1.00 0.00 C ATOM 418 OD1 ASP A 30 -12.353 -0.172 2.945 1.00 0.00 O ATOM 419 OD2 ASP A 30 -11.668 1.751 3.761 1.00 0.00 O ATOM 0 H ASP A 30 -7.864 -0.742 1.350 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.754 -1.300 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.556 -0.222 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.457 1.215 2.681 1.00 0.00 H new ATOM 424 N CYS A 31 -8.980 0.879 -0.096 1.00 0.00 N ATOM 425 CA CYS A 31 -8.984 1.731 -1.278 1.00 0.00 C ATOM 426 C CYS A 31 -9.718 1.055 -2.433 1.00 0.00 C ATOM 427 O CYS A 31 -10.443 1.705 -3.188 1.00 0.00 O ATOM 428 CB CYS A 31 -7.551 2.065 -1.696 1.00 0.00 C ATOM 429 SG CYS A 31 -6.613 0.643 -2.341 1.00 0.00 S ATOM 0 H CYS A 31 -8.068 0.783 0.351 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.507 2.654 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.579 2.844 -2.458 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.020 2.477 -0.838 1.00 0.00 H new ATOM 434 N LYS A 32 -9.526 -0.252 -2.565 1.00 0.00 N ATOM 435 CA LYS A 32 -10.170 -1.018 -3.625 1.00 0.00 C ATOM 436 C LYS A 32 -11.636 -0.623 -3.769 1.00 0.00 C ATOM 437 O LYS A 32 -12.143 -0.472 -4.881 1.00 0.00 O ATOM 438 CB LYS A 32 -10.061 -2.517 -3.339 1.00 0.00 C ATOM 439 CG LYS A 32 -8.631 -3.002 -3.173 1.00 0.00 C ATOM 440 CD LYS A 32 -8.582 -4.439 -2.681 1.00 0.00 C ATOM 441 CE LYS A 32 -7.158 -4.973 -2.659 1.00 0.00 C ATOM 442 NZ LYS A 32 -7.012 -6.121 -1.722 1.00 0.00 N ATOM 0 H LYS A 32 -8.928 -0.804 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.658 -0.795 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.621 -2.747 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.531 -3.069 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.107 -2.925 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.107 -2.357 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.009 -4.496 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.197 -5.067 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.871 -5.285 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.475 -4.175 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.028 -6.457 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.261 -5.817 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.645 -6.892 -2.016 1.00 0.00 H new ATOM 456 N ASP A 33 -12.312 -0.455 -2.637 1.00 0.00 N ATOM 457 CA ASP A 33 -13.720 -0.074 -2.636 1.00 0.00 C ATOM 458 C ASP A 33 -13.908 1.312 -3.243 1.00 0.00 C ATOM 459 O ASP A 33 -14.570 1.467 -4.268 1.00 0.00 O ATOM 460 CB ASP A 33 -14.278 -0.103 -1.213 1.00 0.00 C ATOM 461 CG ASP A 33 -15.766 0.183 -1.168 1.00 0.00 C ATOM 462 OD1 ASP A 33 -16.466 -0.162 -2.144 1.00 0.00 O ATOM 463 OD2 ASP A 33 -16.231 0.749 -0.158 1.00 0.00 O ATOM 0 H ASP A 33 -11.908 -0.577 -1.709 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.266 -0.794 -3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.085 -1.080 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.751 0.632 -0.604 1.00 0.00 H new ATOM 468 N GLN A 34 -13.321 2.318 -2.601 1.00 0.00 N ATOM 469 CA GLN A 34 -13.426 3.692 -3.076 1.00 0.00 C ATOM 470 C GLN A 34 -12.837 3.831 -4.476 1.00 0.00 C ATOM 471 O GLN A 34 -13.542 4.173 -5.425 1.00 0.00 O ATOM 472 CB GLN A 34 -12.713 4.643 -2.113 1.00 0.00 C ATOM 473 CG GLN A 34 -13.577 5.086 -0.943 1.00 0.00 C ATOM 474 CD GLN A 34 -14.378 6.336 -1.251 1.00 0.00 C ATOM 475 OE1 GLN A 34 -13.836 7.335 -1.722 1.00 0.00 O ATOM 476 NE2 GLN A 34 -15.679 6.284 -0.985 1.00 0.00 N ATOM 0 H GLN A 34 -12.768 2.207 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.483 3.955 -3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.818 4.153 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.383 5.524 -2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.259 4.279 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.942 5.270 -0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.086 5.434 -0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.270 7.094 -1.171 1.00 0.00 H new ATOM 485 N GLY A 35 -11.541 3.563 -4.596 1.00 0.00 N ATOM 486 CA GLY A 35 -10.879 3.664 -5.884 1.00 0.00 C ATOM 487 C GLY A 35 -9.707 4.624 -5.860 1.00 0.00 C ATOM 488 O GLY A 35 -9.525 5.417 -6.784 1.00 0.00 O ATOM 0 H GLY A 35 -10.937 3.278 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.530 2.677 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.598 3.993 -6.634 1.00 0.00 H new ATOM 492 N ASP A 36 -8.910 4.555 -4.799 1.00 0.00 N ATOM 493 CA ASP A 36 -7.749 5.426 -4.658 1.00 0.00 C ATOM 494 C ASP A 36 -6.506 4.620 -4.293 1.00 0.00 C ATOM 495 O ASP A 36 -5.752 4.995 -3.393 1.00 0.00 O ATOM 496 CB ASP A 36 -8.010 6.493 -3.593 1.00 0.00 C ATOM 497 CG ASP A 36 -8.660 7.736 -4.168 1.00 0.00 C ATOM 498 OD1 ASP A 36 -9.889 7.713 -4.393 1.00 0.00 O ATOM 499 OD2 ASP A 36 -7.941 8.733 -4.393 1.00 0.00 O ATOM 0 H ASP A 36 -9.047 3.905 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.575 5.915 -5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.651 6.077 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.068 6.766 -3.117 1.00 0.00 H new ATOM 504 N CYS A 37 -6.298 3.512 -4.995 1.00 0.00 N ATOM 505 CA CYS A 37 -5.148 2.651 -4.745 1.00 0.00 C ATOM 506 C CYS A 37 -3.932 3.125 -5.534 1.00 0.00 C ATOM 507 O CYS A 37 -4.053 3.555 -6.683 1.00 0.00 O ATOM 508 CB CYS A 37 -5.479 1.204 -5.113 1.00 0.00 C ATOM 509 SG CYS A 37 -6.979 0.555 -4.308 1.00 0.00 S ATOM 0 H CYS A 37 -6.912 3.188 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.910 2.702 -3.682 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.601 1.134 -6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.633 0.570 -4.846 1.00 0.00 H new ATOM 514 N CYS A 38 -2.760 3.042 -4.914 1.00 0.00 N ATOM 515 CA CYS A 38 -1.522 3.461 -5.557 1.00 0.00 C ATOM 516 C CYS A 38 -1.380 2.819 -6.934 1.00 0.00 C ATOM 517 O CYS A 38 -2.131 1.909 -7.287 1.00 0.00 O ATOM 518 CB CYS A 38 -0.319 3.093 -4.684 1.00 0.00 C ATOM 519 SG CYS A 38 -0.244 3.996 -3.104 1.00 0.00 S ATOM 0 H CYS A 38 -2.642 2.687 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.555 4.543 -5.682 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.347 2.023 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.596 3.286 -5.244 1.00 0.00 H new ATOM 524 N ILE A 39 -0.411 3.299 -7.707 1.00 0.00 N ATOM 525 CA ILE A 39 -0.170 2.771 -9.045 1.00 0.00 C ATOM 526 C ILE A 39 0.395 1.355 -8.983 1.00 0.00 C ATOM 527 O ILE A 39 0.215 0.564 -9.908 1.00 0.00 O ATOM 528 CB ILE A 39 0.803 3.666 -9.836 1.00 0.00 C ATOM 529 CG1 ILE A 39 0.994 3.120 -11.252 1.00 0.00 C ATOM 530 CG2 ILE A 39 2.139 3.761 -9.115 1.00 0.00 C ATOM 531 CD1 ILE A 39 -0.216 3.310 -12.141 1.00 0.00 C ATOM 0 H ILE A 39 0.219 4.052 -7.430 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.132 2.754 -9.556 1.00 0.00 H new ATOM 0 HB ILE A 39 0.378 4.667 -9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.852 3.612 -11.710 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.229 2.057 -11.194 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.816 4.397 -9.686 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.988 4.189 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.572 2.765 -9.018 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.009 2.900 -13.129 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.072 2.794 -11.706 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.439 4.373 -12.229 1.00 0.00 H new ATOM 543 N ASN A 40 1.076 1.043 -7.886 1.00 0.00 N ATOM 544 CA ASN A 40 1.666 -0.278 -7.703 1.00 0.00 C ATOM 545 C ASN A 40 1.232 -0.888 -6.374 1.00 0.00 C ATOM 546 O ASN A 40 2.062 -1.178 -5.512 1.00 0.00 O ATOM 547 CB ASN A 40 3.193 -0.191 -7.763 1.00 0.00 C ATOM 548 CG ASN A 40 3.769 0.625 -6.623 1.00 0.00 C ATOM 549 OD1 ASN A 40 3.158 1.590 -6.163 1.00 0.00 O ATOM 550 ND2 ASN A 40 4.954 0.241 -6.161 1.00 0.00 N ATOM 0 H ASN A 40 1.233 1.686 -7.110 1.00 0.00 H new ATOM 0 HA ASN A 40 1.314 -0.921 -8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.613 -1.196 -7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.492 0.254 -8.712 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.393 0.752 -5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.425 -0.565 -6.572 1.00 0.00 H new ATOM 557 N TYR A 41 -0.072 -1.082 -6.216 1.00 0.00 N ATOM 558 CA TYR A 41 -0.618 -1.655 -4.992 1.00 0.00 C ATOM 559 C TYR A 41 -0.806 -3.162 -5.133 1.00 0.00 C ATOM 560 O TYR A 41 -0.460 -3.930 -4.235 1.00 0.00 O ATOM 561 CB TYR A 41 -1.953 -0.994 -4.643 1.00 0.00 C ATOM 562 CG TYR A 41 -2.648 -1.623 -3.458 1.00 0.00 C ATOM 563 CD1 TYR A 41 -3.337 -2.823 -3.587 1.00 0.00 C ATOM 564 CD2 TYR A 41 -2.618 -1.017 -2.208 1.00 0.00 C ATOM 565 CE1 TYR A 41 -3.974 -3.401 -2.507 1.00 0.00 C ATOM 566 CE2 TYR A 41 -3.252 -1.588 -1.121 1.00 0.00 C ATOM 567 CZ TYR A 41 -3.930 -2.780 -1.276 1.00 0.00 C ATOM 568 OH TYR A 41 -4.562 -3.353 -0.197 1.00 0.00 O ATOM 0 H TYR A 41 -0.772 -0.851 -6.921 1.00 0.00 H new ATOM 0 HA TYR A 41 0.093 -1.469 -4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.782 0.062 -4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.612 -1.046 -5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.375 -3.312 -4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.090 -0.083 -2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.504 -4.335 -2.625 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.217 -1.104 -0.156 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.942 -3.395 0.561 1.00 0.00 H new ATOM 578 N SER A 42 -1.357 -3.579 -6.269 1.00 0.00 N ATOM 579 CA SER A 42 -1.595 -4.995 -6.529 1.00 0.00 C ATOM 580 C SER A 42 -0.281 -5.732 -6.767 1.00 0.00 C ATOM 581 O SER A 42 -0.136 -6.898 -6.400 1.00 0.00 O ATOM 582 CB SER A 42 -2.514 -5.164 -7.740 1.00 0.00 C ATOM 583 OG SER A 42 -1.894 -4.691 -8.922 1.00 0.00 O ATOM 0 H SER A 42 -1.647 -2.957 -7.024 1.00 0.00 H new ATOM 0 HA SER A 42 -2.078 -5.425 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.774 -6.216 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.445 -4.622 -7.572 1.00 0.00 H new ATOM 0 HG SER A 42 -2.502 -4.812 -9.681 1.00 0.00 H new ATOM 589 N SER A 43 0.674 -5.042 -7.382 1.00 0.00 N ATOM 590 CA SER A 43 1.976 -5.632 -7.674 1.00 0.00 C ATOM 591 C SER A 43 2.780 -5.832 -6.393 1.00 0.00 C ATOM 592 O SER A 43 3.455 -6.848 -6.222 1.00 0.00 O ATOM 593 CB SER A 43 2.756 -4.744 -8.645 1.00 0.00 C ATOM 594 OG SER A 43 4.114 -5.139 -8.719 1.00 0.00 O ATOM 0 H SER A 43 0.571 -4.074 -7.688 1.00 0.00 H new ATOM 0 HA SER A 43 1.811 -6.605 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.304 -4.798 -9.635 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.693 -3.705 -8.322 1.00 0.00 H new ATOM 0 HG SER A 43 4.590 -4.557 -9.347 1.00 0.00 H new ATOM 600 N VAL A 44 2.702 -4.857 -5.493 1.00 0.00 N ATOM 601 CA VAL A 44 3.421 -4.925 -4.227 1.00 0.00 C ATOM 602 C VAL A 44 2.664 -5.772 -3.210 1.00 0.00 C ATOM 603 O VAL A 44 3.222 -6.694 -2.616 1.00 0.00 O ATOM 604 CB VAL A 44 3.654 -3.521 -3.637 1.00 0.00 C ATOM 605 CG1 VAL A 44 4.362 -3.617 -2.294 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.449 -2.661 -4.608 1.00 0.00 C ATOM 0 H VAL A 44 2.147 -4.010 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 44 4.386 -5.388 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 44 2.685 -3.047 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.518 -2.616 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.751 -4.195 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.325 -4.110 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.605 -1.673 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.414 -3.128 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.898 -2.565 -5.544 1.00 0.00 H new ATOM 616 N CYS A 45 1.389 -5.453 -3.016 1.00 0.00 N ATOM 617 CA CYS A 45 0.552 -6.184 -2.072 1.00 0.00 C ATOM 618 C CYS A 45 0.087 -7.508 -2.669 1.00 0.00 C ATOM 619 O CYS A 45 0.433 -8.580 -2.173 1.00 0.00 O ATOM 620 CB CYS A 45 -0.658 -5.339 -1.669 1.00 0.00 C ATOM 621 SG CYS A 45 -0.230 -3.756 -0.878 1.00 0.00 S ATOM 0 H CYS A 45 0.912 -4.692 -3.500 1.00 0.00 H new ATOM 0 HA CYS A 45 1.149 -6.396 -1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.259 -5.139 -2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.280 -5.917 -0.986 1.00 0.00 H new ATOM 626 N GLN A 46 -0.699 -7.425 -3.737 1.00 0.00 N ATOM 627 CA GLN A 46 -1.213 -8.617 -4.403 1.00 0.00 C ATOM 628 C GLN A 46 -0.157 -9.226 -5.319 1.00 0.00 C ATOM 629 O GLN A 46 -0.450 -9.613 -6.450 1.00 0.00 O ATOM 630 CB GLN A 46 -2.468 -8.277 -5.207 1.00 0.00 C ATOM 631 CG GLN A 46 -3.630 -7.801 -4.349 1.00 0.00 C ATOM 632 CD GLN A 46 -4.959 -7.875 -5.074 1.00 0.00 C ATOM 633 OE1 GLN A 46 -5.328 -8.919 -5.613 1.00 0.00 O ATOM 634 NE2 GLN A 46 -5.687 -6.764 -5.090 1.00 0.00 N ATOM 0 H GLN A 46 -0.994 -6.545 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.469 -9.349 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.224 -7.504 -5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.779 -9.158 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.680 -8.406 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.448 -6.773 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.342 -5.921 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.591 -6.753 -5.562 1.00 0.00 H new ATOM 643 N GLY A 47 1.075 -9.308 -4.824 1.00 0.00 N ATOM 644 CA GLY A 47 2.155 -9.870 -5.612 1.00 0.00 C ATOM 645 C GLY A 47 2.174 -11.385 -5.572 1.00 0.00 C ATOM 646 O GLY A 47 1.127 -12.027 -5.652 1.00 0.00 O ATOM 0 H GLY A 47 1.343 -8.995 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.057 -9.538 -6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.107 -9.488 -5.243 1.00 0.00 H new ATOM 650 N GLU A 48 3.368 -11.958 -5.451 1.00 0.00 N ATOM 651 CA GLU A 48 3.517 -13.408 -5.404 1.00 0.00 C ATOM 652 C GLU A 48 3.690 -13.890 -3.966 1.00 0.00 C ATOM 653 O GLU A 48 4.806 -13.943 -3.447 1.00 0.00 O ATOM 654 CB GLU A 48 4.716 -13.847 -6.248 1.00 0.00 C ATOM 655 CG GLU A 48 4.645 -15.298 -6.696 1.00 0.00 C ATOM 656 CD GLU A 48 4.694 -16.269 -5.533 1.00 0.00 C ATOM 657 OE1 GLU A 48 5.482 -16.031 -4.594 1.00 0.00 O ATOM 658 OE2 GLU A 48 3.944 -17.267 -5.562 1.00 0.00 O ATOM 0 H GLU A 48 4.245 -11.441 -5.384 1.00 0.00 H new ATOM 0 HA GLU A 48 2.611 -13.855 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.785 -13.207 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.629 -13.697 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.725 -15.456 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.473 -15.506 -7.374 1.00 0.00 H new ATOM 665 N LYS A 49 2.579 -14.242 -3.329 1.00 0.00 N ATOM 666 CA LYS A 49 2.606 -14.721 -1.952 1.00 0.00 C ATOM 667 C LYS A 49 2.583 -16.246 -1.906 1.00 0.00 C ATOM 668 O LYS A 49 1.531 -16.855 -1.711 1.00 0.00 O ATOM 669 CB LYS A 49 1.415 -14.159 -1.171 1.00 0.00 C ATOM 670 CG LYS A 49 1.691 -13.976 0.311 1.00 0.00 C ATOM 671 CD LYS A 49 0.413 -13.705 1.087 1.00 0.00 C ATOM 672 CE LYS A 49 0.632 -13.839 2.586 1.00 0.00 C ATOM 673 NZ LYS A 49 1.244 -12.614 3.169 1.00 0.00 N ATOM 0 H LYS A 49 1.648 -14.205 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 49 3.531 -14.375 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.131 -13.198 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.563 -14.828 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.174 -14.870 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.386 -13.149 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.054 -12.702 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.362 -14.401 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.321 -14.037 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.276 -14.696 2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.377 -12.746 4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.165 -12.439 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.618 -11.800 3.003 1.00 0.00 H new ATOM 687 N SER A 50 3.750 -16.856 -2.085 1.00 0.00 N ATOM 688 CA SER A 50 3.863 -18.310 -2.066 1.00 0.00 C ATOM 689 C SER A 50 5.322 -18.743 -2.171 1.00 0.00 C ATOM 690 O SER A 50 5.928 -18.666 -3.240 1.00 0.00 O ATOM 691 CB SER A 50 3.055 -18.920 -3.211 1.00 0.00 C ATOM 692 OG SER A 50 2.667 -20.250 -2.910 1.00 0.00 O ATOM 0 H SER A 50 4.630 -16.366 -2.245 1.00 0.00 H new ATOM 0 HA SER A 50 3.463 -18.668 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.169 -18.313 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.648 -18.909 -4.125 1.00 0.00 H new ATOM 0 HG SER A 50 2.150 -20.617 -3.657 1.00 0.00 H new ATOM 698 N SER A 51 5.881 -19.197 -1.054 1.00 0.00 N ATOM 699 CA SER A 51 7.270 -19.639 -1.019 1.00 0.00 C ATOM 700 C SER A 51 7.360 -21.120 -0.658 1.00 0.00 C ATOM 701 O SER A 51 8.212 -21.527 0.130 1.00 0.00 O ATOM 702 CB SER A 51 8.066 -18.808 -0.010 1.00 0.00 C ATOM 703 OG SER A 51 7.697 -19.130 1.321 1.00 0.00 O ATOM 0 H SER A 51 5.393 -19.268 -0.161 1.00 0.00 H new ATOM 0 HA SER A 51 7.696 -19.498 -2.012 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.132 -18.986 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.894 -17.747 -0.192 1.00 0.00 H new ATOM 0 HG SER A 51 8.221 -18.587 1.946 1.00 0.00 H new ATOM 709 N GLY A 52 6.473 -21.919 -1.243 1.00 0.00 N ATOM 710 CA GLY A 52 6.469 -23.345 -0.972 1.00 0.00 C ATOM 711 C GLY A 52 5.187 -23.804 -0.306 1.00 0.00 C ATOM 712 O GLY A 52 5.154 -24.095 0.890 1.00 0.00 O ATOM 0 H GLY A 52 5.758 -21.605 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.605 -23.890 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.316 -23.593 -0.332 1.00 0.00 H new ATOM 716 N PRO A 53 4.101 -23.875 -1.090 1.00 0.00 N ATOM 717 CA PRO A 53 2.791 -24.301 -0.589 1.00 0.00 C ATOM 718 C PRO A 53 2.756 -25.785 -0.242 1.00 0.00 C ATOM 719 O PRO A 53 2.327 -26.168 0.846 1.00 0.00 O ATOM 720 CB PRO A 53 1.850 -24.003 -1.760 1.00 0.00 C ATOM 721 CG PRO A 53 2.723 -24.048 -2.967 1.00 0.00 C ATOM 722 CD PRO A 53 4.068 -23.544 -2.524 1.00 0.00 C ATOM 0 HA PRO A 53 2.522 -23.788 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.050 -24.740 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.377 -23.027 -1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.796 -25.063 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.317 -23.427 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.878 -24.030 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.170 -22.472 -2.691 1.00 0.00 H new ATOM 730 N SER A 54 3.213 -26.616 -1.174 1.00 0.00 N ATOM 731 CA SER A 54 3.232 -28.060 -0.967 1.00 0.00 C ATOM 732 C SER A 54 4.156 -28.740 -1.973 1.00 0.00 C ATOM 733 O SER A 54 4.305 -28.280 -3.105 1.00 0.00 O ATOM 734 CB SER A 54 1.818 -28.632 -1.088 1.00 0.00 C ATOM 735 OG SER A 54 1.071 -28.399 0.094 1.00 0.00 O ATOM 0 H SER A 54 3.575 -26.315 -2.079 1.00 0.00 H new ATOM 0 HA SER A 54 3.610 -28.254 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.310 -28.178 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.871 -29.703 -1.283 1.00 0.00 H new ATOM 0 HG SER A 54 1.554 -27.768 0.667 1.00 0.00 H new ATOM 741 N SER A 55 4.773 -29.839 -1.552 1.00 0.00 N ATOM 742 CA SER A 55 5.686 -30.582 -2.413 1.00 0.00 C ATOM 743 C SER A 55 4.914 -31.391 -3.451 1.00 0.00 C ATOM 744 O SER A 55 3.701 -31.566 -3.343 1.00 0.00 O ATOM 745 CB SER A 55 6.566 -31.513 -1.576 1.00 0.00 C ATOM 746 OG SER A 55 7.340 -30.779 -0.642 1.00 0.00 O ATOM 0 H SER A 55 4.657 -30.235 -0.619 1.00 0.00 H new ATOM 0 HA SER A 55 6.321 -29.865 -2.934 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.941 -32.233 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.225 -32.083 -2.231 1.00 0.00 H new ATOM 0 HG SER A 55 7.892 -31.396 -0.118 1.00 0.00 H new ATOM 752 N GLY A 56 5.628 -31.882 -4.460 1.00 0.00 N ATOM 753 CA GLY A 56 4.996 -32.666 -5.504 1.00 0.00 C ATOM 754 C GLY A 56 4.048 -31.843 -6.353 1.00 0.00 C ATOM 755 O GLY A 56 4.090 -30.613 -6.328 1.00 0.00 O ATOM 0 H GLY A 56 6.633 -31.750 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.764 -33.102 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.449 -33.493 -5.052 1.00 0.00 H new TER 759 GLY A 56