USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=18 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 Set 1.1: A 40 ASN : amide:sc= -3.89! C(o=-3.9!,f=-4.3!) USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -111:sc= -0.527 (180deg=0) USER MOD Set 2.2: A 46 GLN : amide:sc= -1.04 K(o=-1.6,f=0.83) USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0277 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.24 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 34:sc= 0.284 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 12 LYS NZ :NH3+ -109:sc= 0.0468 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.000105 USER MOD Single : A 23 SER OG : rot -160:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= -0.0971 (180deg=-0.0971) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.923 20.213 8.769 1.00 0.00 N ATOM 2 CA GLY A 1 12.719 19.410 8.663 1.00 0.00 C ATOM 3 C GLY A 1 12.997 18.013 8.144 1.00 0.00 C ATOM 4 O GLY A 1 13.922 17.809 7.356 1.00 0.00 O ATOM 0 H1 GLY A 1 13.705 21.200 8.524 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.284 20.170 9.743 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.644 19.846 8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.244 19.343 9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.012 19.907 7.999 1.00 0.00 H new ATOM 8 N SER A 2 12.198 17.048 8.586 1.00 0.00 N ATOM 9 CA SER A 2 12.366 15.663 8.164 1.00 0.00 C ATOM 10 C SER A 2 11.970 15.487 6.701 1.00 0.00 C ATOM 11 O SER A 2 10.875 15.874 6.293 1.00 0.00 O ATOM 12 CB SER A 2 11.529 14.734 9.045 1.00 0.00 C ATOM 13 OG SER A 2 10.143 14.947 8.840 1.00 0.00 O ATOM 0 H SER A 2 11.427 17.200 9.237 1.00 0.00 H new ATOM 0 HA SER A 2 13.419 15.403 8.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.777 13.696 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.775 14.903 10.093 1.00 0.00 H new ATOM 0 HG SER A 2 9.998 15.314 7.943 1.00 0.00 H new ATOM 19 N SER A 3 12.869 14.902 5.917 1.00 0.00 N ATOM 20 CA SER A 3 12.617 14.679 4.498 1.00 0.00 C ATOM 21 C SER A 3 11.276 13.984 4.289 1.00 0.00 C ATOM 22 O SER A 3 10.845 13.178 5.113 1.00 0.00 O ATOM 23 CB SER A 3 13.740 13.841 3.885 1.00 0.00 C ATOM 24 OG SER A 3 14.930 14.599 3.755 1.00 0.00 O ATOM 0 H SER A 3 13.779 14.574 6.240 1.00 0.00 H new ATOM 0 HA SER A 3 12.586 15.649 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.928 12.967 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.431 13.473 2.907 1.00 0.00 H new ATOM 0 HG SER A 3 15.633 14.040 3.362 1.00 0.00 H new ATOM 30 N GLY A 4 10.618 14.302 3.177 1.00 0.00 N ATOM 31 CA GLY A 4 9.333 13.701 2.877 1.00 0.00 C ATOM 32 C GLY A 4 8.978 13.791 1.406 1.00 0.00 C ATOM 33 O GLY A 4 8.176 14.633 1.005 1.00 0.00 O ATOM 0 H GLY A 4 10.954 14.966 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.346 12.654 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.559 14.194 3.465 1.00 0.00 H new ATOM 37 N SER A 5 9.580 12.922 0.600 1.00 0.00 N ATOM 38 CA SER A 5 9.328 12.911 -0.836 1.00 0.00 C ATOM 39 C SER A 5 8.014 12.204 -1.152 1.00 0.00 C ATOM 40 O SER A 5 7.732 11.128 -0.624 1.00 0.00 O ATOM 41 CB SER A 5 10.480 12.224 -1.572 1.00 0.00 C ATOM 42 OG SER A 5 10.637 10.885 -1.135 1.00 0.00 O ATOM 0 H SER A 5 10.245 12.217 0.917 1.00 0.00 H new ATOM 0 HA SER A 5 9.255 13.944 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.291 12.240 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.405 12.776 -1.403 1.00 0.00 H new ATOM 0 HG SER A 5 11.378 10.467 -1.621 1.00 0.00 H new ATOM 48 N SER A 6 7.211 12.818 -2.017 1.00 0.00 N ATOM 49 CA SER A 6 5.924 12.251 -2.400 1.00 0.00 C ATOM 50 C SER A 6 6.111 11.092 -3.374 1.00 0.00 C ATOM 51 O SER A 6 6.711 11.249 -4.437 1.00 0.00 O ATOM 52 CB SER A 6 5.038 13.326 -3.033 1.00 0.00 C ATOM 53 OG SER A 6 5.650 13.879 -4.185 1.00 0.00 O ATOM 0 H SER A 6 7.430 13.708 -2.465 1.00 0.00 H new ATOM 0 HA SER A 6 5.438 11.873 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.074 12.895 -3.301 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.843 14.115 -2.307 1.00 0.00 H new ATOM 0 HG SER A 6 6.165 13.185 -4.647 1.00 0.00 H new ATOM 59 N GLY A 7 5.591 9.925 -3.003 1.00 0.00 N ATOM 60 CA GLY A 7 5.709 8.756 -3.853 1.00 0.00 C ATOM 61 C GLY A 7 4.362 8.163 -4.217 1.00 0.00 C ATOM 62 O GLY A 7 3.322 8.655 -3.780 1.00 0.00 O ATOM 0 H GLY A 7 5.090 9.769 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.241 9.026 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.309 8.001 -3.345 1.00 0.00 H new ATOM 66 N TRP A 8 4.381 7.106 -5.021 1.00 0.00 N ATOM 67 CA TRP A 8 3.150 6.448 -5.444 1.00 0.00 C ATOM 68 C TRP A 8 3.190 4.959 -5.119 1.00 0.00 C ATOM 69 O TRP A 8 2.229 4.403 -4.585 1.00 0.00 O ATOM 70 CB TRP A 8 2.930 6.648 -6.945 1.00 0.00 C ATOM 71 CG TRP A 8 2.390 8.003 -7.290 1.00 0.00 C ATOM 72 CD1 TRP A 8 3.110 9.147 -7.489 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.015 8.355 -7.474 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.265 10.188 -7.787 1.00 0.00 N ATOM 75 CE2 TRP A 8 0.975 9.730 -7.784 1.00 0.00 C ATOM 76 CE3 TRP A 8 -0.186 7.645 -7.410 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.220 10.402 -8.027 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -1.370 8.314 -7.651 1.00 0.00 C ATOM 79 CH2 TRP A 8 -1.380 9.682 -7.957 1.00 0.00 C ATOM 0 H TRP A 8 5.233 6.687 -5.393 1.00 0.00 H new ATOM 0 HA TRP A 8 2.321 6.899 -4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.875 6.498 -7.467 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.240 5.886 -7.309 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.185 9.222 -7.422 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.552 11.148 -7.979 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.189 6.591 -7.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.230 11.456 -8.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.304 7.774 -7.603 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.322 10.177 -8.141 1.00 0.00 H new ATOM 90 N THR A 9 4.307 4.315 -5.443 1.00 0.00 N ATOM 91 CA THR A 9 4.472 2.891 -5.186 1.00 0.00 C ATOM 92 C THR A 9 4.056 2.538 -3.762 1.00 0.00 C ATOM 93 O THR A 9 3.925 3.415 -2.908 1.00 0.00 O ATOM 94 CB THR A 9 5.928 2.443 -5.410 1.00 0.00 C ATOM 95 OG1 THR A 9 6.802 3.162 -4.532 1.00 0.00 O ATOM 96 CG2 THR A 9 6.349 2.674 -6.854 1.00 0.00 C ATOM 0 H THR A 9 5.112 4.759 -5.885 1.00 0.00 H new ATOM 0 HA THR A 9 3.827 2.366 -5.891 1.00 0.00 H new ATOM 0 HB THR A 9 5.994 1.376 -5.195 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.726 2.870 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.381 2.350 -6.988 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.700 2.103 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.268 3.735 -7.091 1.00 0.00 H new ATOM 104 N CYS A 10 3.853 1.249 -3.513 1.00 0.00 N ATOM 105 CA CYS A 10 3.453 0.779 -2.191 1.00 0.00 C ATOM 106 C CYS A 10 4.494 -0.178 -1.617 1.00 0.00 C ATOM 107 O CYS A 10 5.146 -0.917 -2.353 1.00 0.00 O ATOM 108 CB CYS A 10 2.092 0.085 -2.264 1.00 0.00 C ATOM 109 SG CYS A 10 0.682 1.228 -2.418 1.00 0.00 S ATOM 0 H CYS A 10 3.959 0.511 -4.209 1.00 0.00 H new ATOM 0 HA CYS A 10 3.377 1.644 -1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.089 -0.596 -3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.957 -0.523 -1.369 1.00 0.00 H new ATOM 114 N ASN A 11 4.644 -0.157 -0.296 1.00 0.00 N ATOM 115 CA ASN A 11 5.606 -1.022 0.379 1.00 0.00 C ATOM 116 C ASN A 11 4.896 -2.150 1.121 1.00 0.00 C ATOM 117 O ASN A 11 3.774 -1.982 1.600 1.00 0.00 O ATOM 118 CB ASN A 11 6.457 -0.208 1.356 1.00 0.00 C ATOM 119 CG ASN A 11 7.785 -0.874 1.658 1.00 0.00 C ATOM 120 OD1 ASN A 11 8.591 -1.113 0.758 1.00 0.00 O ATOM 121 ND2 ASN A 11 8.019 -1.177 2.929 1.00 0.00 N ATOM 0 H ASN A 11 4.112 0.449 0.328 1.00 0.00 H new ATOM 0 HA ASN A 11 6.255 -1.462 -0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.637 0.783 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.904 -0.067 2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.896 -1.626 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.322 -0.960 3.642 1.00 0.00 H new ATOM 128 N LYS A 12 5.556 -3.298 1.213 1.00 0.00 N ATOM 129 CA LYS A 12 4.992 -4.454 1.899 1.00 0.00 C ATOM 130 C LYS A 12 4.230 -4.026 3.149 1.00 0.00 C ATOM 131 O LYS A 12 3.076 -4.408 3.346 1.00 0.00 O ATOM 132 CB LYS A 12 6.098 -5.441 2.276 1.00 0.00 C ATOM 133 CG LYS A 12 6.557 -6.312 1.120 1.00 0.00 C ATOM 134 CD LYS A 12 7.102 -7.644 1.607 1.00 0.00 C ATOM 135 CE LYS A 12 8.062 -8.257 0.598 1.00 0.00 C ATOM 136 NZ LYS A 12 7.352 -8.750 -0.614 1.00 0.00 N ATOM 0 H LYS A 12 6.484 -3.453 0.820 1.00 0.00 H new ATOM 0 HA LYS A 12 4.295 -4.943 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.952 -4.886 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.742 -6.081 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.722 -6.486 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.326 -5.789 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.614 -7.502 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.276 -8.332 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.805 -7.515 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.601 -9.082 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.356 -9.790 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.370 -8.408 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.833 -8.397 -1.466 1.00 0.00 H new ATOM 150 N PHE A 13 4.881 -3.231 3.991 1.00 0.00 N ATOM 151 CA PHE A 13 4.264 -2.751 5.221 1.00 0.00 C ATOM 152 C PHE A 13 3.024 -1.916 4.919 1.00 0.00 C ATOM 153 O PHE A 13 1.965 -2.122 5.511 1.00 0.00 O ATOM 154 CB PHE A 13 5.266 -1.921 6.029 1.00 0.00 C ATOM 155 CG PHE A 13 6.418 -2.725 6.562 1.00 0.00 C ATOM 156 CD1 PHE A 13 6.203 -3.747 7.472 1.00 0.00 C ATOM 157 CD2 PHE A 13 7.714 -2.458 6.153 1.00 0.00 C ATOM 158 CE1 PHE A 13 7.261 -4.488 7.965 1.00 0.00 C ATOM 159 CE2 PHE A 13 8.776 -3.196 6.641 1.00 0.00 C ATOM 160 CZ PHE A 13 8.549 -4.213 7.548 1.00 0.00 C ATOM 0 H PHE A 13 5.836 -2.905 3.844 1.00 0.00 H new ATOM 0 HA PHE A 13 3.962 -3.618 5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.653 -1.120 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.746 -1.449 6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.198 -3.967 7.800 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.897 -1.664 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.081 -5.281 8.676 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.782 -2.978 6.314 1.00 0.00 H new ATOM 0 HZ PHE A 13 9.377 -4.792 7.930 1.00 0.00 H new ATOM 170 N ARG A 14 3.164 -0.972 3.993 1.00 0.00 N ATOM 171 CA ARG A 14 2.056 -0.105 3.612 1.00 0.00 C ATOM 172 C ARG A 14 0.772 -0.910 3.433 1.00 0.00 C ATOM 173 O ARG A 14 -0.273 -0.563 3.983 1.00 0.00 O ATOM 174 CB ARG A 14 2.386 0.643 2.320 1.00 0.00 C ATOM 175 CG ARG A 14 3.561 1.599 2.452 1.00 0.00 C ATOM 176 CD ARG A 14 3.194 2.818 3.285 1.00 0.00 C ATOM 177 NE ARG A 14 3.308 2.556 4.717 1.00 0.00 N ATOM 178 CZ ARG A 14 2.958 3.431 5.653 1.00 0.00 C ATOM 179 NH1 ARG A 14 2.474 4.617 5.310 1.00 0.00 N ATOM 180 NH2 ARG A 14 3.091 3.120 6.937 1.00 0.00 N ATOM 0 H ARG A 14 4.034 -0.789 3.493 1.00 0.00 H new ATOM 0 HA ARG A 14 1.902 0.618 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.605 -0.082 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.507 1.203 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.403 1.082 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.886 1.918 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.844 3.650 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.174 3.122 3.052 1.00 0.00 H new ATOM 0 HE ARG A 14 3.676 1.652 5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.369 4.860 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.206 5.287 6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.462 2.209 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.822 3.793 7.655 1.00 0.00 H new ATOM 194 N CYS A 15 0.859 -1.986 2.658 1.00 0.00 N ATOM 195 CA CYS A 15 -0.294 -2.841 2.405 1.00 0.00 C ATOM 196 C CYS A 15 -1.066 -3.111 3.694 1.00 0.00 C ATOM 197 O CYS A 15 -0.687 -3.971 4.487 1.00 0.00 O ATOM 198 CB CYS A 15 0.152 -4.164 1.778 1.00 0.00 C ATOM 199 SG CYS A 15 1.066 -3.974 0.214 1.00 0.00 S ATOM 0 H CYS A 15 1.716 -2.286 2.194 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.953 -2.321 1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.780 -4.698 2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.727 -4.784 1.600 1.00 0.00 H new ATOM 204 N GLY A 16 -2.152 -2.371 3.893 1.00 0.00 N ATOM 205 CA GLY A 16 -2.959 -2.544 5.087 1.00 0.00 C ATOM 206 C GLY A 16 -2.854 -1.366 6.035 1.00 0.00 C ATOM 207 O GLY A 16 -2.538 -1.535 7.212 1.00 0.00 O ATOM 0 H GLY A 16 -2.488 -1.655 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.001 -2.683 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.647 -3.451 5.604 1.00 0.00 H new ATOM 211 N GLU A 17 -3.119 -0.169 5.520 1.00 0.00 N ATOM 212 CA GLU A 17 -3.050 1.041 6.330 1.00 0.00 C ATOM 213 C GLU A 17 -4.439 1.636 6.540 1.00 0.00 C ATOM 214 O GLU A 17 -5.429 1.135 6.006 1.00 0.00 O ATOM 215 CB GLU A 17 -2.136 2.074 5.667 1.00 0.00 C ATOM 216 CG GLU A 17 -2.728 2.693 4.411 1.00 0.00 C ATOM 217 CD GLU A 17 -2.125 4.047 4.088 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.976 4.298 4.507 1.00 0.00 O ATOM 219 OE2 GLU A 17 -2.801 4.853 3.417 1.00 0.00 O ATOM 0 H GLU A 17 -3.383 -0.012 4.547 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.638 0.773 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.917 2.866 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.187 1.599 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.570 2.019 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.806 2.800 4.536 1.00 0.00 H new ATOM 226 N LYS A 18 -4.506 2.708 7.322 1.00 0.00 N ATOM 227 CA LYS A 18 -5.773 3.374 7.603 1.00 0.00 C ATOM 228 C LYS A 18 -6.200 4.248 6.429 1.00 0.00 C ATOM 229 O LYS A 18 -5.437 4.452 5.484 1.00 0.00 O ATOM 230 CB LYS A 18 -5.655 4.223 8.870 1.00 0.00 C ATOM 231 CG LYS A 18 -5.822 3.428 10.154 1.00 0.00 C ATOM 232 CD LYS A 18 -4.546 2.687 10.519 1.00 0.00 C ATOM 233 CE LYS A 18 -4.433 2.480 12.021 1.00 0.00 C ATOM 234 NZ LYS A 18 -3.021 2.280 12.449 1.00 0.00 N ATOM 0 H LYS A 18 -3.697 3.135 7.773 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.533 2.607 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.681 4.712 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.407 5.011 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.099 4.100 10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.638 2.715 10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.528 1.721 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.683 3.249 10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.851 3.343 12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.027 1.614 12.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.987 2.142 13.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.630 1.441 11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.459 3.116 12.193 1.00 0.00 H new ATOM 248 N ARG A 19 -7.423 4.764 6.496 1.00 0.00 N ATOM 249 CA ARG A 19 -7.952 5.617 5.439 1.00 0.00 C ATOM 250 C ARG A 19 -7.286 6.989 5.463 1.00 0.00 C ATOM 251 O ARG A 19 -7.713 7.885 6.192 1.00 0.00 O ATOM 252 CB ARG A 19 -9.467 5.771 5.586 1.00 0.00 C ATOM 253 CG ARG A 19 -10.143 6.350 4.355 1.00 0.00 C ATOM 254 CD ARG A 19 -10.061 7.869 4.338 1.00 0.00 C ATOM 255 NE ARG A 19 -10.789 8.468 5.453 1.00 0.00 N ATOM 256 CZ ARG A 19 -12.094 8.720 5.429 1.00 0.00 C ATOM 257 NH1 ARG A 19 -12.809 8.424 4.354 1.00 0.00 N ATOM 258 NH2 ARG A 19 -12.683 9.269 6.484 1.00 0.00 N ATOM 0 H ARG A 19 -8.066 4.606 7.272 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.734 5.143 4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.903 4.796 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.677 6.413 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.672 5.949 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.188 6.040 4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.016 8.176 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.466 8.244 3.398 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.268 8.706 6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.358 8.002 3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.810 8.618 4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.134 9.497 7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.684 9.462 6.466 1.00 0.00 H new ATOM 272 N LEU A 20 -6.238 7.147 4.663 1.00 0.00 N ATOM 273 CA LEU A 20 -5.511 8.410 4.593 1.00 0.00 C ATOM 274 C LEU A 20 -6.417 9.531 4.094 1.00 0.00 C ATOM 275 O LEU A 20 -7.410 9.284 3.410 1.00 0.00 O ATOM 276 CB LEU A 20 -4.296 8.273 3.674 1.00 0.00 C ATOM 277 CG LEU A 20 -2.999 7.813 4.341 1.00 0.00 C ATOM 278 CD1 LEU A 20 -1.954 7.465 3.292 1.00 0.00 C ATOM 279 CD2 LEU A 20 -2.474 8.887 5.281 1.00 0.00 C ATOM 0 H LEU A 20 -5.872 6.416 4.053 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.171 8.661 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.543 7.568 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.115 9.237 3.198 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.211 6.918 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.038 7.140 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.329 6.662 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.745 8.343 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.551 8.543 5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.278 9.799 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.216 9.090 6.053 1.00 0.00 H new ATOM 291 N THR A 21 -6.064 10.767 4.437 1.00 0.00 N ATOM 292 CA THR A 21 -6.843 11.926 4.023 1.00 0.00 C ATOM 293 C THR A 21 -6.097 12.746 2.976 1.00 0.00 C ATOM 294 O THR A 21 -6.652 13.090 1.933 1.00 0.00 O ATOM 295 CB THR A 21 -7.182 12.833 5.222 1.00 0.00 C ATOM 296 OG1 THR A 21 -5.994 13.125 5.965 1.00 0.00 O ATOM 297 CG2 THR A 21 -8.204 12.168 6.131 1.00 0.00 C ATOM 0 H THR A 21 -5.243 10.990 5.000 1.00 0.00 H new ATOM 0 HA THR A 21 -7.768 11.546 3.591 1.00 0.00 H new ATOM 0 HB THR A 21 -7.609 13.760 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.217 13.703 6.724 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.428 12.827 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.118 11.973 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.800 11.227 6.506 1.00 0.00 H new ATOM 305 N ARG A 22 -4.836 13.053 3.261 1.00 0.00 N ATOM 306 CA ARG A 22 -4.014 13.833 2.343 1.00 0.00 C ATOM 307 C ARG A 22 -2.930 12.963 1.713 1.00 0.00 C ATOM 308 O ARG A 22 -1.799 12.913 2.199 1.00 0.00 O ATOM 309 CB ARG A 22 -3.374 15.013 3.076 1.00 0.00 C ATOM 310 CG ARG A 22 -4.372 16.076 3.506 1.00 0.00 C ATOM 311 CD ARG A 22 -4.825 16.925 2.329 1.00 0.00 C ATOM 312 NE ARG A 22 -5.730 17.994 2.741 1.00 0.00 N ATOM 313 CZ ARG A 22 -7.036 17.825 2.912 1.00 0.00 C ATOM 314 NH1 ARG A 22 -7.588 16.637 2.707 1.00 0.00 N ATOM 315 NH2 ARG A 22 -7.796 18.846 3.289 1.00 0.00 N ATOM 0 H ARG A 22 -4.361 12.774 4.120 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.658 14.213 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.849 14.642 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.626 15.470 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.237 15.599 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.920 16.715 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.954 17.357 1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.323 16.291 1.595 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.338 18.921 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.009 15.849 2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.592 16.511 2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.377 19.762 3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.799 18.714 3.420 1.00 0.00 H new ATOM 329 N SER A 23 -3.282 12.280 0.629 1.00 0.00 N ATOM 330 CA SER A 23 -2.340 11.410 -0.065 1.00 0.00 C ATOM 331 C SER A 23 -2.823 11.108 -1.481 1.00 0.00 C ATOM 332 O SER A 23 -4.023 10.971 -1.725 1.00 0.00 O ATOM 333 CB SER A 23 -2.153 10.105 0.711 1.00 0.00 C ATOM 334 OG SER A 23 -0.855 9.573 0.507 1.00 0.00 O ATOM 0 H SER A 23 -4.212 12.312 0.212 1.00 0.00 H new ATOM 0 HA SER A 23 -1.383 11.927 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.313 10.284 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.901 9.379 0.394 1.00 0.00 H new ATOM 0 HG SER A 23 -0.853 8.619 0.733 1.00 0.00 H new ATOM 340 N LEU A 24 -1.879 11.006 -2.412 1.00 0.00 N ATOM 341 CA LEU A 24 -2.207 10.720 -3.804 1.00 0.00 C ATOM 342 C LEU A 24 -3.006 9.426 -3.921 1.00 0.00 C ATOM 343 O LEU A 24 -4.000 9.361 -4.644 1.00 0.00 O ATOM 344 CB LEU A 24 -0.928 10.621 -4.638 1.00 0.00 C ATOM 345 CG LEU A 24 -0.014 11.847 -4.613 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.324 11.528 -5.263 1.00 0.00 C ATOM 347 CD2 LEU A 24 -0.681 13.024 -5.309 1.00 0.00 C ATOM 0 H LEU A 24 -0.882 11.117 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.820 11.538 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.357 9.760 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.207 10.422 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 24 0.167 12.121 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.961 12.412 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.807 10.715 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.163 11.228 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.016 13.887 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.892 12.762 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.613 13.268 -4.799 1.00 0.00 H new ATOM 359 N CYS A 25 -2.564 8.398 -3.205 1.00 0.00 N ATOM 360 CA CYS A 25 -3.238 7.105 -3.227 1.00 0.00 C ATOM 361 C CYS A 25 -3.190 6.443 -1.852 1.00 0.00 C ATOM 362 O CYS A 25 -2.592 6.975 -0.916 1.00 0.00 O ATOM 363 CB CYS A 25 -2.595 6.189 -4.269 1.00 0.00 C ATOM 364 SG CYS A 25 -0.795 5.989 -4.074 1.00 0.00 S ATOM 0 H CYS A 25 -1.742 8.435 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.281 7.272 -3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.067 5.208 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.800 6.587 -5.263 1.00 0.00 H new ATOM 369 N ALA A 26 -3.821 5.280 -1.739 1.00 0.00 N ATOM 370 CA ALA A 26 -3.849 4.544 -0.482 1.00 0.00 C ATOM 371 C ALA A 26 -3.414 3.096 -0.683 1.00 0.00 C ATOM 372 O ALA A 26 -3.881 2.418 -1.599 1.00 0.00 O ATOM 373 CB ALA A 26 -5.240 4.599 0.133 1.00 0.00 C ATOM 0 H ALA A 26 -4.320 4.826 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.143 5.016 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.245 4.045 1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.513 5.637 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.960 4.155 -0.555 1.00 0.00 H new ATOM 379 N CYS A 27 -2.517 2.627 0.178 1.00 0.00 N ATOM 380 CA CYS A 27 -2.017 1.260 0.095 1.00 0.00 C ATOM 381 C CYS A 27 -2.776 0.345 1.051 1.00 0.00 C ATOM 382 O CYS A 27 -2.180 -0.492 1.730 1.00 0.00 O ATOM 383 CB CYS A 27 -0.522 1.221 0.413 1.00 0.00 C ATOM 384 SG CYS A 27 0.502 2.236 -0.701 1.00 0.00 S ATOM 0 H CYS A 27 -2.121 3.174 0.942 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.174 0.903 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.370 1.560 1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.178 0.188 0.365 1.00 0.00 H new ATOM 389 N SER A 28 -4.094 0.510 1.099 1.00 0.00 N ATOM 390 CA SER A 28 -4.935 -0.299 1.974 1.00 0.00 C ATOM 391 C SER A 28 -6.059 -0.963 1.185 1.00 0.00 C ATOM 392 O SER A 28 -6.365 -0.564 0.062 1.00 0.00 O ATOM 393 CB SER A 28 -5.522 0.564 3.092 1.00 0.00 C ATOM 394 OG SER A 28 -6.228 1.673 2.564 1.00 0.00 O ATOM 0 H SER A 28 -4.603 1.197 0.542 1.00 0.00 H new ATOM 0 HA SER A 28 -4.314 -1.079 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.191 -0.038 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.721 0.915 3.743 1.00 0.00 H new ATOM 0 HG SER A 28 -6.595 2.207 3.299 1.00 0.00 H new ATOM 400 N ASP A 29 -6.670 -1.980 1.783 1.00 0.00 N ATOM 401 CA ASP A 29 -7.763 -2.701 1.138 1.00 0.00 C ATOM 402 C ASP A 29 -8.900 -1.752 0.774 1.00 0.00 C ATOM 403 O ASP A 29 -9.452 -1.820 -0.324 1.00 0.00 O ATOM 404 CB ASP A 29 -8.280 -3.811 2.054 1.00 0.00 C ATOM 405 CG ASP A 29 -9.071 -3.270 3.229 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.448 -2.926 4.256 1.00 0.00 O ATOM 407 OD2 ASP A 29 -10.312 -3.191 3.122 1.00 0.00 O ATOM 0 H ASP A 29 -6.428 -2.324 2.712 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.380 -3.148 0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.909 -4.490 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.437 -4.394 2.425 1.00 0.00 H new ATOM 412 N ASP A 30 -9.247 -0.869 1.704 1.00 0.00 N ATOM 413 CA ASP A 30 -10.320 0.094 1.482 1.00 0.00 C ATOM 414 C ASP A 30 -10.228 0.697 0.084 1.00 0.00 C ATOM 415 O ASP A 30 -11.229 0.807 -0.624 1.00 0.00 O ATOM 416 CB ASP A 30 -10.265 1.203 2.535 1.00 0.00 C ATOM 417 CG ASP A 30 -11.562 1.980 2.624 1.00 0.00 C ATOM 418 OD1 ASP A 30 -12.309 2.006 1.623 1.00 0.00 O ATOM 419 OD2 ASP A 30 -11.831 2.566 3.694 1.00 0.00 O ATOM 0 H ASP A 30 -8.801 -0.800 2.619 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.271 -0.432 1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.039 0.766 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.451 1.887 2.296 1.00 0.00 H new ATOM 424 N CYS A 31 -9.019 1.087 -0.307 1.00 0.00 N ATOM 425 CA CYS A 31 -8.795 1.681 -1.620 1.00 0.00 C ATOM 426 C CYS A 31 -9.587 0.941 -2.695 1.00 0.00 C ATOM 427 O CYS A 31 -10.127 1.553 -3.615 1.00 0.00 O ATOM 428 CB CYS A 31 -7.304 1.661 -1.965 1.00 0.00 C ATOM 429 SG CYS A 31 -6.729 0.089 -2.683 1.00 0.00 S ATOM 0 H CYS A 31 -8.180 1.002 0.266 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.140 2.715 -1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.094 2.468 -2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.730 1.867 -1.062 1.00 0.00 H new ATOM 434 N LYS A 32 -9.651 -0.380 -2.569 1.00 0.00 N ATOM 435 CA LYS A 32 -10.378 -1.205 -3.527 1.00 0.00 C ATOM 436 C LYS A 32 -11.817 -0.725 -3.677 1.00 0.00 C ATOM 437 O LYS A 32 -12.318 -0.572 -4.792 1.00 0.00 O ATOM 438 CB LYS A 32 -10.361 -2.670 -3.085 1.00 0.00 C ATOM 439 CG LYS A 32 -9.049 -3.379 -3.377 1.00 0.00 C ATOM 440 CD LYS A 32 -9.051 -4.800 -2.839 1.00 0.00 C ATOM 441 CE LYS A 32 -8.019 -5.665 -3.546 1.00 0.00 C ATOM 442 NZ LYS A 32 -7.572 -6.803 -2.695 1.00 0.00 N ATOM 0 H LYS A 32 -9.208 -0.902 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.882 -1.117 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.561 -2.720 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.171 -3.201 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.876 -3.397 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.226 -2.821 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.843 -4.785 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.042 -5.237 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.442 -6.050 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.158 -5.054 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.583 -6.656 -2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.172 -6.859 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.649 -7.690 -3.233 1.00 0.00 H new ATOM 456 N ASP A 33 -12.478 -0.488 -2.549 1.00 0.00 N ATOM 457 CA ASP A 33 -13.860 -0.022 -2.556 1.00 0.00 C ATOM 458 C ASP A 33 -13.962 1.365 -3.181 1.00 0.00 C ATOM 459 O ASP A 33 -14.615 1.546 -4.208 1.00 0.00 O ATOM 460 CB ASP A 33 -14.419 0.003 -1.132 1.00 0.00 C ATOM 461 CG ASP A 33 -14.935 -1.352 -0.688 1.00 0.00 C ATOM 462 OD1 ASP A 33 -16.038 -1.738 -1.127 1.00 0.00 O ATOM 463 OD2 ASP A 33 -14.236 -2.025 0.097 1.00 0.00 O ATOM 0 H ASP A 33 -12.079 -0.611 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.449 -0.715 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.640 0.335 -0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.227 0.733 -1.075 1.00 0.00 H new ATOM 468 N GLN A 34 -13.314 2.341 -2.552 1.00 0.00 N ATOM 469 CA GLN A 34 -13.335 3.713 -3.046 1.00 0.00 C ATOM 470 C GLN A 34 -12.816 3.784 -4.478 1.00 0.00 C ATOM 471 O GLN A 34 -13.539 4.179 -5.393 1.00 0.00 O ATOM 472 CB GLN A 34 -12.495 4.616 -2.141 1.00 0.00 C ATOM 473 CG GLN A 34 -13.252 5.139 -0.931 1.00 0.00 C ATOM 474 CD GLN A 34 -12.582 6.343 -0.300 1.00 0.00 C ATOM 475 OE1 GLN A 34 -11.537 6.221 0.340 1.00 0.00 O ATOM 476 NE2 GLN A 34 -13.182 7.514 -0.476 1.00 0.00 N ATOM 0 H GLN A 34 -12.769 2.207 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.368 4.060 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.620 4.062 -1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.130 5.462 -2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.266 5.407 -1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.337 4.345 -0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.047 7.568 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.778 8.360 -0.073 1.00 0.00 H new ATOM 485 N GLY A 35 -11.558 3.397 -4.666 1.00 0.00 N ATOM 486 CA GLY A 35 -10.963 3.425 -5.990 1.00 0.00 C ATOM 487 C GLY A 35 -9.780 4.368 -6.075 1.00 0.00 C ATOM 488 O GLY A 35 -9.645 5.122 -7.038 1.00 0.00 O ATOM 0 H GLY A 35 -10.940 3.065 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.642 2.419 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.717 3.727 -6.717 1.00 0.00 H new ATOM 492 N ASP A 36 -8.921 4.328 -5.062 1.00 0.00 N ATOM 493 CA ASP A 36 -7.742 5.186 -5.025 1.00 0.00 C ATOM 494 C ASP A 36 -6.492 4.378 -4.693 1.00 0.00 C ATOM 495 O ASP A 36 -5.648 4.815 -3.909 1.00 0.00 O ATOM 496 CB ASP A 36 -7.930 6.303 -3.998 1.00 0.00 C ATOM 497 CG ASP A 36 -9.238 7.047 -4.185 1.00 0.00 C ATOM 498 OD1 ASP A 36 -9.768 7.041 -5.315 1.00 0.00 O ATOM 499 OD2 ASP A 36 -9.733 7.633 -3.198 1.00 0.00 O ATOM 0 H ASP A 36 -9.019 3.711 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.614 5.629 -6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.897 5.879 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.101 7.006 -4.075 1.00 0.00 H new ATOM 504 N CYS A 37 -6.379 3.198 -5.293 1.00 0.00 N ATOM 505 CA CYS A 37 -5.234 2.327 -5.060 1.00 0.00 C ATOM 506 C CYS A 37 -4.032 2.777 -5.887 1.00 0.00 C ATOM 507 O CYS A 37 -4.169 3.144 -7.054 1.00 0.00 O ATOM 508 CB CYS A 37 -5.589 0.879 -5.403 1.00 0.00 C ATOM 509 SG CYS A 37 -7.151 0.302 -4.664 1.00 0.00 S ATOM 0 H CYS A 37 -7.068 2.823 -5.945 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.971 2.389 -4.004 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.653 0.779 -6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.780 0.229 -5.070 1.00 0.00 H new ATOM 514 N CYS A 38 -2.853 2.744 -5.273 1.00 0.00 N ATOM 515 CA CYS A 38 -1.627 3.148 -5.950 1.00 0.00 C ATOM 516 C CYS A 38 -1.376 2.282 -7.182 1.00 0.00 C ATOM 517 O CYS A 38 -1.835 1.142 -7.257 1.00 0.00 O ATOM 518 CB CYS A 38 -0.436 3.051 -4.995 1.00 0.00 C ATOM 519 SG CYS A 38 -0.603 4.070 -3.494 1.00 0.00 S ATOM 0 H CYS A 38 -2.722 2.442 -4.308 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.743 4.183 -6.271 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.303 2.010 -4.702 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.467 3.350 -5.526 1.00 0.00 H new ATOM 524 N ILE A 39 -0.645 2.832 -8.146 1.00 0.00 N ATOM 525 CA ILE A 39 -0.331 2.111 -9.374 1.00 0.00 C ATOM 526 C ILE A 39 0.384 0.799 -9.072 1.00 0.00 C ATOM 527 O ILE A 39 0.192 -0.199 -9.767 1.00 0.00 O ATOM 528 CB ILE A 39 0.547 2.956 -10.314 1.00 0.00 C ATOM 529 CG1 ILE A 39 0.848 2.181 -11.599 1.00 0.00 C ATOM 530 CG2 ILE A 39 1.837 3.359 -9.617 1.00 0.00 C ATOM 531 CD1 ILE A 39 -0.208 2.349 -12.669 1.00 0.00 C ATOM 0 H ILE A 39 -0.259 3.775 -8.100 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.279 1.901 -9.868 1.00 0.00 H new ATOM 0 HB ILE A 39 0.003 3.863 -10.577 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.809 2.509 -11.994 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.946 1.122 -11.360 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.446 3.956 -10.296 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.603 3.946 -8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.388 2.465 -9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.072 1.772 -13.550 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.167 1.994 -12.292 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.291 3.402 -12.936 1.00 0.00 H new ATOM 543 N ASN A 40 1.208 0.806 -8.029 1.00 0.00 N ATOM 544 CA ASN A 40 1.951 -0.386 -7.634 1.00 0.00 C ATOM 545 C ASN A 40 1.412 -0.953 -6.324 1.00 0.00 C ATOM 546 O ASN A 40 2.177 -1.403 -5.470 1.00 0.00 O ATOM 547 CB ASN A 40 3.439 -0.058 -7.487 1.00 0.00 C ATOM 548 CG ASN A 40 4.326 -1.248 -7.798 1.00 0.00 C ATOM 549 OD1 ASN A 40 4.146 -1.922 -8.812 1.00 0.00 O ATOM 550 ND2 ASN A 40 5.290 -1.512 -6.924 1.00 0.00 N ATOM 0 H ASN A 40 1.378 1.623 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 40 1.826 -1.138 -8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.694 0.766 -8.153 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.635 0.282 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.918 -2.301 -7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.403 -0.926 -6.097 1.00 0.00 H new ATOM 557 N TYR A 41 0.093 -0.931 -6.175 1.00 0.00 N ATOM 558 CA TYR A 41 -0.549 -1.442 -4.969 1.00 0.00 C ATOM 559 C TYR A 41 -0.668 -2.962 -5.019 1.00 0.00 C ATOM 560 O TYR A 41 -0.189 -3.663 -4.128 1.00 0.00 O ATOM 561 CB TYR A 41 -1.933 -0.815 -4.798 1.00 0.00 C ATOM 562 CG TYR A 41 -2.815 -1.555 -3.818 1.00 0.00 C ATOM 563 CD1 TYR A 41 -2.589 -1.472 -2.450 1.00 0.00 C ATOM 564 CD2 TYR A 41 -3.875 -2.337 -4.261 1.00 0.00 C ATOM 565 CE1 TYR A 41 -3.392 -2.148 -1.551 1.00 0.00 C ATOM 566 CE2 TYR A 41 -4.685 -3.013 -3.370 1.00 0.00 C ATOM 567 CZ TYR A 41 -4.439 -2.917 -2.015 1.00 0.00 C ATOM 568 OH TYR A 41 -5.242 -3.590 -1.124 1.00 0.00 O ATOM 0 H TYR A 41 -0.553 -0.565 -6.874 1.00 0.00 H new ATOM 0 HA TYR A 41 0.072 -1.172 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.817 0.216 -4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.430 -0.781 -5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.772 -0.869 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.069 -2.417 -5.320 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.201 -2.075 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.507 -3.614 -3.731 1.00 0.00 H new ATOM 0 HH TYR A 41 -5.933 -4.083 -1.614 1.00 0.00 H new ATOM 578 N SER A 42 -1.312 -3.465 -6.067 1.00 0.00 N ATOM 579 CA SER A 42 -1.499 -4.900 -6.233 1.00 0.00 C ATOM 580 C SER A 42 -0.172 -5.589 -6.542 1.00 0.00 C ATOM 581 O SER A 42 0.123 -6.660 -6.012 1.00 0.00 O ATOM 582 CB SER A 42 -2.504 -5.180 -7.352 1.00 0.00 C ATOM 583 OG SER A 42 -2.106 -4.559 -8.562 1.00 0.00 O ATOM 0 H SER A 42 -1.713 -2.899 -6.814 1.00 0.00 H new ATOM 0 HA SER A 42 -1.888 -5.301 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.594 -6.256 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.489 -4.816 -7.060 1.00 0.00 H new ATOM 0 HG SER A 42 -2.764 -4.754 -9.262 1.00 0.00 H new ATOM 589 N SER A 43 0.623 -4.966 -7.406 1.00 0.00 N ATOM 590 CA SER A 43 1.917 -5.519 -7.790 1.00 0.00 C ATOM 591 C SER A 43 2.739 -5.884 -6.558 1.00 0.00 C ATOM 592 O SER A 43 3.385 -6.931 -6.516 1.00 0.00 O ATOM 593 CB SER A 43 2.687 -4.518 -8.653 1.00 0.00 C ATOM 594 OG SER A 43 3.964 -5.024 -9.003 1.00 0.00 O ATOM 0 H SER A 43 0.394 -4.078 -7.853 1.00 0.00 H new ATOM 0 HA SER A 43 1.740 -6.426 -8.368 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.119 -4.299 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.800 -3.578 -8.112 1.00 0.00 H new ATOM 0 HG SER A 43 4.436 -4.367 -9.556 1.00 0.00 H new ATOM 600 N VAL A 44 2.710 -5.012 -5.554 1.00 0.00 N ATOM 601 CA VAL A 44 3.450 -5.241 -4.321 1.00 0.00 C ATOM 602 C VAL A 44 2.625 -6.048 -3.325 1.00 0.00 C ATOM 603 O VAL A 44 3.080 -7.067 -2.806 1.00 0.00 O ATOM 604 CB VAL A 44 3.871 -3.912 -3.663 1.00 0.00 C ATOM 605 CG1 VAL A 44 4.629 -4.173 -2.370 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.711 -3.085 -4.626 1.00 0.00 C ATOM 0 H VAL A 44 2.181 -4.140 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 44 4.343 -5.805 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 44 2.972 -3.345 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.918 -3.223 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.991 -4.723 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.522 -4.760 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.000 -2.150 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.606 -3.644 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.130 -2.868 -5.522 1.00 0.00 H new ATOM 616 N CYS A 45 1.406 -5.586 -3.064 1.00 0.00 N ATOM 617 CA CYS A 45 0.515 -6.264 -2.131 1.00 0.00 C ATOM 618 C CYS A 45 0.089 -7.624 -2.676 1.00 0.00 C ATOM 619 O CYS A 45 0.389 -8.661 -2.086 1.00 0.00 O ATOM 620 CB CYS A 45 -0.720 -5.404 -1.856 1.00 0.00 C ATOM 621 SG CYS A 45 -0.341 -3.750 -1.191 1.00 0.00 S ATOM 0 H CYS A 45 1.013 -4.745 -3.486 1.00 0.00 H new ATOM 0 HA CYS A 45 1.057 -6.419 -1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.285 -5.291 -2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.365 -5.928 -1.151 1.00 0.00 H new ATOM 626 N GLN A 46 -0.611 -7.610 -3.805 1.00 0.00 N ATOM 627 CA GLN A 46 -1.079 -8.842 -4.431 1.00 0.00 C ATOM 628 C GLN A 46 -0.066 -9.353 -5.449 1.00 0.00 C ATOM 629 O GLN A 46 -0.219 -9.143 -6.651 1.00 0.00 O ATOM 630 CB GLN A 46 -2.431 -8.613 -5.109 1.00 0.00 C ATOM 631 CG GLN A 46 -3.557 -8.307 -4.134 1.00 0.00 C ATOM 632 CD GLN A 46 -4.905 -8.197 -4.817 1.00 0.00 C ATOM 633 OE1 GLN A 46 -5.380 -9.148 -5.437 1.00 0.00 O ATOM 634 NE2 GLN A 46 -5.532 -7.031 -4.705 1.00 0.00 N ATOM 0 H GLN A 46 -0.867 -6.759 -4.306 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.195 -9.595 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.339 -7.788 -5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.693 -9.499 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.600 -9.090 -3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.340 -7.374 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.102 -6.269 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.444 -6.898 -5.143 1.00 0.00 H new ATOM 643 N GLY A 47 0.971 -10.027 -4.958 1.00 0.00 N ATOM 644 CA GLY A 47 1.994 -10.558 -5.839 1.00 0.00 C ATOM 645 C GLY A 47 3.316 -10.774 -5.129 1.00 0.00 C ATOM 646 O GLY A 47 4.141 -9.864 -5.050 1.00 0.00 O ATOM 0 H GLY A 47 1.120 -10.214 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.652 -11.504 -6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.141 -9.873 -6.674 1.00 0.00 H new ATOM 650 N GLU A 48 3.516 -11.982 -4.609 1.00 0.00 N ATOM 651 CA GLU A 48 4.747 -12.312 -3.900 1.00 0.00 C ATOM 652 C GLU A 48 5.769 -12.936 -4.846 1.00 0.00 C ATOM 653 O GLU A 48 5.438 -13.806 -5.652 1.00 0.00 O ATOM 654 CB GLU A 48 4.452 -13.272 -2.744 1.00 0.00 C ATOM 655 CG GLU A 48 5.699 -13.757 -2.024 1.00 0.00 C ATOM 656 CD GLU A 48 6.393 -12.652 -1.251 1.00 0.00 C ATOM 657 OE1 GLU A 48 6.636 -11.578 -1.841 1.00 0.00 O ATOM 658 OE2 GLU A 48 6.695 -12.861 -0.057 1.00 0.00 O ATOM 0 H GLU A 48 2.843 -12.746 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 48 5.166 -11.389 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.799 -12.775 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.906 -14.134 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.429 -14.560 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.393 -14.178 -2.751 1.00 0.00 H new ATOM 665 N LYS A 49 7.015 -12.485 -4.741 1.00 0.00 N ATOM 666 CA LYS A 49 8.088 -12.998 -5.584 1.00 0.00 C ATOM 667 C LYS A 49 8.984 -13.955 -4.804 1.00 0.00 C ATOM 668 O LYS A 49 9.928 -13.531 -4.138 1.00 0.00 O ATOM 669 CB LYS A 49 8.922 -11.842 -6.143 1.00 0.00 C ATOM 670 CG LYS A 49 9.746 -12.220 -7.362 1.00 0.00 C ATOM 671 CD LYS A 49 11.122 -12.729 -6.969 1.00 0.00 C ATOM 672 CE LYS A 49 11.739 -13.575 -8.072 1.00 0.00 C ATOM 673 NZ LYS A 49 13.193 -13.806 -7.846 1.00 0.00 N ATOM 0 H LYS A 49 7.306 -11.765 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 49 7.636 -13.545 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.257 -11.019 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.590 -11.476 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.223 -12.987 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.850 -11.353 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.774 -11.884 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.046 -13.319 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.223 -14.534 -8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.595 -13.081 -9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.577 -14.386 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.690 -12.893 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.329 -14.301 -6.941 1.00 0.00 H new ATOM 687 N SER A 50 8.682 -15.246 -4.893 1.00 0.00 N ATOM 688 CA SER A 50 9.458 -16.263 -4.193 1.00 0.00 C ATOM 689 C SER A 50 9.957 -17.329 -5.163 1.00 0.00 C ATOM 690 O SER A 50 9.297 -18.346 -5.377 1.00 0.00 O ATOM 691 CB SER A 50 8.616 -16.911 -3.093 1.00 0.00 C ATOM 692 OG SER A 50 9.272 -18.042 -2.548 1.00 0.00 O ATOM 0 H SER A 50 7.905 -15.613 -5.443 1.00 0.00 H new ATOM 0 HA SER A 50 10.322 -15.777 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.421 -16.184 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.649 -17.208 -3.498 1.00 0.00 H new ATOM 0 HG SER A 50 8.714 -18.437 -1.846 1.00 0.00 H new ATOM 698 N SER A 51 11.126 -17.089 -5.749 1.00 0.00 N ATOM 699 CA SER A 51 11.711 -18.026 -6.700 1.00 0.00 C ATOM 700 C SER A 51 12.968 -18.670 -6.123 1.00 0.00 C ATOM 701 O SER A 51 14.080 -18.186 -6.332 1.00 0.00 O ATOM 702 CB SER A 51 12.046 -17.312 -8.011 1.00 0.00 C ATOM 703 OG SER A 51 10.937 -17.320 -8.893 1.00 0.00 O ATOM 0 H SER A 51 11.686 -16.253 -5.581 1.00 0.00 H new ATOM 0 HA SER A 51 10.980 -18.810 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.342 -16.284 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.897 -17.799 -8.487 1.00 0.00 H new ATOM 0 HG SER A 51 11.176 -16.856 -9.723 1.00 0.00 H new ATOM 709 N GLY A 52 12.783 -19.766 -5.394 1.00 0.00 N ATOM 710 CA GLY A 52 13.909 -20.460 -4.797 1.00 0.00 C ATOM 711 C GLY A 52 13.504 -21.759 -4.131 1.00 0.00 C ATOM 712 O GLY A 52 12.411 -21.882 -3.577 1.00 0.00 O ATOM 0 H GLY A 52 11.873 -20.186 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 52 14.653 -20.667 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.383 -19.811 -4.061 1.00 0.00 H new ATOM 716 N PRO A 53 14.396 -22.759 -4.182 1.00 0.00 N ATOM 717 CA PRO A 53 14.147 -24.074 -3.584 1.00 0.00 C ATOM 718 C PRO A 53 14.140 -24.027 -2.061 1.00 0.00 C ATOM 719 O PRO A 53 13.213 -24.519 -1.419 1.00 0.00 O ATOM 720 CB PRO A 53 15.319 -24.921 -4.088 1.00 0.00 C ATOM 721 CG PRO A 53 16.405 -23.938 -4.365 1.00 0.00 C ATOM 722 CD PRO A 53 15.718 -22.682 -4.826 1.00 0.00 C ATOM 0 HA PRO A 53 13.169 -24.468 -3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.628 -25.653 -3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.049 -25.476 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 53 17.000 -23.752 -3.471 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.086 -24.313 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 53 16.263 -21.790 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.634 -22.646 -5.912 1.00 0.00 H new ATOM 730 N SER A 54 15.180 -23.431 -1.487 1.00 0.00 N ATOM 731 CA SER A 54 15.296 -23.322 -0.037 1.00 0.00 C ATOM 732 C SER A 54 14.576 -22.077 0.473 1.00 0.00 C ATOM 733 O SER A 54 14.182 -21.210 -0.307 1.00 0.00 O ATOM 734 CB SER A 54 16.769 -23.280 0.377 1.00 0.00 C ATOM 735 OG SER A 54 17.399 -22.106 -0.105 1.00 0.00 O ATOM 0 H SER A 54 15.955 -23.016 -2.004 1.00 0.00 H new ATOM 0 HA SER A 54 14.827 -24.200 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.846 -23.318 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.284 -24.159 -0.010 1.00 0.00 H new ATOM 0 HG SER A 54 18.339 -22.101 0.174 1.00 0.00 H new ATOM 741 N SER A 55 14.408 -21.996 1.789 1.00 0.00 N ATOM 742 CA SER A 55 13.733 -20.861 2.406 1.00 0.00 C ATOM 743 C SER A 55 14.613 -20.218 3.473 1.00 0.00 C ATOM 744 O SER A 55 15.707 -20.701 3.765 1.00 0.00 O ATOM 745 CB SER A 55 12.404 -21.303 3.023 1.00 0.00 C ATOM 746 OG SER A 55 11.358 -21.257 2.067 1.00 0.00 O ATOM 0 H SER A 55 14.731 -22.704 2.449 1.00 0.00 H new ATOM 0 HA SER A 55 13.537 -20.122 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.500 -22.316 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.159 -20.658 3.867 1.00 0.00 H new ATOM 0 HG SER A 55 10.520 -21.545 2.485 1.00 0.00 H new ATOM 752 N GLY A 56 14.127 -19.124 4.052 1.00 0.00 N ATOM 753 CA GLY A 56 14.882 -18.432 5.081 1.00 0.00 C ATOM 754 C GLY A 56 14.142 -17.230 5.634 1.00 0.00 C ATOM 755 O GLY A 56 14.381 -16.814 6.767 1.00 0.00 O ATOM 0 H GLY A 56 13.225 -18.705 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.102 -19.125 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.838 -18.108 4.670 1.00 0.00 H new TER 759 GLY A 56