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 51 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -168:sc= 1.01 (180deg=0) USER MOD Set 2.2: A 46 GLN : amide:sc= 0.893 K(o=1.9,f=-12!) 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 9 THR OG1 : rot 37:sc= 0.29 USER MOD Single : A 11 ASN : amide:sc= 0.0468 K(o=0.047,f=-7.5!) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.108 (180deg=-0.524) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 23 SER OG : rot 122:sc= -0.427! USER MOD Single : A 28 SER OG : rot 128:sc= 1.29 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.87! C(o=-1.9!,f=-4.3!) USER MOD Single : A 41 TYR OH : rot -152:sc= 0.204 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= -0.401 (180deg=-0.692) USER MOD Single : A 50 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 8.715 20.885 8.399 1.00 0.00 N ATOM 2 CA GLY A 1 8.007 22.142 8.241 1.00 0.00 C ATOM 3 C GLY A 1 7.057 22.126 7.059 1.00 0.00 C ATOM 4 O GLY A 1 5.858 22.355 7.215 1.00 0.00 O ATOM 0 H1 GLY A 1 9.351 20.946 9.219 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.030 20.117 8.548 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.272 20.690 7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.447 22.357 9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.729 22.949 8.113 1.00 0.00 H new ATOM 8 N SER A 2 7.594 21.858 5.874 1.00 0.00 N ATOM 9 CA SER A 2 6.787 21.819 4.659 1.00 0.00 C ATOM 10 C SER A 2 6.692 20.397 4.115 1.00 0.00 C ATOM 11 O SER A 2 7.412 19.501 4.558 1.00 0.00 O ATOM 12 CB SER A 2 7.382 22.745 3.596 1.00 0.00 C ATOM 13 OG SER A 2 7.609 24.042 4.119 1.00 0.00 O ATOM 0 H SER A 2 8.585 21.664 5.728 1.00 0.00 H new ATOM 0 HA SER A 2 5.783 22.162 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.320 22.328 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.706 22.807 2.743 1.00 0.00 H new ATOM 0 HG SER A 2 7.991 24.614 3.421 1.00 0.00 H new ATOM 19 N SER A 3 5.797 20.197 3.153 1.00 0.00 N ATOM 20 CA SER A 3 5.604 18.884 2.549 1.00 0.00 C ATOM 21 C SER A 3 6.938 18.283 2.117 1.00 0.00 C ATOM 22 O SER A 3 7.585 18.779 1.195 1.00 0.00 O ATOM 23 CB SER A 3 4.662 18.985 1.348 1.00 0.00 C ATOM 24 OG SER A 3 4.685 17.793 0.580 1.00 0.00 O ATOM 0 H SER A 3 5.194 20.928 2.775 1.00 0.00 H new ATOM 0 HA SER A 3 5.157 18.229 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.647 19.179 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.953 19.830 0.723 1.00 0.00 H new ATOM 0 HG SER A 3 4.074 17.882 -0.181 1.00 0.00 H new ATOM 30 N GLY A 4 7.342 17.209 2.790 1.00 0.00 N ATOM 31 CA GLY A 4 8.597 16.557 2.461 1.00 0.00 C ATOM 32 C GLY A 4 8.395 15.276 1.676 1.00 0.00 C ATOM 33 O GLY A 4 8.078 15.312 0.488 1.00 0.00 O ATOM 0 H GLY A 4 6.823 16.779 3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.217 17.241 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.140 16.335 3.380 1.00 0.00 H new ATOM 37 N SER A 5 8.584 14.141 2.342 1.00 0.00 N ATOM 38 CA SER A 5 8.427 12.842 1.696 1.00 0.00 C ATOM 39 C SER A 5 7.093 12.759 0.962 1.00 0.00 C ATOM 40 O SER A 5 6.097 13.343 1.390 1.00 0.00 O ATOM 41 CB SER A 5 8.523 11.720 2.732 1.00 0.00 C ATOM 42 OG SER A 5 7.537 11.870 3.739 1.00 0.00 O ATOM 0 H SER A 5 8.846 14.094 3.327 1.00 0.00 H new ATOM 0 HA SER A 5 9.230 12.725 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.401 10.755 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.514 11.723 3.186 1.00 0.00 H new ATOM 0 HG SER A 5 7.618 11.140 4.388 1.00 0.00 H new ATOM 48 N SER A 6 7.080 12.027 -0.148 1.00 0.00 N ATOM 49 CA SER A 6 5.870 11.868 -0.947 1.00 0.00 C ATOM 50 C SER A 6 5.137 10.584 -0.572 1.00 0.00 C ATOM 51 O SER A 6 3.999 10.619 -0.106 1.00 0.00 O ATOM 52 CB SER A 6 6.215 11.858 -2.437 1.00 0.00 C ATOM 53 OG SER A 6 6.385 13.174 -2.931 1.00 0.00 O ATOM 0 H SER A 6 7.894 11.534 -0.515 1.00 0.00 H new ATOM 0 HA SER A 6 5.213 12.713 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.128 11.285 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.423 11.357 -2.993 1.00 0.00 H new ATOM 0 HG SER A 6 6.606 13.139 -3.885 1.00 0.00 H new ATOM 59 N GLY A 7 5.799 9.450 -0.782 1.00 0.00 N ATOM 60 CA GLY A 7 5.196 8.169 -0.462 1.00 0.00 C ATOM 61 C GLY A 7 4.083 7.797 -1.422 1.00 0.00 C ATOM 62 O GLY A 7 2.909 7.792 -1.051 1.00 0.00 O ATOM 0 H GLY A 7 6.742 9.396 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.963 7.395 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.801 8.200 0.553 1.00 0.00 H new ATOM 66 N TRP A 8 4.452 7.485 -2.660 1.00 0.00 N ATOM 67 CA TRP A 8 3.476 7.111 -3.676 1.00 0.00 C ATOM 68 C TRP A 8 3.798 5.741 -4.263 1.00 0.00 C ATOM 69 O TRP A 8 3.691 5.530 -5.471 1.00 0.00 O ATOM 70 CB TRP A 8 3.440 8.159 -4.790 1.00 0.00 C ATOM 71 CG TRP A 8 3.018 9.517 -4.314 1.00 0.00 C ATOM 72 CD1 TRP A 8 3.676 10.697 -4.514 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.844 9.832 -3.559 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.981 11.727 -3.928 1.00 0.00 N ATOM 75 CE2 TRP A 8 1.853 11.223 -3.336 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.784 9.076 -3.050 1.00 0.00 C ATOM 77 CZ2 TRP A 8 0.845 11.870 -2.625 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -0.215 9.720 -2.344 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.180 11.105 -2.139 1.00 0.00 C ATOM 0 H TRP A 8 5.419 7.484 -2.983 1.00 0.00 H new ATOM 0 HA TRP A 8 2.496 7.062 -3.201 1.00 0.00 H new ATOM 0 HB2 TRP A 8 4.429 8.232 -5.243 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.755 7.826 -5.570 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.606 10.805 -5.053 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.260 12.708 -3.933 1.00 0.00 H new ATOM 0 HE3 TRP A 8 0.746 8.008 -3.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.872 12.937 -2.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.037 9.145 -1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.978 11.579 -1.586 1.00 0.00 H new ATOM 90 N THR A 9 4.192 4.810 -3.398 1.00 0.00 N ATOM 91 CA THR A 9 4.530 3.459 -3.830 1.00 0.00 C ATOM 92 C THR A 9 4.157 2.433 -2.767 1.00 0.00 C ATOM 93 O THR A 9 4.821 2.322 -1.736 1.00 0.00 O ATOM 94 CB THR A 9 6.032 3.332 -4.147 1.00 0.00 C ATOM 95 OG1 THR A 9 6.807 3.870 -3.071 1.00 0.00 O ATOM 96 CG2 THR A 9 6.376 4.057 -5.439 1.00 0.00 C ATOM 0 H THR A 9 4.285 4.967 -2.394 1.00 0.00 H new ATOM 0 HA THR A 9 3.957 3.263 -4.736 1.00 0.00 H new ATOM 0 HB THR A 9 6.266 2.275 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.376 3.654 -2.218 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.442 3.953 -5.642 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.806 3.625 -6.262 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.127 5.114 -5.341 1.00 0.00 H new ATOM 104 N CYS A 10 3.091 1.682 -3.025 1.00 0.00 N ATOM 105 CA CYS A 10 2.629 0.664 -2.090 1.00 0.00 C ATOM 106 C CYS A 10 3.743 -0.332 -1.776 1.00 0.00 C ATOM 107 O CYS A 10 4.464 -0.773 -2.670 1.00 0.00 O ATOM 108 CB CYS A 10 1.418 -0.074 -2.665 1.00 0.00 C ATOM 109 SG CYS A 10 -0.128 0.889 -2.623 1.00 0.00 S ATOM 0 H CYS A 10 2.531 1.760 -3.874 1.00 0.00 H new ATOM 0 HA CYS A 10 2.338 1.161 -1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.632 -0.353 -3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.272 -1.000 -2.108 1.00 0.00 H new ATOM 114 N ASN A 11 3.875 -0.680 -0.501 1.00 0.00 N ATOM 115 CA ASN A 11 4.901 -1.623 -0.069 1.00 0.00 C ATOM 116 C ASN A 11 4.302 -2.707 0.822 1.00 0.00 C ATOM 117 O ASN A 11 3.225 -2.533 1.394 1.00 0.00 O ATOM 118 CB ASN A 11 6.015 -0.889 0.679 1.00 0.00 C ATOM 119 CG ASN A 11 7.362 -1.569 0.523 1.00 0.00 C ATOM 120 OD1 ASN A 11 7.481 -2.782 0.700 1.00 0.00 O ATOM 121 ND2 ASN A 11 8.383 -0.788 0.191 1.00 0.00 N ATOM 0 H ASN A 11 3.285 -0.324 0.251 1.00 0.00 H new ATOM 0 HA ASN A 11 5.321 -2.098 -0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.083 0.135 0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.761 -0.831 1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.314 -1.188 0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.237 0.212 0.055 1.00 0.00 H new ATOM 128 N LYS A 12 5.007 -3.828 0.937 1.00 0.00 N ATOM 129 CA LYS A 12 4.549 -4.939 1.760 1.00 0.00 C ATOM 130 C LYS A 12 4.057 -4.447 3.118 1.00 0.00 C ATOM 131 O LYS A 12 2.924 -4.720 3.515 1.00 0.00 O ATOM 132 CB LYS A 12 5.675 -5.957 1.953 1.00 0.00 C ATOM 133 CG LYS A 12 5.194 -7.313 2.440 1.00 0.00 C ATOM 134 CD LYS A 12 4.531 -8.103 1.323 1.00 0.00 C ATOM 135 CE LYS A 12 5.552 -8.607 0.315 1.00 0.00 C ATOM 136 NZ LYS A 12 6.532 -9.540 0.937 1.00 0.00 N ATOM 0 H LYS A 12 5.899 -3.990 0.469 1.00 0.00 H new ATOM 0 HA LYS A 12 3.717 -5.419 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.202 -6.086 1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.395 -5.558 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.037 -7.879 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.488 -7.177 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.988 -8.948 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.798 -7.475 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.037 -9.113 -0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.083 -7.760 -0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.996 -10.102 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.249 -8.995 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.037 -10.176 1.594 1.00 0.00 H new ATOM 150 N PHE A 13 4.915 -3.717 3.823 1.00 0.00 N ATOM 151 CA PHE A 13 4.567 -3.185 5.135 1.00 0.00 C ATOM 152 C PHE A 13 3.327 -2.300 5.052 1.00 0.00 C ATOM 153 O PHE A 13 2.376 -2.475 5.813 1.00 0.00 O ATOM 154 CB PHE A 13 5.738 -2.387 5.712 1.00 0.00 C ATOM 155 CG PHE A 13 5.678 -2.229 7.205 1.00 0.00 C ATOM 156 CD1 PHE A 13 5.792 -3.331 8.037 1.00 0.00 C ATOM 157 CD2 PHE A 13 5.509 -0.978 7.775 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.737 -3.188 9.411 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.454 -0.829 9.148 1.00 0.00 C ATOM 160 CZ PHE A 13 5.567 -1.936 9.967 1.00 0.00 C ATOM 0 H PHE A 13 5.856 -3.481 3.508 1.00 0.00 H new ATOM 0 HA PHE A 13 4.349 -4.026 5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.672 -2.882 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.757 -1.400 5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.925 -4.313 7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.419 -0.109 7.140 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.827 -4.055 10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.323 0.152 9.580 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.522 -1.822 11.040 1.00 0.00 H new ATOM 170 N ARG A 14 3.346 -1.350 4.123 1.00 0.00 N ATOM 171 CA ARG A 14 2.225 -0.436 3.941 1.00 0.00 C ATOM 172 C ARG A 14 0.903 -1.199 3.897 1.00 0.00 C ATOM 173 O ARG A 14 -0.043 -0.863 4.609 1.00 0.00 O ATOM 174 CB ARG A 14 2.402 0.373 2.655 1.00 0.00 C ATOM 175 CG ARG A 14 3.718 1.129 2.587 1.00 0.00 C ATOM 176 CD ARG A 14 3.642 2.448 3.341 1.00 0.00 C ATOM 177 NE ARG A 14 4.510 3.464 2.754 1.00 0.00 N ATOM 178 CZ ARG A 14 4.993 4.499 3.433 1.00 0.00 C ATOM 179 NH1 ARG A 14 4.693 4.654 4.716 1.00 0.00 N ATOM 180 NH2 ARG A 14 5.776 5.383 2.829 1.00 0.00 N ATOM 0 H ARG A 14 4.126 -1.193 3.484 1.00 0.00 H new ATOM 0 HA ARG A 14 2.203 0.246 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.335 -0.300 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.580 1.083 2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.514 0.514 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.977 1.318 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.613 2.807 3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.924 2.288 4.382 1.00 0.00 H new ATOM 0 HE ARG A 14 4.759 3.375 1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.090 3.978 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.065 5.450 5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.008 5.269 1.842 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.146 6.177 3.351 1.00 0.00 H new ATOM 194 N CYS A 15 0.847 -2.227 3.058 1.00 0.00 N ATOM 195 CA CYS A 15 -0.357 -3.038 2.919 1.00 0.00 C ATOM 196 C CYS A 15 -1.110 -3.122 4.243 1.00 0.00 C ATOM 197 O CYS A 15 -0.826 -3.981 5.077 1.00 0.00 O ATOM 198 CB CYS A 15 0.002 -4.443 2.433 1.00 0.00 C ATOM 199 SG CYS A 15 1.128 -4.470 1.001 1.00 0.00 S ATOM 0 H CYS A 15 1.622 -2.519 2.463 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.004 -2.561 2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.462 -4.993 3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.915 -4.970 2.170 1.00 0.00 H new ATOM 204 N GLY A 16 -2.073 -2.225 4.429 1.00 0.00 N ATOM 205 CA GLY A 16 -2.852 -2.215 5.653 1.00 0.00 C ATOM 206 C GLY A 16 -2.550 -1.011 6.523 1.00 0.00 C ATOM 207 O GLY A 16 -2.275 -1.153 7.714 1.00 0.00 O ATOM 0 H GLY A 16 -2.328 -1.505 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.913 -2.223 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.650 -3.126 6.216 1.00 0.00 H new ATOM 211 N GLU A 17 -2.598 0.176 5.928 1.00 0.00 N ATOM 212 CA GLU A 17 -2.324 1.408 6.658 1.00 0.00 C ATOM 213 C GLU A 17 -3.608 1.991 7.243 1.00 0.00 C ATOM 214 O GLU A 17 -4.690 1.427 7.080 1.00 0.00 O ATOM 215 CB GLU A 17 -1.658 2.434 5.739 1.00 0.00 C ATOM 216 CG GLU A 17 -2.511 2.827 4.544 1.00 0.00 C ATOM 217 CD GLU A 17 -1.822 3.828 3.638 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.991 3.403 2.809 1.00 0.00 O ATOM 219 OE2 GLU A 17 -2.112 5.037 3.760 1.00 0.00 O ATOM 0 H GLU A 17 -2.824 0.311 4.943 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.646 1.171 7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.423 3.328 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.712 2.028 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.759 1.934 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.451 3.250 4.897 1.00 0.00 H new ATOM 226 N LYS A 18 -3.479 3.124 7.924 1.00 0.00 N ATOM 227 CA LYS A 18 -4.626 3.785 8.534 1.00 0.00 C ATOM 228 C LYS A 18 -5.494 4.457 7.474 1.00 0.00 C ATOM 229 O LYS A 18 -5.138 4.487 6.295 1.00 0.00 O ATOM 230 CB LYS A 18 -4.159 4.824 9.557 1.00 0.00 C ATOM 231 CG LYS A 18 -3.285 5.914 8.961 1.00 0.00 C ATOM 232 CD LYS A 18 -3.420 7.219 9.729 1.00 0.00 C ATOM 233 CE LYS A 18 -2.737 7.140 11.086 1.00 0.00 C ATOM 234 NZ LYS A 18 -3.222 8.200 12.012 1.00 0.00 N ATOM 0 H LYS A 18 -2.591 3.604 8.067 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.222 3.026 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.032 5.283 10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.606 4.319 10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.244 5.592 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.561 6.074 7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.984 8.031 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.475 7.455 9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.919 6.160 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.659 7.236 10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.733 8.113 12.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.026 9.135 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.246 8.093 12.156 1.00 0.00 H new ATOM 248 N ARG A 19 -6.632 4.994 7.900 1.00 0.00 N ATOM 249 CA ARG A 19 -7.550 5.664 6.987 1.00 0.00 C ATOM 250 C ARG A 19 -6.896 6.895 6.365 1.00 0.00 C ATOM 251 O ARG A 19 -5.820 7.321 6.789 1.00 0.00 O ATOM 252 CB ARG A 19 -8.829 6.070 7.722 1.00 0.00 C ATOM 253 CG ARG A 19 -8.631 7.213 8.704 1.00 0.00 C ATOM 254 CD ARG A 19 -9.943 7.621 9.355 1.00 0.00 C ATOM 255 NE ARG A 19 -9.735 8.510 10.495 1.00 0.00 N ATOM 256 CZ ARG A 19 -9.592 9.826 10.385 1.00 0.00 C ATOM 257 NH1 ARG A 19 -9.635 10.403 9.192 1.00 0.00 N ATOM 258 NH2 ARG A 19 -9.406 10.567 11.469 1.00 0.00 N ATOM 0 H ARG A 19 -6.941 4.978 8.872 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.803 4.966 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.583 6.358 6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.220 5.205 8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.919 6.914 9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.199 8.069 8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.574 8.118 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.477 6.730 9.683 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.697 8.098 11.427 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.778 9.836 8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.525 11.414 9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.373 10.126 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.296 11.577 11.383 1.00 0.00 H new ATOM 272 N LEU A 20 -7.551 7.462 5.359 1.00 0.00 N ATOM 273 CA LEU A 20 -7.034 8.644 4.678 1.00 0.00 C ATOM 274 C LEU A 20 -8.168 9.588 4.289 1.00 0.00 C ATOM 275 O LEU A 20 -9.321 9.174 4.166 1.00 0.00 O ATOM 276 CB LEU A 20 -6.247 8.235 3.432 1.00 0.00 C ATOM 277 CG LEU A 20 -7.079 7.832 2.214 1.00 0.00 C ATOM 278 CD1 LEU A 20 -6.186 7.640 0.998 1.00 0.00 C ATOM 279 CD2 LEU A 20 -7.869 6.563 2.503 1.00 0.00 C ATOM 0 H LEU A 20 -8.442 7.123 4.996 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.369 9.167 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.600 9.065 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.597 7.400 3.695 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.785 8.634 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.795 7.353 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.666 8.572 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.456 6.857 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.455 6.291 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.181 5.753 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.538 6.735 3.347 1.00 0.00 H new ATOM 291 N THR A 21 -7.832 10.860 4.097 1.00 0.00 N ATOM 292 CA THR A 21 -8.820 11.863 3.721 1.00 0.00 C ATOM 293 C THR A 21 -8.637 12.299 2.272 1.00 0.00 C ATOM 294 O THR A 21 -9.559 12.197 1.462 1.00 0.00 O ATOM 295 CB THR A 21 -8.736 13.102 4.632 1.00 0.00 C ATOM 296 OG1 THR A 21 -7.407 13.632 4.618 1.00 0.00 O ATOM 297 CG2 THR A 21 -9.134 12.753 6.058 1.00 0.00 C ATOM 0 H THR A 21 -6.883 11.220 4.196 1.00 0.00 H new ATOM 0 HA THR A 21 -9.800 11.401 3.837 1.00 0.00 H new ATOM 0 HB THR A 21 -9.429 13.853 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.363 14.420 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.067 13.644 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.158 12.378 6.069 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.463 11.986 6.446 1.00 0.00 H new ATOM 305 N ARG A 22 -7.442 12.785 1.950 1.00 0.00 N ATOM 306 CA ARG A 22 -7.141 13.236 0.598 1.00 0.00 C ATOM 307 C ARG A 22 -5.708 12.877 0.212 1.00 0.00 C ATOM 308 O ARG A 22 -4.751 13.413 0.773 1.00 0.00 O ATOM 309 CB ARG A 22 -7.347 14.748 0.484 1.00 0.00 C ATOM 310 CG ARG A 22 -8.773 15.143 0.133 1.00 0.00 C ATOM 311 CD ARG A 22 -9.083 14.866 -1.329 1.00 0.00 C ATOM 312 NE ARG A 22 -10.437 15.281 -1.688 1.00 0.00 N ATOM 313 CZ ARG A 22 -10.808 15.586 -2.928 1.00 0.00 C ATOM 314 NH1 ARG A 22 -9.931 15.523 -3.920 1.00 0.00 N ATOM 315 NH2 ARG A 22 -12.057 15.955 -3.176 1.00 0.00 N ATOM 0 H ARG A 22 -6.668 12.876 2.607 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.822 12.731 -0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.071 15.216 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.672 15.142 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.470 14.593 0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.921 16.202 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.364 15.391 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.965 13.801 -1.530 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.136 15.340 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.969 15.240 -3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.218 15.757 -4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.735 16.005 -2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.340 16.189 -4.128 1.00 0.00 H new ATOM 329 N SER A 23 -5.568 11.969 -0.748 1.00 0.00 N ATOM 330 CA SER A 23 -4.253 11.536 -1.206 1.00 0.00 C ATOM 331 C SER A 23 -4.326 10.992 -2.629 1.00 0.00 C ATOM 332 O SER A 23 -5.402 10.658 -3.125 1.00 0.00 O ATOM 333 CB SER A 23 -3.690 10.467 -0.267 1.00 0.00 C ATOM 334 OG SER A 23 -4.162 9.178 -0.620 1.00 0.00 O ATOM 0 H SER A 23 -6.349 11.519 -1.224 1.00 0.00 H new ATOM 0 HA SER A 23 -3.590 12.401 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.601 10.482 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.976 10.694 0.760 1.00 0.00 H new ATOM 0 HG SER A 23 -3.400 8.590 -0.807 1.00 0.00 H new ATOM 340 N LEU A 24 -3.171 10.907 -3.282 1.00 0.00 N ATOM 341 CA LEU A 24 -3.101 10.404 -4.650 1.00 0.00 C ATOM 342 C LEU A 24 -3.515 8.937 -4.712 1.00 0.00 C ATOM 343 O LEU A 24 -4.249 8.526 -5.611 1.00 0.00 O ATOM 344 CB LEU A 24 -1.685 10.570 -5.203 1.00 0.00 C ATOM 345 CG LEU A 24 -1.127 11.994 -5.202 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.345 11.991 -5.586 1.00 0.00 C ATOM 347 CD2 LEU A 24 -1.926 12.881 -6.146 1.00 0.00 C ATOM 0 H LEU A 24 -2.271 11.180 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.793 10.984 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.013 9.937 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.670 10.196 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.217 12.398 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.725 13.013 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.907 11.391 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.460 11.567 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.515 13.890 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.869 12.480 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.967 12.909 -5.825 1.00 0.00 H new ATOM 359 N CYS A 25 -3.041 8.153 -3.750 1.00 0.00 N ATOM 360 CA CYS A 25 -3.363 6.732 -3.693 1.00 0.00 C ATOM 361 C CYS A 25 -3.491 6.260 -2.248 1.00 0.00 C ATOM 362 O CYS A 25 -2.986 6.902 -1.327 1.00 0.00 O ATOM 363 CB CYS A 25 -2.288 5.916 -4.414 1.00 0.00 C ATOM 364 SG CYS A 25 -0.753 5.698 -3.457 1.00 0.00 S ATOM 0 H CYS A 25 -2.432 8.478 -2.999 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.321 6.582 -4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.694 4.934 -4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.048 6.405 -5.358 1.00 0.00 H new ATOM 369 N ALA A 26 -4.171 5.134 -2.057 1.00 0.00 N ATOM 370 CA ALA A 26 -4.364 4.575 -0.725 1.00 0.00 C ATOM 371 C ALA A 26 -3.979 3.100 -0.688 1.00 0.00 C ATOM 372 O ALA A 26 -4.613 2.266 -1.334 1.00 0.00 O ATOM 373 CB ALA A 26 -5.808 4.757 -0.281 1.00 0.00 C ATOM 0 H ALA A 26 -4.597 4.591 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.713 5.111 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.938 4.335 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.051 5.819 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.471 4.247 -0.980 1.00 0.00 H new ATOM 379 N CYS A 27 -2.936 2.784 0.073 1.00 0.00 N ATOM 380 CA CYS A 27 -2.465 1.410 0.195 1.00 0.00 C ATOM 381 C CYS A 27 -3.107 0.719 1.394 1.00 0.00 C ATOM 382 O CYS A 27 -2.432 0.033 2.163 1.00 0.00 O ATOM 383 CB CYS A 27 -0.942 1.381 0.330 1.00 0.00 C ATOM 384 SG CYS A 27 -0.057 2.142 -1.069 1.00 0.00 S ATOM 0 H CYS A 27 -2.401 3.462 0.615 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.753 0.872 -0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.659 1.896 1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.617 0.346 0.432 1.00 0.00 H new ATOM 389 N SER A 28 -4.413 0.906 1.549 1.00 0.00 N ATOM 390 CA SER A 28 -5.146 0.304 2.657 1.00 0.00 C ATOM 391 C SER A 28 -6.208 -0.665 2.144 1.00 0.00 C ATOM 392 O SER A 28 -6.375 -0.837 0.936 1.00 0.00 O ATOM 393 CB SER A 28 -5.801 1.390 3.513 1.00 0.00 C ATOM 394 OG SER A 28 -6.692 2.178 2.743 1.00 0.00 O ATOM 0 H SER A 28 -4.986 1.470 0.921 1.00 0.00 H new ATOM 0 HA SER A 28 -4.437 -0.253 3.269 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.340 0.929 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.032 2.027 3.949 1.00 0.00 H new ATOM 0 HG SER A 28 -7.566 2.209 3.185 1.00 0.00 H new ATOM 400 N ASP A 29 -6.923 -1.293 3.071 1.00 0.00 N ATOM 401 CA ASP A 29 -7.970 -2.244 2.714 1.00 0.00 C ATOM 402 C ASP A 29 -9.158 -1.530 2.076 1.00 0.00 C ATOM 403 O ASP A 29 -9.789 -2.054 1.158 1.00 0.00 O ATOM 404 CB ASP A 29 -8.429 -3.018 3.951 1.00 0.00 C ATOM 405 CG ASP A 29 -7.410 -4.047 4.400 1.00 0.00 C ATOM 406 OD1 ASP A 29 -6.241 -3.667 4.620 1.00 0.00 O ATOM 407 OD2 ASP A 29 -7.782 -5.232 4.531 1.00 0.00 O ATOM 0 H ASP A 29 -6.797 -1.161 4.075 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.558 -2.945 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.617 -2.318 4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.374 -3.517 3.734 1.00 0.00 H new ATOM 412 N ASP A 30 -9.456 -0.333 2.569 1.00 0.00 N ATOM 413 CA ASP A 30 -10.569 0.453 2.048 1.00 0.00 C ATOM 414 C ASP A 30 -10.121 1.315 0.872 1.00 0.00 C ATOM 415 O ASP A 30 -10.584 2.443 0.704 1.00 0.00 O ATOM 416 CB ASP A 30 -11.157 1.336 3.149 1.00 0.00 C ATOM 417 CG ASP A 30 -10.425 2.657 3.285 1.00 0.00 C ATOM 418 OD1 ASP A 30 -9.193 2.674 3.086 1.00 0.00 O ATOM 419 OD2 ASP A 30 -11.084 3.673 3.591 1.00 0.00 O ATOM 0 H ASP A 30 -8.943 0.114 3.328 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.337 -0.237 1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.208 1.527 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.117 0.802 4.099 1.00 0.00 H new ATOM 424 N CYS A 31 -9.215 0.776 0.061 1.00 0.00 N ATOM 425 CA CYS A 31 -8.703 1.496 -1.098 1.00 0.00 C ATOM 426 C CYS A 31 -9.392 1.029 -2.377 1.00 0.00 C ATOM 427 O CYS A 31 -9.644 1.820 -3.286 1.00 0.00 O ATOM 428 CB CYS A 31 -7.191 1.299 -1.219 1.00 0.00 C ATOM 429 SG CYS A 31 -6.707 -0.231 -2.081 1.00 0.00 S ATOM 0 H CYS A 31 -8.821 -0.157 0.186 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.915 2.556 -0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.766 2.152 -1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.755 1.294 -0.220 1.00 0.00 H new ATOM 434 N LYS A 32 -9.695 -0.263 -2.440 1.00 0.00 N ATOM 435 CA LYS A 32 -10.357 -0.838 -3.606 1.00 0.00 C ATOM 436 C LYS A 32 -11.780 -0.308 -3.740 1.00 0.00 C ATOM 437 O LYS A 32 -12.137 0.289 -4.755 1.00 0.00 O ATOM 438 CB LYS A 32 -10.377 -2.365 -3.504 1.00 0.00 C ATOM 439 CG LYS A 32 -9.019 -3.008 -3.727 1.00 0.00 C ATOM 440 CD LYS A 32 -8.895 -4.324 -2.978 1.00 0.00 C ATOM 441 CE LYS A 32 -7.504 -4.921 -3.125 1.00 0.00 C ATOM 442 NZ LYS A 32 -7.409 -5.820 -4.308 1.00 0.00 N ATOM 0 H LYS A 32 -9.493 -0.932 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.795 -0.546 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.747 -2.650 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.081 -2.760 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.867 -3.179 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.234 -2.326 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.114 -4.165 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.636 -5.029 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.772 -4.119 -3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.251 -5.479 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.522 -6.361 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.216 -6.477 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.423 -5.251 -5.178 1.00 0.00 H new ATOM 456 N ASP A 33 -12.588 -0.530 -2.710 1.00 0.00 N ATOM 457 CA ASP A 33 -13.973 -0.072 -2.712 1.00 0.00 C ATOM 458 C ASP A 33 -14.072 1.356 -3.239 1.00 0.00 C ATOM 459 O ASP A 33 -14.987 1.687 -3.994 1.00 0.00 O ATOM 460 CB ASP A 33 -14.561 -0.150 -1.303 1.00 0.00 C ATOM 461 CG ASP A 33 -14.329 -1.499 -0.652 1.00 0.00 C ATOM 462 OD1 ASP A 33 -13.238 -1.701 -0.077 1.00 0.00 O ATOM 463 OD2 ASP A 33 -15.236 -2.354 -0.719 1.00 0.00 O ATOM 0 H ASP A 33 -12.308 -1.024 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.544 -0.725 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.118 0.630 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.632 0.049 -1.348 1.00 0.00 H new ATOM 468 N GLN A 34 -13.126 2.197 -2.836 1.00 0.00 N ATOM 469 CA GLN A 34 -13.107 3.590 -3.266 1.00 0.00 C ATOM 470 C GLN A 34 -12.468 3.727 -4.644 1.00 0.00 C ATOM 471 O GLN A 34 -13.129 4.100 -5.612 1.00 0.00 O ATOM 472 CB GLN A 34 -12.351 4.451 -2.253 1.00 0.00 C ATOM 473 CG GLN A 34 -13.237 5.021 -1.157 1.00 0.00 C ATOM 474 CD GLN A 34 -12.728 6.347 -0.626 1.00 0.00 C ATOM 475 OE1 GLN A 34 -11.913 6.388 0.297 1.00 0.00 O ATOM 476 NE2 GLN A 34 -13.206 7.441 -1.208 1.00 0.00 N ATOM 0 H GLN A 34 -12.362 1.938 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.139 3.937 -3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.563 3.852 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.864 5.272 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.248 5.153 -1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.300 4.306 -0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.880 7.361 -1.969 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.899 8.362 -0.893 1.00 0.00 H new ATOM 485 N GLY A 35 -11.177 3.420 -4.724 1.00 0.00 N ATOM 486 CA GLY A 35 -10.469 3.515 -5.988 1.00 0.00 C ATOM 487 C GLY A 35 -9.259 4.425 -5.908 1.00 0.00 C ATOM 488 O GLY A 35 -9.105 5.339 -6.718 1.00 0.00 O ATOM 0 H GLY A 35 -10.609 3.107 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.151 2.520 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.149 3.886 -6.755 1.00 0.00 H new ATOM 492 N ASP A 36 -8.397 4.176 -4.927 1.00 0.00 N ATOM 493 CA ASP A 36 -7.194 4.979 -4.744 1.00 0.00 C ATOM 494 C ASP A 36 -5.947 4.101 -4.758 1.00 0.00 C ATOM 495 O ASP A 36 -4.834 4.588 -4.956 1.00 0.00 O ATOM 496 CB ASP A 36 -7.271 5.757 -3.429 1.00 0.00 C ATOM 497 CG ASP A 36 -8.149 6.988 -3.536 1.00 0.00 C ATOM 498 OD1 ASP A 36 -8.093 7.668 -4.582 1.00 0.00 O ATOM 499 OD2 ASP A 36 -8.891 7.272 -2.573 1.00 0.00 O ATOM 0 H ASP A 36 -8.510 3.424 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.128 5.685 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.658 5.105 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.267 6.055 -3.127 1.00 0.00 H new ATOM 504 N CYS A 37 -6.140 2.804 -4.545 1.00 0.00 N ATOM 505 CA CYS A 37 -5.031 1.857 -4.531 1.00 0.00 C ATOM 506 C CYS A 37 -3.949 2.272 -5.524 1.00 0.00 C ATOM 507 O CYS A 37 -4.176 2.290 -6.734 1.00 0.00 O ATOM 508 CB CYS A 37 -5.531 0.450 -4.862 1.00 0.00 C ATOM 509 SG CYS A 37 -7.088 -0.001 -4.032 1.00 0.00 S ATOM 0 H CYS A 37 -7.055 2.384 -4.380 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.599 1.855 -3.530 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.670 0.370 -5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.762 -0.271 -4.585 1.00 0.00 H new ATOM 514 N CYS A 38 -2.772 2.605 -5.004 1.00 0.00 N ATOM 515 CA CYS A 38 -1.655 3.019 -5.843 1.00 0.00 C ATOM 516 C CYS A 38 -1.493 2.081 -7.036 1.00 0.00 C ATOM 517 O CYS A 38 -1.750 0.881 -6.934 1.00 0.00 O ATOM 518 CB CYS A 38 -0.361 3.052 -5.026 1.00 0.00 C ATOM 519 SG CYS A 38 -0.564 3.710 -3.340 1.00 0.00 S ATOM 0 H CYS A 38 -2.568 2.596 -4.005 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.866 4.021 -6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.043 2.042 -4.964 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.375 3.658 -5.555 1.00 0.00 H new ATOM 524 N ILE A 39 -1.065 2.636 -8.164 1.00 0.00 N ATOM 525 CA ILE A 39 -0.867 1.851 -9.375 1.00 0.00 C ATOM 526 C ILE A 39 -0.181 0.525 -9.064 1.00 0.00 C ATOM 527 O ILE A 39 -0.597 -0.530 -9.543 1.00 0.00 O ATOM 528 CB ILE A 39 -0.028 2.617 -10.414 1.00 0.00 C ATOM 529 CG1 ILE A 39 0.105 1.799 -11.700 1.00 0.00 C ATOM 530 CG2 ILE A 39 1.344 2.949 -9.847 1.00 0.00 C ATOM 531 CD1 ILE A 39 0.349 2.643 -12.931 1.00 0.00 C ATOM 0 H ILE A 39 -0.848 3.628 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.856 1.659 -9.790 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.537 3.551 -10.652 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.925 1.090 -11.587 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.803 1.214 -11.845 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.925 3.490 -10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.230 3.568 -8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.862 2.027 -9.583 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.433 1.997 -13.805 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.483 3.334 -13.069 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.273 3.208 -12.808 1.00 0.00 H new ATOM 543 N ASN A 40 0.872 0.585 -8.255 1.00 0.00 N ATOM 544 CA ASN A 40 1.616 -0.611 -7.878 1.00 0.00 C ATOM 545 C ASN A 40 1.123 -1.160 -6.542 1.00 0.00 C ATOM 546 O ASN A 40 1.905 -1.675 -5.744 1.00 0.00 O ATOM 547 CB ASN A 40 3.112 -0.302 -7.794 1.00 0.00 C ATOM 548 CG ASN A 40 3.417 0.816 -6.816 1.00 0.00 C ATOM 549 OD1 ASN A 40 3.061 1.971 -7.046 1.00 0.00 O ATOM 550 ND2 ASN A 40 4.081 0.476 -5.717 1.00 0.00 N ATOM 0 H ASN A 40 1.229 1.449 -7.848 1.00 0.00 H new ATOM 0 HA ASN A 40 1.451 -1.368 -8.645 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.650 -1.201 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.480 -0.027 -8.783 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.315 1.186 -5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.356 -0.495 -5.567 1.00 0.00 H new ATOM 557 N TYR A 41 -0.179 -1.044 -6.306 1.00 0.00 N ATOM 558 CA TYR A 41 -0.777 -1.526 -5.065 1.00 0.00 C ATOM 559 C TYR A 41 -0.762 -3.050 -5.011 1.00 0.00 C ATOM 560 O TYR A 41 -0.159 -3.645 -4.117 1.00 0.00 O ATOM 561 CB TYR A 41 -2.212 -1.013 -4.934 1.00 0.00 C ATOM 562 CG TYR A 41 -2.962 -1.608 -3.763 1.00 0.00 C ATOM 563 CD1 TYR A 41 -3.443 -2.910 -3.810 1.00 0.00 C ATOM 564 CD2 TYR A 41 -3.189 -0.867 -2.609 1.00 0.00 C ATOM 565 CE1 TYR A 41 -4.130 -3.456 -2.744 1.00 0.00 C ATOM 566 CE2 TYR A 41 -3.872 -1.405 -1.537 1.00 0.00 C ATOM 567 CZ TYR A 41 -4.342 -2.700 -1.610 1.00 0.00 C ATOM 568 OH TYR A 41 -5.024 -3.242 -0.544 1.00 0.00 O ATOM 0 H TYR A 41 -0.841 -0.621 -6.957 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.185 -1.145 -4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.193 0.072 -4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.754 -1.235 -5.853 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.277 -3.506 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.824 0.148 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.499 -4.469 -2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.037 -0.816 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 41 -5.472 -2.528 -0.045 1.00 0.00 H new ATOM 578 N SER A 42 -1.429 -3.676 -5.974 1.00 0.00 N ATOM 579 CA SER A 42 -1.497 -5.132 -6.035 1.00 0.00 C ATOM 580 C SER A 42 -0.151 -5.722 -6.443 1.00 0.00 C ATOM 581 O SER A 42 0.254 -6.773 -5.947 1.00 0.00 O ATOM 582 CB SER A 42 -2.580 -5.573 -7.022 1.00 0.00 C ATOM 583 OG SER A 42 -2.287 -6.849 -7.563 1.00 0.00 O ATOM 0 H SER A 42 -1.930 -3.199 -6.723 1.00 0.00 H new ATOM 0 HA SER A 42 -1.750 -5.501 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.546 -5.601 -6.518 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.662 -4.843 -7.827 1.00 0.00 H new ATOM 0 HG SER A 42 -2.994 -7.109 -8.189 1.00 0.00 H new ATOM 589 N SER A 43 0.538 -5.037 -7.349 1.00 0.00 N ATOM 590 CA SER A 43 1.839 -5.493 -7.826 1.00 0.00 C ATOM 591 C SER A 43 2.800 -5.708 -6.662 1.00 0.00 C ATOM 592 O SER A 43 3.644 -6.604 -6.696 1.00 0.00 O ATOM 593 CB SER A 43 2.428 -4.481 -8.810 1.00 0.00 C ATOM 594 OG SER A 43 3.720 -4.878 -9.237 1.00 0.00 O ATOM 0 H SER A 43 0.218 -4.164 -7.768 1.00 0.00 H new ATOM 0 HA SER A 43 1.698 -6.445 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.770 -4.383 -9.674 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.483 -3.500 -8.338 1.00 0.00 H new ATOM 0 HG SER A 43 4.074 -4.216 -9.866 1.00 0.00 H new ATOM 600 N VAL A 44 2.668 -4.878 -5.632 1.00 0.00 N ATOM 601 CA VAL A 44 3.523 -4.976 -4.456 1.00 0.00 C ATOM 602 C VAL A 44 2.850 -5.784 -3.353 1.00 0.00 C ATOM 603 O VAL A 44 3.428 -6.735 -2.824 1.00 0.00 O ATOM 604 CB VAL A 44 3.886 -3.582 -3.909 1.00 0.00 C ATOM 605 CG1 VAL A 44 4.696 -3.707 -2.627 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.647 -2.781 -4.954 1.00 0.00 C ATOM 0 H VAL A 44 1.976 -4.130 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 44 4.435 -5.484 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 44 2.963 -3.049 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.944 -2.713 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.111 -4.240 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.615 -4.258 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.895 -1.799 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.564 -3.307 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.028 -2.662 -5.843 1.00 0.00 H new ATOM 616 N CYS A 45 1.626 -5.400 -3.009 1.00 0.00 N ATOM 617 CA CYS A 45 0.872 -6.089 -1.968 1.00 0.00 C ATOM 618 C CYS A 45 0.397 -7.455 -2.453 1.00 0.00 C ATOM 619 O CYS A 45 0.889 -8.490 -2.004 1.00 0.00 O ATOM 620 CB CYS A 45 -0.327 -5.244 -1.533 1.00 0.00 C ATOM 621 SG CYS A 45 0.117 -3.759 -0.577 1.00 0.00 S ATOM 0 H CYS A 45 1.134 -4.615 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 45 1.533 -6.237 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.884 -4.939 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.995 -5.862 -0.934 1.00 0.00 H new ATOM 626 N GLN A 46 -0.561 -7.449 -3.374 1.00 0.00 N ATOM 627 CA GLN A 46 -1.104 -8.688 -3.920 1.00 0.00 C ATOM 628 C GLN A 46 -0.180 -9.260 -4.990 1.00 0.00 C ATOM 629 O GLN A 46 -0.416 -9.087 -6.185 1.00 0.00 O ATOM 630 CB GLN A 46 -2.495 -8.445 -4.506 1.00 0.00 C ATOM 631 CG GLN A 46 -3.556 -8.159 -3.456 1.00 0.00 C ATOM 632 CD GLN A 46 -4.963 -8.210 -4.020 1.00 0.00 C ATOM 633 OE1 GLN A 46 -5.405 -7.284 -4.701 1.00 0.00 O ATOM 634 NE2 GLN A 46 -5.675 -9.295 -3.738 1.00 0.00 N ATOM 0 H GLN A 46 -0.977 -6.601 -3.758 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.182 -9.411 -3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.446 -7.605 -5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.794 -9.319 -5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.466 -8.884 -2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.377 -7.175 -3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.269 -10.038 -3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.628 -9.385 -4.090 1.00 0.00 H new ATOM 643 N GLY A 47 0.874 -9.943 -4.552 1.00 0.00 N ATOM 644 CA GLY A 47 1.817 -10.531 -5.485 1.00 0.00 C ATOM 645 C GLY A 47 1.164 -11.533 -6.416 1.00 0.00 C ATOM 646 O GLY A 47 0.008 -11.367 -6.804 1.00 0.00 O ATOM 0 H GLY A 47 1.091 -10.099 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.281 -9.740 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.615 -11.023 -4.929 1.00 0.00 H new ATOM 650 N GLU A 48 1.906 -12.575 -6.777 1.00 0.00 N ATOM 651 CA GLU A 48 1.392 -13.607 -7.670 1.00 0.00 C ATOM 652 C GLU A 48 1.096 -14.892 -6.904 1.00 0.00 C ATOM 653 O GLU A 48 1.992 -15.497 -6.314 1.00 0.00 O ATOM 654 CB GLU A 48 2.395 -13.888 -8.792 1.00 0.00 C ATOM 655 CG GLU A 48 1.784 -14.588 -9.993 1.00 0.00 C ATOM 656 CD GLU A 48 0.557 -13.871 -10.524 1.00 0.00 C ATOM 657 OE1 GLU A 48 0.720 -12.905 -11.298 1.00 0.00 O ATOM 658 OE2 GLU A 48 -0.568 -14.278 -10.165 1.00 0.00 O ATOM 0 H GLU A 48 2.865 -12.727 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 48 0.462 -13.243 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.837 -12.946 -9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.206 -14.501 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.529 -14.660 -10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.514 -15.607 -9.716 1.00 0.00 H new ATOM 665 N LYS A 49 -0.167 -15.304 -6.917 1.00 0.00 N ATOM 666 CA LYS A 49 -0.583 -16.517 -6.224 1.00 0.00 C ATOM 667 C LYS A 49 -1.186 -17.521 -7.200 1.00 0.00 C ATOM 668 O LYS A 49 -2.198 -18.159 -6.905 1.00 0.00 O ATOM 669 CB LYS A 49 -1.600 -16.182 -5.129 1.00 0.00 C ATOM 670 CG LYS A 49 -2.910 -15.629 -5.664 1.00 0.00 C ATOM 671 CD LYS A 49 -4.078 -15.996 -4.764 1.00 0.00 C ATOM 672 CE LYS A 49 -4.738 -17.291 -5.208 1.00 0.00 C ATOM 673 NZ LYS A 49 -3.909 -18.481 -4.871 1.00 0.00 N ATOM 0 H LYS A 49 -0.921 -14.815 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 49 0.300 -16.964 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.805 -17.081 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.160 -15.455 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.841 -14.544 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.087 -16.016 -6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.729 -16.098 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.812 -15.191 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.714 -17.382 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.909 -17.261 -6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.456 -19.347 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.052 -18.485 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.639 -18.443 -3.867 1.00 0.00 H new ATOM 687 N SER A 50 -0.559 -17.658 -8.364 1.00 0.00 N ATOM 688 CA SER A 50 -1.034 -18.584 -9.385 1.00 0.00 C ATOM 689 C SER A 50 -1.581 -19.859 -8.750 1.00 0.00 C ATOM 690 O SER A 50 -2.683 -20.302 -9.071 1.00 0.00 O ATOM 691 CB SER A 50 0.094 -18.928 -10.359 1.00 0.00 C ATOM 692 OG SER A 50 -0.410 -19.567 -11.519 1.00 0.00 O ATOM 0 H SER A 50 0.280 -17.139 -8.623 1.00 0.00 H new ATOM 0 HA SER A 50 -1.840 -18.097 -9.934 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.624 -18.019 -10.642 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.817 -19.578 -9.867 1.00 0.00 H new ATOM 0 HG SER A 50 0.331 -19.775 -12.126 1.00 0.00 H new ATOM 698 N SER A 51 -0.800 -20.445 -7.849 1.00 0.00 N ATOM 699 CA SER A 51 -1.203 -21.672 -7.171 1.00 0.00 C ATOM 700 C SER A 51 -1.800 -21.365 -5.800 1.00 0.00 C ATOM 701 O SER A 51 -1.270 -20.545 -5.051 1.00 0.00 O ATOM 702 CB SER A 51 -0.005 -22.612 -7.020 1.00 0.00 C ATOM 703 OG SER A 51 0.948 -22.082 -6.115 1.00 0.00 O ATOM 0 H SER A 51 0.115 -20.091 -7.571 1.00 0.00 H new ATOM 0 HA SER A 51 -1.965 -22.160 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.345 -23.585 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.461 -22.771 -7.992 1.00 0.00 H new ATOM 0 HG SER A 51 1.703 -22.702 -6.035 1.00 0.00 H new ATOM 709 N GLY A 52 -2.905 -22.031 -5.481 1.00 0.00 N ATOM 710 CA GLY A 52 -3.556 -21.816 -4.201 1.00 0.00 C ATOM 711 C GLY A 52 -2.696 -22.253 -3.032 1.00 0.00 C ATOM 712 O GLY A 52 -2.046 -21.441 -2.375 1.00 0.00 O ATOM 0 H GLY A 52 -3.361 -22.715 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.799 -20.759 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.498 -22.364 -4.180 1.00 0.00 H new ATOM 716 N PRO A 53 -2.687 -23.566 -2.758 1.00 0.00 N ATOM 717 CA PRO A 53 -1.907 -24.140 -1.658 1.00 0.00 C ATOM 718 C PRO A 53 -0.405 -24.085 -1.923 1.00 0.00 C ATOM 719 O PRO A 53 0.178 -25.038 -2.440 1.00 0.00 O ATOM 720 CB PRO A 53 -2.387 -25.591 -1.601 1.00 0.00 C ATOM 721 CG PRO A 53 -2.874 -25.884 -2.978 1.00 0.00 C ATOM 722 CD PRO A 53 -3.439 -24.592 -3.500 1.00 0.00 C ATOM 0 HA PRO A 53 -2.052 -23.593 -0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.579 -26.264 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.181 -25.716 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.062 -26.239 -3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.634 -26.666 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.295 -24.496 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.510 -24.518 -3.314 1.00 0.00 H new ATOM 730 N SER A 54 0.214 -22.965 -1.566 1.00 0.00 N ATOM 731 CA SER A 54 1.647 -22.785 -1.768 1.00 0.00 C ATOM 732 C SER A 54 2.443 -23.515 -0.692 1.00 0.00 C ATOM 733 O SER A 54 3.339 -24.305 -0.995 1.00 0.00 O ATOM 734 CB SER A 54 2.002 -21.297 -1.760 1.00 0.00 C ATOM 735 OG SER A 54 1.633 -20.678 -2.980 1.00 0.00 O ATOM 0 H SER A 54 -0.254 -22.168 -1.135 1.00 0.00 H new ATOM 0 HA SER A 54 1.908 -23.208 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.495 -20.804 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.073 -21.176 -1.597 1.00 0.00 H new ATOM 0 HG SER A 54 1.869 -19.727 -2.949 1.00 0.00 H new ATOM 741 N SER A 55 2.111 -23.248 0.566 1.00 0.00 N ATOM 742 CA SER A 55 2.796 -23.876 1.690 1.00 0.00 C ATOM 743 C SER A 55 2.935 -25.379 1.469 1.00 0.00 C ATOM 744 O SER A 55 4.011 -25.948 1.649 1.00 0.00 O ATOM 745 CB SER A 55 2.039 -23.607 2.992 1.00 0.00 C ATOM 746 OG SER A 55 2.768 -24.080 4.112 1.00 0.00 O ATOM 0 H SER A 55 1.370 -22.600 0.834 1.00 0.00 H new ATOM 0 HA SER A 55 3.794 -23.443 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.858 -22.537 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.064 -24.093 2.957 1.00 0.00 H new ATOM 0 HG SER A 55 2.264 -23.895 4.932 1.00 0.00 H new ATOM 752 N GLY A 56 1.836 -26.017 1.078 1.00 0.00 N ATOM 753 CA GLY A 56 1.855 -27.449 0.839 1.00 0.00 C ATOM 754 C GLY A 56 3.039 -27.880 -0.004 1.00 0.00 C ATOM 755 O GLY A 56 3.368 -29.065 -0.062 1.00 0.00 O ATOM 0 H GLY A 56 0.933 -25.568 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.883 -27.973 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.931 -27.743 0.340 1.00 0.00 H new TER 759 GLY A 56