USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 445 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= 0.0267 (180deg=0.00444) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0716 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0798) USER MOD Single : A 9 ASN : amide:sc= -1.21 K(o=-1.2,f=-1.7) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= -0.0606 (180deg=-0.582) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.487 USER MOD Single : A 24 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.23) USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= 0.43 (180deg=-3.07!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= -0.0174 (180deg=-0.199) USER MOD Single : A 43 SER OG : rot -103:sc= 0.119 USER MOD Single : A 51 GLN : amide:sc= -0.0558 X(o=-0.056,f=0) USER MOD Single : A 53 ASN : amide:sc= -6.29! K(o=-6.3!,f=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.056 12.577 -8.202 1.00 0.00 N ATOM 2 CA GLU A 1 -14.765 12.281 -7.517 1.00 0.00 C ATOM 3 C GLU A 1 -15.035 11.475 -6.243 1.00 0.00 C ATOM 4 O GLU A 1 -15.663 11.959 -5.322 1.00 0.00 O ATOM 5 CB GLU A 1 -14.040 13.576 -7.149 1.00 0.00 C ATOM 6 CG GLU A 1 -12.587 13.253 -6.794 1.00 0.00 C ATOM 7 CD GLU A 1 -11.847 14.551 -6.467 1.00 0.00 C ATOM 8 OE1 GLU A 1 -12.385 15.293 -5.662 1.00 0.00 O ATOM 9 OE2 GLU A 1 -10.784 14.727 -7.040 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.872 13.124 -9.067 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.530 11.685 -8.451 1.00 0.00 H new ATOM 0 H3 GLU A 1 -16.668 13.128 -7.567 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.136 11.706 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.076 14.277 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.535 14.057 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -12.551 12.575 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -12.102 12.744 -7.627 1.00 0.00 H new ATOM 18 N ALA A 2 -14.556 10.262 -6.218 1.00 0.00 N ATOM 19 CA ALA A 2 -14.776 9.411 -5.011 1.00 0.00 C ATOM 20 C ALA A 2 -14.038 10.002 -3.804 1.00 0.00 C ATOM 21 O ALA A 2 -13.288 10.949 -3.936 1.00 0.00 O ATOM 22 CB ALA A 2 -14.251 8.003 -5.290 1.00 0.00 C ATOM 0 H ALA A 2 -14.027 9.825 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.842 9.374 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.408 7.376 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.784 7.578 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.186 8.050 -5.516 1.00 0.00 H new ATOM 28 N GLU A 3 -14.267 9.430 -2.655 1.00 0.00 N ATOM 29 CA GLU A 3 -13.586 9.946 -1.430 1.00 0.00 C ATOM 30 C GLU A 3 -12.067 9.785 -1.562 1.00 0.00 C ATOM 31 O GLU A 3 -11.566 8.684 -1.679 1.00 0.00 O ATOM 32 CB GLU A 3 -14.080 9.159 -0.217 1.00 0.00 C ATOM 33 CG GLU A 3 -15.504 9.604 0.126 1.00 0.00 C ATOM 34 CD GLU A 3 -15.971 8.881 1.391 1.00 0.00 C ATOM 35 OE1 GLU A 3 -16.281 7.708 1.261 1.00 0.00 O ATOM 36 OE2 GLU A 3 -15.991 9.544 2.415 1.00 0.00 O ATOM 0 H GLU A 3 -14.889 8.635 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.818 11.004 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.062 8.090 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.419 9.326 0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.533 10.683 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.176 9.381 -0.703 1.00 0.00 H new ATOM 43 N LYS A 4 -11.368 10.887 -1.538 1.00 0.00 N ATOM 44 CA LYS A 4 -9.881 10.816 -1.658 1.00 0.00 C ATOM 45 C LYS A 4 -9.240 10.761 -0.269 1.00 0.00 C ATOM 46 O LYS A 4 -9.868 11.081 0.720 1.00 0.00 O ATOM 47 CB LYS A 4 -9.378 12.051 -2.404 1.00 0.00 C ATOM 48 CG LYS A 4 -9.995 13.304 -1.775 1.00 0.00 C ATOM 49 CD LYS A 4 -9.315 14.545 -2.358 1.00 0.00 C ATOM 50 CE LYS A 4 -9.507 14.559 -3.875 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.416 15.950 -4.401 1.00 0.00 N ATOM 0 H LYS A 4 -11.756 11.825 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.609 9.915 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.290 12.103 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.647 11.989 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.067 13.335 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.871 13.281 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.739 15.447 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.253 14.540 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.749 13.935 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.477 14.131 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.809 15.984 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.955 16.590 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.420 16.248 -4.423 1.00 0.00 H new ATOM 65 N CYS A 5 -7.999 10.358 -0.223 1.00 0.00 N ATOM 66 CA CYS A 5 -7.304 10.276 1.095 1.00 0.00 C ATOM 67 C CYS A 5 -6.553 11.580 1.383 1.00 0.00 C ATOM 68 O CYS A 5 -6.752 12.574 0.714 1.00 0.00 O ATOM 69 CB CYS A 5 -6.321 9.109 1.071 1.00 0.00 C ATOM 70 SG CYS A 5 -7.023 7.444 0.956 1.00 0.00 S ATOM 0 H CYS A 5 -7.441 10.084 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.043 10.120 1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.647 9.251 0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.714 9.159 1.975 1.00 0.00 H new ATOM 75 N THR A 6 -5.703 11.540 2.376 1.00 0.00 N ATOM 76 CA THR A 6 -4.933 12.766 2.741 1.00 0.00 C ATOM 77 C THR A 6 -3.479 12.659 2.261 1.00 0.00 C ATOM 78 O THR A 6 -3.174 12.951 1.121 1.00 0.00 O ATOM 79 CB THR A 6 -4.957 12.920 4.263 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.033 11.587 4.761 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.238 13.600 4.738 1.00 0.00 C ATOM 0 H THR A 6 -5.509 10.717 2.947 1.00 0.00 H new ATOM 0 HA THR A 6 -5.389 13.632 2.261 1.00 0.00 H new ATOM 0 HB THR A 6 -4.095 13.500 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.051 11.604 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.220 13.692 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.311 14.591 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.099 13.003 4.439 1.00 0.00 H new ATOM 89 N LYS A 7 -2.615 12.240 3.145 1.00 0.00 N ATOM 90 CA LYS A 7 -1.173 12.120 2.769 1.00 0.00 C ATOM 91 C LYS A 7 -1.021 11.227 1.513 1.00 0.00 C ATOM 92 O LYS A 7 -1.889 10.430 1.214 1.00 0.00 O ATOM 93 CB LYS A 7 -0.418 11.486 3.941 1.00 0.00 C ATOM 94 CG LYS A 7 0.234 12.587 4.783 1.00 0.00 C ATOM 95 CD LYS A 7 0.553 12.032 6.172 1.00 0.00 C ATOM 96 CE LYS A 7 1.223 13.124 7.007 1.00 0.00 C ATOM 97 NZ LYS A 7 2.632 13.329 6.563 1.00 0.00 N ATOM 0 H LYS A 7 -2.840 11.977 4.104 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.768 13.107 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.103 10.901 4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.342 10.799 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.146 12.939 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.435 13.444 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.361 11.693 6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.210 11.166 6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.666 14.056 6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.204 12.847 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.123 13.946 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.118 12.411 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.639 13.774 5.623 1.00 0.00 H new ATOM 111 N PRO A 8 0.091 11.381 0.793 1.00 0.00 N ATOM 112 CA PRO A 8 0.340 10.573 -0.411 1.00 0.00 C ATOM 113 C PRO A 8 0.322 9.077 -0.071 1.00 0.00 C ATOM 114 O PRO A 8 0.073 8.702 1.057 1.00 0.00 O ATOM 115 CB PRO A 8 1.734 10.988 -0.898 1.00 0.00 C ATOM 116 CG PRO A 8 2.276 12.058 0.096 1.00 0.00 C ATOM 117 CD PRO A 8 1.158 12.350 1.113 1.00 0.00 C ATOM 0 HA PRO A 8 -0.425 10.736 -1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.400 10.126 -0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.682 11.394 -1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.170 11.694 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.559 12.967 -0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.512 12.224 2.136 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.800 13.376 1.023 1.00 0.00 H new ATOM 125 N ASN A 9 0.590 8.261 -1.056 1.00 0.00 N ATOM 126 CA ASN A 9 0.595 6.784 -0.813 1.00 0.00 C ATOM 127 C ASN A 9 -0.767 6.328 -0.278 1.00 0.00 C ATOM 128 O ASN A 9 -1.567 5.784 -1.010 1.00 0.00 O ATOM 129 CB ASN A 9 1.696 6.441 0.192 1.00 0.00 C ATOM 130 CG ASN A 9 2.996 7.143 -0.220 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.644 6.765 -1.176 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.411 8.166 0.476 1.00 0.00 N ATOM 0 H ASN A 9 0.804 8.548 -2.011 1.00 0.00 H new ATOM 0 HA ASN A 9 0.787 6.266 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.401 6.755 1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.848 5.362 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.274 8.643 0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.872 8.489 1.280 1.00 0.00 H new ATOM 139 N GLU A 10 -1.003 6.555 0.987 1.00 0.00 N ATOM 140 CA GLU A 10 -2.316 6.141 1.563 1.00 0.00 C ATOM 141 C GLU A 10 -3.446 6.584 0.632 1.00 0.00 C ATOM 142 O GLU A 10 -3.921 7.699 0.718 1.00 0.00 O ATOM 143 CB GLU A 10 -2.497 6.797 2.934 1.00 0.00 C ATOM 144 CG GLU A 10 -1.629 6.066 3.962 1.00 0.00 C ATOM 145 CD GLU A 10 -1.895 6.649 5.351 1.00 0.00 C ATOM 146 OE1 GLU A 10 -3.062 6.868 5.632 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.916 6.841 6.055 1.00 0.00 O ATOM 0 H GLU A 10 -0.356 7.001 1.637 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.341 5.057 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.217 7.849 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.545 6.759 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.854 5.000 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.575 6.171 3.706 1.00 0.00 H new ATOM 154 N GLN A 11 -3.852 5.691 -0.238 1.00 0.00 N ATOM 155 CA GLN A 11 -4.946 6.032 -1.200 1.00 0.00 C ATOM 156 C GLN A 11 -6.118 5.084 -1.006 1.00 0.00 C ATOM 157 O GLN A 11 -5.969 4.010 -0.465 1.00 0.00 O ATOM 158 CB GLN A 11 -4.423 5.891 -2.622 1.00 0.00 C ATOM 159 CG GLN A 11 -5.122 6.917 -3.518 1.00 0.00 C ATOM 160 CD GLN A 11 -4.966 6.498 -4.980 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.887 5.998 -5.597 1.00 0.00 O ATOM 162 NE2 GLN A 11 -3.819 6.686 -5.573 1.00 0.00 N ATOM 0 H GLN A 11 -3.476 4.747 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.275 7.056 -1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.344 6.047 -2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.607 4.882 -2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.178 6.985 -3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.691 7.906 -3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.043 7.105 -5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.699 6.414 -6.549 1.00 0.00 H new ATOM 171 N TRP A 12 -7.261 5.494 -1.458 1.00 0.00 N ATOM 172 CA TRP A 12 -8.449 4.620 -1.304 1.00 0.00 C ATOM 173 C TRP A 12 -8.256 3.319 -2.059 1.00 0.00 C ATOM 174 O TRP A 12 -7.872 3.322 -3.212 1.00 0.00 O ATOM 175 CB TRP A 12 -9.671 5.317 -1.870 1.00 0.00 C ATOM 176 CG TRP A 12 -10.848 4.334 -1.853 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.239 3.601 -2.897 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.638 4.135 -0.824 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.324 2.952 -2.435 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.644 3.242 -1.132 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.559 4.671 0.441 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.578 2.899 -0.184 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.491 4.327 1.396 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.502 3.439 1.083 1.00 0.00 C ATOM 0 H TRP A 12 -7.426 6.387 -1.923 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.582 4.412 -0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.909 6.202 -1.280 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.476 5.656 -2.888 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.792 3.542 -3.878 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.863 2.300 -3.005 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.766 5.362 0.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.370 2.208 -0.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.431 4.751 2.388 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.233 3.168 1.830 1.00 0.00 H new ATOM 195 N THR A 13 -8.520 2.235 -1.395 1.00 0.00 N ATOM 196 CA THR A 13 -8.394 0.925 -2.072 1.00 0.00 C ATOM 197 C THR A 13 -9.550 0.022 -1.642 1.00 0.00 C ATOM 198 O THR A 13 -9.697 -0.297 -0.476 1.00 0.00 O ATOM 199 CB THR A 13 -7.052 0.280 -1.716 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.946 -0.842 -2.585 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.064 -0.301 -0.311 1.00 0.00 C ATOM 0 H THR A 13 -8.816 2.200 -0.419 1.00 0.00 H new ATOM 0 HA THR A 13 -8.433 1.066 -3.152 1.00 0.00 H new ATOM 0 HB THR A 13 -6.254 1.018 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.102 -1.309 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.095 -0.750 -0.095 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.265 0.492 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.841 -1.062 -0.239 1.00 0.00 H new ATOM 209 N LYS A 14 -10.353 -0.359 -2.594 1.00 0.00 N ATOM 210 CA LYS A 14 -11.516 -1.223 -2.267 1.00 0.00 C ATOM 211 C LYS A 14 -11.048 -2.578 -1.720 1.00 0.00 C ATOM 212 O LYS A 14 -11.812 -3.290 -1.099 1.00 0.00 O ATOM 213 CB LYS A 14 -12.349 -1.438 -3.529 1.00 0.00 C ATOM 214 CG LYS A 14 -13.631 -0.603 -3.428 1.00 0.00 C ATOM 215 CD LYS A 14 -14.322 -0.577 -4.792 1.00 0.00 C ATOM 216 CE LYS A 14 -15.822 -0.809 -4.599 1.00 0.00 C ATOM 217 NZ LYS A 14 -16.074 -2.183 -4.083 1.00 0.00 N ATOM 0 H LYS A 14 -10.254 -0.111 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.118 -0.733 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.778 -1.147 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.595 -2.494 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.298 -1.027 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.394 0.412 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.150 0.381 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.903 -1.347 -5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.223 -0.073 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.343 -0.668 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.986 -2.528 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.313 -2.817 -4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.100 -2.164 -3.043 1.00 0.00 H new ATOM 231 N CYS A 15 -9.806 -2.909 -1.962 1.00 0.00 N ATOM 232 CA CYS A 15 -9.289 -4.217 -1.460 1.00 0.00 C ATOM 233 C CYS A 15 -7.818 -4.108 -1.042 1.00 0.00 C ATOM 234 O CYS A 15 -6.931 -4.120 -1.872 1.00 0.00 O ATOM 235 CB CYS A 15 -9.410 -5.253 -2.568 1.00 0.00 C ATOM 236 SG CYS A 15 -8.155 -6.558 -2.616 1.00 0.00 S ATOM 0 H CYS A 15 -9.135 -2.339 -2.478 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.876 -4.510 -0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.388 -5.727 -2.483 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.391 -4.730 -3.524 1.00 0.00 H new ATOM 241 N GLY A 16 -7.592 -4.005 0.239 1.00 0.00 N ATOM 242 CA GLY A 16 -6.188 -3.919 0.730 1.00 0.00 C ATOM 243 C GLY A 16 -5.695 -5.315 1.125 1.00 0.00 C ATOM 244 O GLY A 16 -5.862 -6.262 0.383 1.00 0.00 O ATOM 0 H GLY A 16 -8.312 -3.977 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.546 -3.502 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.132 -3.247 1.586 1.00 0.00 H new ATOM 248 N GLY A 17 -5.100 -5.413 2.289 1.00 0.00 N ATOM 249 CA GLY A 17 -4.604 -6.744 2.754 1.00 0.00 C ATOM 250 C GLY A 17 -3.081 -6.832 2.661 1.00 0.00 C ATOM 251 O GLY A 17 -2.372 -6.043 3.252 1.00 0.00 O ATOM 0 H GLY A 17 -4.938 -4.637 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.918 -6.912 3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.054 -7.533 2.151 1.00 0.00 H new ATOM 255 N CYS A 18 -2.613 -7.797 1.919 1.00 0.00 N ATOM 256 CA CYS A 18 -1.139 -7.974 1.785 1.00 0.00 C ATOM 257 C CYS A 18 -0.576 -7.070 0.684 1.00 0.00 C ATOM 258 O CYS A 18 -1.249 -6.763 -0.280 1.00 0.00 O ATOM 259 CB CYS A 18 -0.846 -9.430 1.436 1.00 0.00 C ATOM 260 SG CYS A 18 -1.160 -10.672 2.712 1.00 0.00 S ATOM 0 H CYS A 18 -3.183 -8.467 1.402 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.666 -7.704 2.729 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.438 -9.692 0.559 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.202 -9.502 1.146 1.00 0.00 H new ATOM 265 N GLU A 19 0.654 -6.670 0.863 1.00 0.00 N ATOM 266 CA GLU A 19 1.315 -5.799 -0.152 1.00 0.00 C ATOM 267 C GLU A 19 2.716 -6.338 -0.444 1.00 0.00 C ATOM 268 O GLU A 19 2.925 -7.535 -0.464 1.00 0.00 O ATOM 269 CB GLU A 19 1.414 -4.371 0.383 1.00 0.00 C ATOM 270 CG GLU A 19 0.017 -3.858 0.704 1.00 0.00 C ATOM 271 CD GLU A 19 -0.788 -3.731 -0.591 1.00 0.00 C ATOM 272 OE1 GLU A 19 -0.174 -3.360 -1.576 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.975 -4.011 -0.520 1.00 0.00 O ATOM 0 H GLU A 19 1.231 -6.909 1.670 1.00 0.00 H new ATOM 0 HA GLU A 19 0.727 -5.797 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.037 -4.347 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.891 -3.726 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.484 -4.540 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.079 -2.891 1.203 1.00 0.00 H new ATOM 280 N GLY A 20 3.644 -5.451 -0.667 1.00 0.00 N ATOM 281 CA GLY A 20 5.027 -5.910 -0.957 1.00 0.00 C ATOM 282 C GLY A 20 6.054 -4.940 -0.380 1.00 0.00 C ATOM 283 O GLY A 20 5.739 -4.121 0.461 1.00 0.00 O ATOM 0 H GLY A 20 3.507 -4.440 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.181 -6.903 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.168 -5.997 -2.034 1.00 0.00 H new ATOM 287 N THR A 21 7.265 -5.053 -0.848 1.00 0.00 N ATOM 288 CA THR A 21 8.335 -4.148 -0.351 1.00 0.00 C ATOM 289 C THR A 21 9.294 -3.804 -1.489 1.00 0.00 C ATOM 290 O THR A 21 9.031 -4.099 -2.637 1.00 0.00 O ATOM 291 CB THR A 21 9.102 -4.844 0.777 1.00 0.00 C ATOM 292 OG1 THR A 21 9.850 -5.868 0.129 1.00 0.00 O ATOM 293 CG2 THR A 21 8.160 -5.574 1.730 1.00 0.00 C ATOM 0 H THR A 21 7.559 -5.731 -1.551 1.00 0.00 H new ATOM 0 HA THR A 21 7.886 -3.229 0.025 1.00 0.00 H new ATOM 0 HB THR A 21 9.686 -4.112 1.335 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.374 -6.361 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.740 -6.056 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.467 -4.860 2.175 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.599 -6.329 1.179 1.00 0.00 H new ATOM 301 N CYS A 22 10.396 -3.197 -1.147 1.00 0.00 N ATOM 302 CA CYS A 22 11.376 -2.823 -2.203 1.00 0.00 C ATOM 303 C CYS A 22 12.085 -4.077 -2.716 1.00 0.00 C ATOM 304 O CYS A 22 12.968 -3.998 -3.547 1.00 0.00 O ATOM 305 CB CYS A 22 12.405 -1.861 -1.614 1.00 0.00 C ATOM 306 SG CYS A 22 13.377 -0.878 -2.775 1.00 0.00 S ATOM 0 H CYS A 22 10.658 -2.946 -0.194 1.00 0.00 H new ATOM 0 HA CYS A 22 10.854 -2.342 -3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.883 -1.176 -0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.096 -2.440 -1.001 1.00 0.00 H new ATOM 311 N ALA A 23 11.677 -5.209 -2.203 1.00 0.00 N ATOM 312 CA ALA A 23 12.315 -6.490 -2.633 1.00 0.00 C ATOM 313 C ALA A 23 11.251 -7.572 -2.886 1.00 0.00 C ATOM 314 O ALA A 23 11.545 -8.612 -3.438 1.00 0.00 O ATOM 315 CB ALA A 23 13.260 -6.955 -1.530 1.00 0.00 C ATOM 0 H ALA A 23 10.935 -5.302 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 23 12.862 -6.325 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.735 -7.890 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.025 -6.197 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.697 -7.111 -0.610 1.00 0.00 H new ATOM 321 N GLN A 24 10.039 -7.300 -2.478 1.00 0.00 N ATOM 322 CA GLN A 24 8.948 -8.302 -2.687 1.00 0.00 C ATOM 323 C GLN A 24 7.646 -7.578 -3.041 1.00 0.00 C ATOM 324 O GLN A 24 6.642 -7.738 -2.378 1.00 0.00 O ATOM 325 CB GLN A 24 8.750 -9.109 -1.404 1.00 0.00 C ATOM 326 CG GLN A 24 9.834 -10.187 -1.313 1.00 0.00 C ATOM 327 CD GLN A 24 9.546 -11.284 -2.340 1.00 0.00 C ATOM 328 OE1 GLN A 24 10.406 -11.680 -3.101 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.350 -11.802 -2.393 1.00 0.00 N ATOM 0 H GLN A 24 9.757 -6.437 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 24 9.221 -8.972 -3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.800 -8.452 -0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.762 -9.569 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.815 -9.749 -1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.858 -10.611 -0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.623 -11.474 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.141 -12.535 -3.071 1.00 0.00 H new ATOM 338 N LYS A 25 7.698 -6.803 -4.087 1.00 0.00 N ATOM 339 CA LYS A 25 6.490 -6.033 -4.507 1.00 0.00 C ATOM 340 C LYS A 25 5.222 -6.895 -4.415 1.00 0.00 C ATOM 341 O LYS A 25 4.138 -6.370 -4.247 1.00 0.00 O ATOM 342 CB LYS A 25 6.698 -5.542 -5.948 1.00 0.00 C ATOM 343 CG LYS A 25 5.417 -4.881 -6.492 1.00 0.00 C ATOM 344 CD LYS A 25 5.000 -3.711 -5.592 1.00 0.00 C ATOM 345 CE LYS A 25 4.412 -2.611 -6.470 1.00 0.00 C ATOM 346 NZ LYS A 25 3.561 -3.197 -7.545 1.00 0.00 N ATOM 0 H LYS A 25 8.523 -6.668 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 25 6.356 -5.183 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.522 -4.829 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.979 -6.380 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.586 -4.525 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.613 -5.615 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.266 -4.041 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.860 -3.334 -5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.819 -1.929 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.216 -2.024 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.756 -2.566 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.124 -3.308 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.208 -4.127 -7.240 1.00 0.00 H new ATOM 360 N ILE A 26 5.376 -8.191 -4.530 1.00 0.00 N ATOM 361 CA ILE A 26 4.177 -9.081 -4.441 1.00 0.00 C ATOM 362 C ILE A 26 4.441 -10.217 -3.448 1.00 0.00 C ATOM 363 O ILE A 26 5.054 -11.211 -3.784 1.00 0.00 O ATOM 364 CB ILE A 26 3.867 -9.678 -5.823 1.00 0.00 C ATOM 365 CG1 ILE A 26 3.888 -8.576 -6.913 1.00 0.00 C ATOM 366 CG2 ILE A 26 2.484 -10.343 -5.789 1.00 0.00 C ATOM 367 CD1 ILE A 26 2.587 -7.754 -6.884 1.00 0.00 C ATOM 0 H ILE A 26 6.266 -8.666 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 26 3.326 -8.492 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 26 4.629 -10.418 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.743 -7.918 -6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.014 -9.032 -7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.260 -10.768 -6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.479 -11.135 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.729 -9.599 -5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.624 -6.987 -7.657 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.737 -8.412 -7.066 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.477 -7.281 -5.908 1.00 0.00 H new ATOM 379 N VAL A 27 3.969 -10.042 -2.246 1.00 0.00 N ATOM 380 CA VAL A 27 4.177 -11.096 -1.213 1.00 0.00 C ATOM 381 C VAL A 27 3.059 -12.176 -1.343 1.00 0.00 C ATOM 382 O VAL A 27 1.900 -11.832 -1.469 1.00 0.00 O ATOM 383 CB VAL A 27 4.090 -10.437 0.167 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.626 -10.133 0.490 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.652 -11.385 1.226 1.00 0.00 C ATOM 0 H VAL A 27 3.451 -9.220 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 27 5.150 -11.570 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 27 4.668 -9.513 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.560 -9.664 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.220 -9.458 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.054 -11.061 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.589 -10.914 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.075 -12.309 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.694 -11.609 0.998 1.00 0.00 H new ATOM 395 N PRO A 28 3.413 -13.469 -1.313 1.00 0.00 N ATOM 396 CA PRO A 28 2.397 -14.527 -1.427 1.00 0.00 C ATOM 397 C PRO A 28 1.349 -14.399 -0.314 1.00 0.00 C ATOM 398 O PRO A 28 1.683 -14.182 0.834 1.00 0.00 O ATOM 399 CB PRO A 28 3.164 -15.847 -1.290 1.00 0.00 C ATOM 400 CG PRO A 28 4.667 -15.495 -1.085 1.00 0.00 C ATOM 401 CD PRO A 28 4.798 -13.964 -1.167 1.00 0.00 C ATOM 0 HA PRO A 28 1.859 -14.465 -2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.787 -16.424 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.032 -16.462 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.018 -15.859 -0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.281 -15.974 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.269 -13.560 -0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.415 -13.665 -2.014 1.00 0.00 H new ATOM 409 N CYS A 29 0.105 -14.536 -0.680 1.00 0.00 N ATOM 410 CA CYS A 29 -0.979 -14.425 0.340 1.00 0.00 C ATOM 411 C CYS A 29 -2.292 -14.982 -0.227 1.00 0.00 C ATOM 412 O CYS A 29 -2.781 -14.517 -1.237 1.00 0.00 O ATOM 413 CB CYS A 29 -1.165 -12.954 0.716 1.00 0.00 C ATOM 414 SG CYS A 29 -0.157 -12.308 2.075 1.00 0.00 S ATOM 0 H CYS A 29 -0.208 -14.719 -1.633 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.704 -15.000 1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.962 -12.352 -0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.213 -12.802 0.972 1.00 0.00 H new ATOM 419 N THR A 30 -2.835 -15.966 0.439 1.00 0.00 N ATOM 420 CA THR A 30 -4.111 -16.566 -0.054 1.00 0.00 C ATOM 421 C THR A 30 -5.316 -15.852 0.571 1.00 0.00 C ATOM 422 O THR A 30 -6.447 -16.235 0.351 1.00 0.00 O ATOM 423 CB THR A 30 -4.145 -18.050 0.326 1.00 0.00 C ATOM 424 OG1 THR A 30 -4.155 -18.063 1.750 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.853 -18.761 -0.075 1.00 0.00 C ATOM 0 H THR A 30 -2.457 -16.377 1.293 1.00 0.00 H new ATOM 0 HA THR A 30 -4.162 -16.455 -1.137 1.00 0.00 H new ATOM 0 HB THR A 30 -4.993 -18.537 -0.156 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.179 -18.989 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.912 -19.811 0.210 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.715 -18.685 -1.154 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.009 -18.295 0.432 1.00 0.00 H new ATOM 433 N ARG A 31 -5.047 -14.829 1.334 1.00 0.00 N ATOM 434 CA ARG A 31 -6.169 -14.081 1.978 1.00 0.00 C ATOM 435 C ARG A 31 -7.161 -13.598 0.913 1.00 0.00 C ATOM 436 O ARG A 31 -7.099 -14.020 -0.226 1.00 0.00 O ATOM 437 CB ARG A 31 -5.600 -12.882 2.730 1.00 0.00 C ATOM 438 CG ARG A 31 -4.682 -13.385 3.846 1.00 0.00 C ATOM 439 CD ARG A 31 -4.249 -12.203 4.713 1.00 0.00 C ATOM 440 NE ARG A 31 -2.764 -12.212 4.830 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.208 -12.627 5.934 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.658 -12.176 7.074 1.00 0.00 N ATOM 443 NH2 ARG A 31 -1.221 -13.476 5.862 1.00 0.00 N ATOM 0 H ARG A 31 -4.111 -14.480 1.539 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.692 -14.739 2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.045 -12.238 2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.408 -12.282 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.201 -14.126 4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.808 -13.878 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.587 -11.266 4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.706 -12.272 5.700 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.186 -11.896 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.431 -11.511 7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.236 -12.489 7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.896 -13.804 4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.774 -13.812 6.715 1.00 0.00 H new ATOM 457 N GLU A 32 -8.051 -12.719 1.309 1.00 0.00 N ATOM 458 CA GLU A 32 -9.059 -12.196 0.339 1.00 0.00 C ATOM 459 C GLU A 32 -8.780 -10.725 0.037 1.00 0.00 C ATOM 460 O GLU A 32 -8.148 -10.400 -0.946 1.00 0.00 O ATOM 461 CB GLU A 32 -10.455 -12.329 0.951 1.00 0.00 C ATOM 462 CG GLU A 32 -10.916 -13.784 0.848 1.00 0.00 C ATOM 463 CD GLU A 32 -12.341 -13.901 1.392 1.00 0.00 C ATOM 464 OE1 GLU A 32 -13.206 -13.298 0.778 1.00 0.00 O ATOM 465 OE2 GLU A 32 -12.485 -14.586 2.391 1.00 0.00 O ATOM 0 H GLU A 32 -8.121 -12.345 2.255 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.999 -12.768 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.439 -12.014 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.156 -11.676 0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.882 -14.116 -0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.245 -14.431 1.412 1.00 0.00 H new ATOM 472 N CYS A 33 -9.246 -9.869 0.906 1.00 0.00 N ATOM 473 CA CYS A 33 -9.035 -8.401 0.691 1.00 0.00 C ATOM 474 C CYS A 33 -9.507 -7.618 1.924 1.00 0.00 C ATOM 475 O CYS A 33 -10.541 -7.915 2.490 1.00 0.00 O ATOM 476 CB CYS A 33 -9.853 -7.945 -0.523 1.00 0.00 C ATOM 477 SG CYS A 33 -9.169 -8.250 -2.172 1.00 0.00 S ATOM 0 H CYS A 33 -9.761 -10.116 1.751 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.974 -8.215 0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.827 -8.431 -0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.025 -6.873 -0.426 1.00 0.00 H new ATOM 482 N LYS A 34 -8.744 -6.632 2.318 1.00 0.00 N ATOM 483 CA LYS A 34 -9.159 -5.824 3.504 1.00 0.00 C ATOM 484 C LYS A 34 -10.362 -4.938 3.111 1.00 0.00 C ATOM 485 O LYS A 34 -10.561 -4.661 1.943 1.00 0.00 O ATOM 486 CB LYS A 34 -7.986 -4.947 3.945 1.00 0.00 C ATOM 487 CG LYS A 34 -7.283 -5.610 5.133 1.00 0.00 C ATOM 488 CD LYS A 34 -6.078 -4.762 5.543 1.00 0.00 C ATOM 489 CE LYS A 34 -5.517 -5.294 6.862 1.00 0.00 C ATOM 490 NZ LYS A 34 -5.012 -6.685 6.691 1.00 0.00 N ATOM 0 H LYS A 34 -7.866 -6.354 1.879 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.447 -6.479 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.286 -4.813 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.342 -3.955 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.974 -5.710 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.960 -6.616 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.313 -4.797 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.373 -3.718 5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.710 -4.648 7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.292 -5.274 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.485 -6.970 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.815 -7.331 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.383 -6.727 5.864 1.00 0.00 H new ATOM 504 N PRO A 35 -11.149 -4.503 4.087 1.00 0.00 N ATOM 505 CA PRO A 35 -12.317 -3.663 3.797 1.00 0.00 C ATOM 506 C PRO A 35 -11.890 -2.367 3.056 1.00 0.00 C ATOM 507 O PRO A 35 -10.751 -1.953 3.146 1.00 0.00 O ATOM 508 CB PRO A 35 -12.917 -3.317 5.164 1.00 0.00 C ATOM 509 CG PRO A 35 -12.022 -3.990 6.250 1.00 0.00 C ATOM 510 CD PRO A 35 -10.941 -4.803 5.517 1.00 0.00 C ATOM 0 HA PRO A 35 -13.031 -4.176 3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.948 -2.237 5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.943 -3.677 5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.566 -3.237 6.892 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.619 -4.637 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.941 -4.514 5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.045 -5.870 5.717 1.00 0.00 H new ATOM 518 N PRO A 36 -12.823 -1.752 2.336 1.00 0.00 N ATOM 519 CA PRO A 36 -12.535 -0.505 1.603 1.00 0.00 C ATOM 520 C PRO A 36 -12.036 0.592 2.551 1.00 0.00 C ATOM 521 O PRO A 36 -12.748 1.009 3.443 1.00 0.00 O ATOM 522 CB PRO A 36 -13.876 -0.080 0.997 1.00 0.00 C ATOM 523 CG PRO A 36 -14.929 -1.158 1.375 1.00 0.00 C ATOM 524 CD PRO A 36 -14.207 -2.243 2.189 1.00 0.00 C ATOM 0 HA PRO A 36 -11.759 -0.659 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.175 0.897 1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.794 0.011 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.738 -0.716 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.378 -1.586 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.680 -2.388 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.232 -3.204 1.676 1.00 0.00 H new ATOM 532 N ARG A 37 -10.828 1.047 2.332 1.00 0.00 N ATOM 533 CA ARG A 37 -10.284 2.125 3.217 1.00 0.00 C ATOM 534 C ARG A 37 -8.935 2.623 2.680 1.00 0.00 C ATOM 535 O ARG A 37 -8.302 1.968 1.880 1.00 0.00 O ATOM 536 CB ARG A 37 -10.086 1.563 4.636 1.00 0.00 C ATOM 537 CG ARG A 37 -9.920 2.713 5.648 1.00 0.00 C ATOM 538 CD ARG A 37 -8.572 2.573 6.357 1.00 0.00 C ATOM 539 NE ARG A 37 -8.579 1.326 7.171 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.204 1.377 8.421 1.00 0.00 C ATOM 541 NH1 ARG A 37 -6.939 1.547 8.693 1.00 0.00 N ATOM 542 NH2 ARG A 37 -9.107 1.258 9.355 1.00 0.00 N ATOM 0 H ARG A 37 -10.203 0.726 1.592 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.988 2.957 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.941 0.946 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.207 0.919 4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.977 3.674 5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.731 2.692 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.764 2.541 5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.391 3.438 6.995 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.873 0.442 6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.262 1.638 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.627 1.589 9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.087 1.128 9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.833 1.295 10.337 1.00 0.00 H new ATOM 556 N CYS A 38 -8.537 3.787 3.120 1.00 0.00 N ATOM 557 CA CYS A 38 -7.220 4.329 2.669 1.00 0.00 C ATOM 558 C CYS A 38 -6.106 3.328 3.001 1.00 0.00 C ATOM 559 O CYS A 38 -5.996 2.874 4.123 1.00 0.00 O ATOM 560 CB CYS A 38 -6.950 5.651 3.387 1.00 0.00 C ATOM 561 SG CYS A 38 -7.823 7.115 2.780 1.00 0.00 S ATOM 0 H CYS A 38 -9.059 4.381 3.765 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.243 4.493 1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.200 5.521 4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.880 5.851 3.336 1.00 0.00 H new ATOM 566 N GLU A 39 -5.304 3.005 2.022 1.00 0.00 N ATOM 567 CA GLU A 39 -4.200 2.029 2.279 1.00 0.00 C ATOM 568 C GLU A 39 -3.166 2.072 1.147 1.00 0.00 C ATOM 569 O GLU A 39 -3.185 2.958 0.316 1.00 0.00 O ATOM 570 CB GLU A 39 -4.794 0.622 2.376 1.00 0.00 C ATOM 571 CG GLU A 39 -4.491 0.042 3.761 1.00 0.00 C ATOM 572 CD GLU A 39 -5.050 -1.380 3.849 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.323 -2.274 3.450 1.00 0.00 O ATOM 574 OE2 GLU A 39 -6.174 -1.492 4.311 1.00 0.00 O ATOM 0 H GLU A 39 -5.361 3.366 1.070 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.702 2.292 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.871 0.657 2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.373 -0.018 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.415 0.033 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.935 0.668 4.535 1.00 0.00 H new ATOM 581 N CYS A 40 -2.280 1.109 1.143 1.00 0.00 N ATOM 582 CA CYS A 40 -1.233 1.074 0.077 1.00 0.00 C ATOM 583 C CYS A 40 -1.804 0.477 -1.215 1.00 0.00 C ATOM 584 O CYS A 40 -2.854 -0.133 -1.208 1.00 0.00 O ATOM 585 CB CYS A 40 -0.060 0.222 0.557 1.00 0.00 C ATOM 586 SG CYS A 40 1.602 0.731 0.055 1.00 0.00 S ATOM 0 H CYS A 40 -2.236 0.352 1.825 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.898 2.091 -0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.088 0.193 1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.220 -0.798 0.207 1.00 0.00 H new ATOM 591 N ILE A 41 -1.088 0.666 -2.296 1.00 0.00 N ATOM 592 CA ILE A 41 -1.567 0.129 -3.608 1.00 0.00 C ATOM 593 C ILE A 41 -0.394 -0.494 -4.384 1.00 0.00 C ATOM 594 O ILE A 41 0.451 0.209 -4.904 1.00 0.00 O ATOM 595 CB ILE A 41 -2.163 1.278 -4.433 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.192 2.042 -3.588 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.854 0.707 -5.673 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.510 3.237 -2.906 1.00 0.00 C ATOM 0 H ILE A 41 -0.199 1.165 -2.328 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.323 -0.636 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.365 1.957 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.011 2.388 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.625 1.380 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.278 1.521 -6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.127 0.164 -6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.650 0.028 -5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.241 3.779 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.706 2.879 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.098 3.902 -3.665 1.00 0.00 H new ATOM 610 N ALA A 42 -0.371 -1.799 -4.451 1.00 0.00 N ATOM 611 CA ALA A 42 0.742 -2.474 -5.188 1.00 0.00 C ATOM 612 C ALA A 42 0.552 -2.319 -6.703 1.00 0.00 C ATOM 613 O ALA A 42 1.478 -1.991 -7.417 1.00 0.00 O ATOM 614 CB ALA A 42 0.755 -3.964 -4.831 1.00 0.00 C ATOM 0 H ALA A 42 -1.064 -2.421 -4.034 1.00 0.00 H new ATOM 0 HA ALA A 42 1.687 -2.012 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.565 -4.459 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.905 -4.080 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.196 -4.414 -5.115 1.00 0.00 H new ATOM 620 N SER A 43 -0.648 -2.541 -7.155 1.00 0.00 N ATOM 621 CA SER A 43 -0.918 -2.434 -8.621 1.00 0.00 C ATOM 622 C SER A 43 -0.501 -1.059 -9.155 1.00 0.00 C ATOM 623 O SER A 43 -0.557 -0.819 -10.345 1.00 0.00 O ATOM 624 CB SER A 43 -2.411 -2.642 -8.869 1.00 0.00 C ATOM 625 OG SER A 43 -3.032 -2.143 -7.694 1.00 0.00 O ATOM 0 H SER A 43 -1.452 -2.791 -6.580 1.00 0.00 H new ATOM 0 HA SER A 43 -0.338 -3.196 -9.141 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.746 -2.104 -9.756 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.646 -3.695 -9.027 1.00 0.00 H new ATOM 0 HG SER A 43 -3.312 -2.893 -7.128 1.00 0.00 H new ATOM 631 N ALA A 44 -0.087 -0.189 -8.269 1.00 0.00 N ATOM 632 CA ALA A 44 0.332 1.177 -8.720 1.00 0.00 C ATOM 633 C ALA A 44 1.857 1.301 -8.712 1.00 0.00 C ATOM 634 O ALA A 44 2.445 1.802 -9.650 1.00 0.00 O ATOM 635 CB ALA A 44 -0.257 2.216 -7.779 1.00 0.00 C ATOM 0 H ALA A 44 -0.021 -0.360 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.030 1.339 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.045 3.212 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.345 2.144 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.106 2.038 -6.767 1.00 0.00 H new ATOM 641 N GLY A 45 2.462 0.836 -7.650 1.00 0.00 N ATOM 642 CA GLY A 45 3.951 0.919 -7.552 1.00 0.00 C ATOM 643 C GLY A 45 4.379 1.395 -6.158 1.00 0.00 C ATOM 644 O GLY A 45 5.426 1.996 -6.000 1.00 0.00 O ATOM 0 H GLY A 45 1.995 0.406 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.389 -0.058 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.332 1.605 -8.308 1.00 0.00 H new ATOM 648 N PHE A 46 3.560 1.115 -5.176 1.00 0.00 N ATOM 649 CA PHE A 46 3.907 1.542 -3.783 1.00 0.00 C ATOM 650 C PHE A 46 4.492 0.362 -2.990 1.00 0.00 C ATOM 651 O PHE A 46 4.051 -0.762 -3.137 1.00 0.00 O ATOM 652 CB PHE A 46 2.642 2.041 -3.084 1.00 0.00 C ATOM 653 CG PHE A 46 2.219 3.389 -3.678 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.762 4.570 -3.202 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.287 3.442 -4.700 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.374 5.782 -3.741 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.904 4.657 -5.234 1.00 0.00 C ATOM 658 CZ PHE A 46 1.448 5.824 -4.755 1.00 0.00 C ATOM 0 H PHE A 46 2.676 0.615 -5.274 1.00 0.00 H new ATOM 0 HA PHE A 46 4.650 2.338 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.839 1.313 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.823 2.145 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.492 4.544 -2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.857 2.528 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.800 6.700 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.175 4.690 -6.030 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.148 6.773 -5.175 1.00 0.00 H new ATOM 668 N VAL A 47 5.474 0.651 -2.168 1.00 0.00 N ATOM 669 CA VAL A 47 6.103 -0.433 -1.339 1.00 0.00 C ATOM 670 C VAL A 47 6.081 -0.037 0.136 1.00 0.00 C ATOM 671 O VAL A 47 6.023 1.130 0.466 1.00 0.00 O ATOM 672 CB VAL A 47 7.555 -0.641 -1.780 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.583 -1.464 -3.065 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.211 0.714 -2.039 1.00 0.00 C ATOM 0 H VAL A 47 5.866 1.583 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 47 5.540 -1.356 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 47 8.098 -1.166 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.616 -1.612 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.115 -2.432 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.038 -0.936 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.244 0.564 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.666 1.238 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.192 1.308 -1.125 1.00 0.00 H new ATOM 684 N ARG A 48 6.133 -1.017 0.996 1.00 0.00 N ATOM 685 CA ARG A 48 6.111 -0.709 2.454 1.00 0.00 C ATOM 686 C ARG A 48 7.534 -0.652 3.018 1.00 0.00 C ATOM 687 O ARG A 48 8.307 -1.575 2.856 1.00 0.00 O ATOM 688 CB ARG A 48 5.319 -1.795 3.177 1.00 0.00 C ATOM 689 CG ARG A 48 3.894 -1.822 2.629 1.00 0.00 C ATOM 690 CD ARG A 48 3.021 -2.672 3.549 1.00 0.00 C ATOM 691 NE ARG A 48 2.827 -1.949 4.837 1.00 0.00 N ATOM 692 CZ ARG A 48 2.144 -2.515 5.795 1.00 0.00 C ATOM 693 NH1 ARG A 48 1.932 -3.801 5.743 1.00 0.00 N ATOM 694 NH2 ARG A 48 1.698 -1.776 6.774 1.00 0.00 N ATOM 0 H ARG A 48 6.189 -2.007 0.756 1.00 0.00 H new ATOM 0 HA ARG A 48 5.642 0.263 2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.795 -2.765 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.306 -1.600 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.497 -0.809 2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.887 -2.232 1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.058 -2.868 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.492 -3.639 3.727 1.00 0.00 H new ATOM 0 HE ARG A 48 3.225 -1.019 4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.298 -4.347 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.401 -4.261 6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.885 -0.773 6.782 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.163 -2.201 7.531 1.00 0.00 H new ATOM 708 N ASP A 49 7.846 0.437 3.669 1.00 0.00 N ATOM 709 CA ASP A 49 9.208 0.574 4.260 1.00 0.00 C ATOM 710 C ASP A 49 9.283 -0.203 5.574 1.00 0.00 C ATOM 711 O ASP A 49 8.278 -0.406 6.232 1.00 0.00 O ATOM 712 CB ASP A 49 9.495 2.050 4.528 1.00 0.00 C ATOM 713 CG ASP A 49 11.007 2.261 4.627 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.532 1.927 5.676 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.550 2.744 3.648 1.00 0.00 O ATOM 0 H ASP A 49 7.223 1.231 3.816 1.00 0.00 H new ATOM 0 HA ASP A 49 9.945 0.175 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.082 2.664 3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.011 2.364 5.453 1.00 0.00 H new ATOM 720 N ALA A 50 10.473 -0.608 5.932 1.00 0.00 N ATOM 721 CA ALA A 50 10.644 -1.383 7.194 1.00 0.00 C ATOM 722 C ALA A 50 9.825 -0.748 8.313 1.00 0.00 C ATOM 723 O ALA A 50 9.398 -1.418 9.232 1.00 0.00 O ATOM 724 CB ALA A 50 12.122 -1.386 7.583 1.00 0.00 C ATOM 0 H ALA A 50 11.330 -0.436 5.407 1.00 0.00 H new ATOM 0 HA ALA A 50 10.299 -2.405 7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.254 -1.951 8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.707 -1.848 6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.461 -0.361 7.734 1.00 0.00 H new ATOM 730 N GLN A 51 9.623 0.531 8.208 1.00 0.00 N ATOM 731 CA GLN A 51 8.825 1.232 9.254 1.00 0.00 C ATOM 732 C GLN A 51 7.335 1.019 8.990 1.00 0.00 C ATOM 733 O GLN A 51 6.506 1.791 9.429 1.00 0.00 O ATOM 734 CB GLN A 51 9.145 2.725 9.214 1.00 0.00 C ATOM 735 CG GLN A 51 10.615 2.935 9.582 1.00 0.00 C ATOM 736 CD GLN A 51 10.852 4.415 9.893 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.655 5.072 9.260 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.176 4.977 10.858 1.00 0.00 N ATOM 0 H GLN A 51 9.971 1.120 7.452 1.00 0.00 H new ATOM 0 HA GLN A 51 9.076 0.831 10.236 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.946 3.125 8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.503 3.265 9.910 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.877 2.324 10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.257 2.617 8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.501 4.431 11.393 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.323 5.962 11.077 1.00 0.00 H new ATOM 747 N GLY A 52 7.026 -0.029 8.275 1.00 0.00 N ATOM 748 CA GLY A 52 5.599 -0.306 7.963 1.00 0.00 C ATOM 749 C GLY A 52 4.950 0.945 7.382 1.00 0.00 C ATOM 750 O GLY A 52 3.796 1.226 7.641 1.00 0.00 O ATOM 0 H GLY A 52 7.696 -0.699 7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.525 -1.130 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.072 -0.615 8.866 1.00 0.00 H new ATOM 754 N ASN A 53 5.714 1.669 6.603 1.00 0.00 N ATOM 755 CA ASN A 53 5.173 2.928 5.991 1.00 0.00 C ATOM 756 C ASN A 53 5.046 2.782 4.471 1.00 0.00 C ATOM 757 O ASN A 53 6.012 2.515 3.788 1.00 0.00 O ATOM 758 CB ASN A 53 6.124 4.080 6.309 1.00 0.00 C ATOM 759 CG ASN A 53 5.841 4.596 7.721 1.00 0.00 C ATOM 760 OD1 ASN A 53 4.998 5.447 7.925 1.00 0.00 O ATOM 761 ND2 ASN A 53 6.522 4.109 8.721 1.00 0.00 N ATOM 0 H ASN A 53 6.681 1.448 6.364 1.00 0.00 H new ATOM 0 HA ASN A 53 4.184 3.126 6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.158 3.744 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.995 4.883 5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.346 4.443 9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.231 3.394 8.555 1.00 0.00 H new ATOM 768 N CYS A 54 3.853 2.965 3.972 1.00 0.00 N ATOM 769 CA CYS A 54 3.650 2.843 2.499 1.00 0.00 C ATOM 770 C CYS A 54 4.278 4.037 1.779 1.00 0.00 C ATOM 771 O CYS A 54 3.912 5.171 2.018 1.00 0.00 O ATOM 772 CB CYS A 54 2.152 2.796 2.198 1.00 0.00 C ATOM 773 SG CYS A 54 1.658 2.709 0.459 1.00 0.00 S ATOM 0 H CYS A 54 3.019 3.191 4.513 1.00 0.00 H new ATOM 0 HA CYS A 54 4.127 1.928 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.732 1.932 2.712 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.692 3.682 2.636 1.00 0.00 H new ATOM 778 N ILE A 55 5.214 3.754 0.912 1.00 0.00 N ATOM 779 CA ILE A 55 5.885 4.861 0.171 1.00 0.00 C ATOM 780 C ILE A 55 6.171 4.445 -1.277 1.00 0.00 C ATOM 781 O ILE A 55 6.327 3.278 -1.573 1.00 0.00 O ATOM 782 CB ILE A 55 7.199 5.204 0.874 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.019 3.918 1.090 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.887 5.844 2.232 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.507 4.271 1.145 1.00 0.00 C ATOM 0 H ILE A 55 5.540 2.814 0.687 1.00 0.00 H new ATOM 0 HA ILE A 55 5.228 5.731 0.157 1.00 0.00 H new ATOM 0 HB ILE A 55 7.773 5.899 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.715 3.430 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.830 3.212 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.819 6.092 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.304 6.752 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.316 5.144 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.091 3.363 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.805 4.740 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.687 4.961 1.969 1.00 0.00 H new ATOM 797 N LYS A 56 6.232 5.416 -2.147 1.00 0.00 N ATOM 798 CA LYS A 56 6.511 5.102 -3.582 1.00 0.00 C ATOM 799 C LYS A 56 7.804 4.289 -3.707 1.00 0.00 C ATOM 800 O LYS A 56 8.616 4.266 -2.803 1.00 0.00 O ATOM 801 CB LYS A 56 6.668 6.408 -4.362 1.00 0.00 C ATOM 802 CG LYS A 56 5.347 7.175 -4.337 1.00 0.00 C ATOM 803 CD LYS A 56 5.539 8.525 -5.030 1.00 0.00 C ATOM 804 CE LYS A 56 4.168 9.140 -5.320 1.00 0.00 C ATOM 805 NZ LYS A 56 3.831 9.010 -6.765 1.00 0.00 N ATOM 0 H LYS A 56 6.102 6.405 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 56 5.682 4.520 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.461 7.013 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.960 6.197 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.569 6.601 -4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.018 7.324 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.124 9.192 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.097 8.395 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.406 8.645 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.167 10.192 -5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.898 9.433 -6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.548 9.502 -7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.811 8.004 -7.028 1.00 0.00 H new ATOM 819 N PHE A 57 7.968 3.639 -4.829 1.00 0.00 N ATOM 820 CA PHE A 57 9.207 2.833 -5.036 1.00 0.00 C ATOM 821 C PHE A 57 10.424 3.759 -5.146 1.00 0.00 C ATOM 822 O PHE A 57 11.499 3.434 -4.685 1.00 0.00 O ATOM 823 CB PHE A 57 9.067 2.023 -6.324 1.00 0.00 C ATOM 824 CG PHE A 57 9.379 0.553 -6.038 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.642 0.174 -5.615 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.405 -0.419 -6.195 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.924 -1.151 -5.357 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.690 -1.743 -5.935 1.00 0.00 C ATOM 829 CZ PHE A 57 9.949 -2.109 -5.518 1.00 0.00 C ATOM 0 H PHE A 57 7.305 3.631 -5.604 1.00 0.00 H new ATOM 0 HA PHE A 57 9.347 2.162 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.056 2.121 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.746 2.409 -7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.411 0.921 -5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.415 -0.138 -6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.912 -1.438 -5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.924 -2.494 -6.059 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.172 -3.147 -5.317 1.00 0.00 H new ATOM 839 N GLU A 58 10.223 4.894 -5.757 1.00 0.00 N ATOM 840 CA GLU A 58 11.355 5.857 -5.911 1.00 0.00 C ATOM 841 C GLU A 58 11.912 6.253 -4.538 1.00 0.00 C ATOM 842 O GLU A 58 13.045 6.678 -4.425 1.00 0.00 O ATOM 843 CB GLU A 58 10.850 7.105 -6.634 1.00 0.00 C ATOM 844 CG GLU A 58 11.793 7.426 -7.797 1.00 0.00 C ATOM 845 CD GLU A 58 11.643 6.359 -8.881 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.694 5.600 -8.768 1.00 0.00 O ATOM 847 OE2 GLU A 58 12.485 6.361 -9.762 1.00 0.00 O ATOM 0 H GLU A 58 9.333 5.196 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 58 12.151 5.385 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.838 6.941 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.804 7.947 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.563 8.410 -8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.824 7.460 -7.445 1.00 0.00 H new ATOM 854 N ASP A 59 11.102 6.108 -3.524 1.00 0.00 N ATOM 855 CA ASP A 59 11.570 6.475 -2.156 1.00 0.00 C ATOM 856 C ASP A 59 12.303 5.295 -1.511 1.00 0.00 C ATOM 857 O ASP A 59 12.482 5.252 -0.310 1.00 0.00 O ATOM 858 CB ASP A 59 10.363 6.854 -1.299 1.00 0.00 C ATOM 859 CG ASP A 59 9.900 8.265 -1.671 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.229 8.364 -2.686 1.00 0.00 O ATOM 861 OD2 ASP A 59 10.245 9.163 -0.921 1.00 0.00 O ATOM 0 H ASP A 59 10.147 5.755 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 59 12.256 7.319 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.554 6.141 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.626 6.812 -0.242 1.00 0.00 H new ATOM 866 N CYS A 60 12.711 4.362 -2.327 1.00 0.00 N ATOM 867 CA CYS A 60 13.434 3.176 -1.780 1.00 0.00 C ATOM 868 C CYS A 60 14.841 3.597 -1.293 1.00 0.00 C ATOM 869 O CYS A 60 15.369 4.596 -1.736 1.00 0.00 O ATOM 870 CB CYS A 60 13.568 2.134 -2.890 1.00 0.00 C ATOM 871 SG CYS A 60 12.320 0.829 -2.962 1.00 0.00 S ATOM 0 H CYS A 60 12.578 4.367 -3.338 1.00 0.00 H new ATOM 0 HA CYS A 60 12.880 2.760 -0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.563 2.658 -3.846 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.545 1.661 -2.791 1.00 0.00 H new ATOM 876 N PRO A 61 15.425 2.820 -0.384 1.00 0.00 N ATOM 877 CA PRO A 61 16.768 3.128 0.130 1.00 0.00 C ATOM 878 C PRO A 61 17.782 3.211 -1.019 1.00 0.00 C ATOM 879 O PRO A 61 17.414 3.156 -2.176 1.00 0.00 O ATOM 880 CB PRO A 61 17.119 1.965 1.066 1.00 0.00 C ATOM 881 CG PRO A 61 15.916 0.976 1.053 1.00 0.00 C ATOM 882 CD PRO A 61 14.812 1.605 0.185 1.00 0.00 C ATOM 0 HA PRO A 61 16.793 4.089 0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 61 18.029 1.466 0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.306 2.329 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.218 0.010 0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.554 0.799 2.066 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.488 0.921 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.931 1.848 0.780 1.00 0.00 H new ATOM 890 N LYS A 62 19.035 3.341 -0.670 1.00 0.00 N ATOM 891 CA LYS A 62 20.091 3.429 -1.726 1.00 0.00 C ATOM 892 C LYS A 62 20.823 2.088 -1.856 1.00 0.00 C ATOM 893 O LYS A 62 20.407 1.175 -1.161 1.00 0.00 O ATOM 894 CB LYS A 62 21.091 4.519 -1.343 1.00 0.00 C ATOM 895 CG LYS A 62 21.513 4.329 0.115 1.00 0.00 C ATOM 896 CD LYS A 62 22.825 5.079 0.358 1.00 0.00 C ATOM 897 CE LYS A 62 23.252 4.886 1.815 1.00 0.00 C ATOM 898 NZ LYS A 62 24.146 5.995 2.248 1.00 0.00 N ATOM 899 OXT LYS A 62 21.755 2.055 -2.642 1.00 0.00 O ATOM 0 H LYS A 62 19.373 3.390 0.291 1.00 0.00 H new ATOM 0 HA LYS A 62 19.624 3.670 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.963 4.473 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 62 20.643 5.503 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.737 4.703 0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.639 3.269 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.600 4.708 -0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 62 22.697 6.140 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.371 4.849 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 62 23.767 3.932 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 24.426 5.848 3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 24.995 6.012 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 23.643 6.901 2.161 1.00 0.00 H new TER 913 LYS A 62