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+ -168:sc= 0 (180deg=-0.115) USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= -1.01 (180deg=-2.97!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -1.52 (180deg=-2.55!) USER MOD Single : A 9 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -116:sc= 0.129 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= -0.828 (180deg=-1.79!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 52:sc= 0.843! USER MOD Single : A 51 GLN : amide:sc= -0.621 K(o=-0.62,f=0) USER MOD Single : A 53 ASN : amide:sc= -4.57! K(o=-4.6!,f=-1.5) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0.0104 (180deg=0.00989) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -18.108 8.945 -7.078 1.00 0.00 N ATOM 2 CA GLU A 1 -18.315 7.698 -6.284 1.00 0.00 C ATOM 3 C GLU A 1 -16.984 7.265 -5.664 1.00 0.00 C ATOM 4 O GLU A 1 -16.933 6.854 -4.520 1.00 0.00 O ATOM 5 CB GLU A 1 -18.846 6.575 -7.174 1.00 0.00 C ATOM 6 CG GLU A 1 -19.193 5.364 -6.306 1.00 0.00 C ATOM 7 CD GLU A 1 -20.696 5.091 -6.394 1.00 0.00 C ATOM 8 OE1 GLU A 1 -21.069 4.412 -7.338 1.00 0.00 O ATOM 9 OE2 GLU A 1 -21.388 5.577 -5.513 1.00 0.00 O ATOM 0 H1 GLU A 1 -19.031 9.353 -7.330 1.00 0.00 H new ATOM 0 H2 GLU A 1 -17.568 9.631 -6.513 1.00 0.00 H new ATOM 0 H3 GLU A 1 -17.580 8.721 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 1 -19.045 7.900 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -19.729 6.912 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -18.099 6.301 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -18.633 4.491 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -18.906 5.550 -5.271 1.00 0.00 H new ATOM 18 N ALA A 2 -15.932 7.363 -6.431 1.00 0.00 N ATOM 19 CA ALA A 2 -14.596 6.960 -5.901 1.00 0.00 C ATOM 20 C ALA A 2 -14.220 7.835 -4.700 1.00 0.00 C ATOM 21 O ALA A 2 -14.374 9.039 -4.733 1.00 0.00 O ATOM 22 CB ALA A 2 -13.550 7.127 -7.001 1.00 0.00 C ATOM 0 H ALA A 2 -15.938 7.701 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.635 5.919 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.572 6.834 -6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.812 6.497 -7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.519 8.169 -7.318 1.00 0.00 H new ATOM 28 N GLU A 3 -13.732 7.208 -3.665 1.00 0.00 N ATOM 29 CA GLU A 3 -13.343 7.989 -2.452 1.00 0.00 C ATOM 30 C GLU A 3 -11.869 8.398 -2.533 1.00 0.00 C ATOM 31 O GLU A 3 -11.017 7.593 -2.853 1.00 0.00 O ATOM 32 CB GLU A 3 -13.563 7.125 -1.211 1.00 0.00 C ATOM 33 CG GLU A 3 -15.002 6.612 -1.206 1.00 0.00 C ATOM 34 CD GLU A 3 -15.392 6.218 0.220 1.00 0.00 C ATOM 35 OE1 GLU A 3 -14.522 5.689 0.891 1.00 0.00 O ATOM 36 OE2 GLU A 3 -16.538 6.468 0.557 1.00 0.00 O ATOM 0 H GLU A 3 -13.586 6.200 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.955 8.889 -2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.865 6.287 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.368 7.706 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.676 7.382 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.097 5.754 -1.872 1.00 0.00 H new ATOM 43 N LYS A 4 -11.607 9.645 -2.240 1.00 0.00 N ATOM 44 CA LYS A 4 -10.195 10.139 -2.288 1.00 0.00 C ATOM 45 C LYS A 4 -9.648 10.314 -0.866 1.00 0.00 C ATOM 46 O LYS A 4 -10.339 10.789 0.012 1.00 0.00 O ATOM 47 CB LYS A 4 -10.166 11.483 -3.014 1.00 0.00 C ATOM 48 CG LYS A 4 -9.602 11.287 -4.426 1.00 0.00 C ATOM 49 CD LYS A 4 -9.560 12.639 -5.152 1.00 0.00 C ATOM 50 CE LYS A 4 -10.984 13.183 -5.316 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.355 14.030 -4.146 1.00 0.00 N ATOM 0 H LYS A 4 -12.303 10.340 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.575 9.415 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.171 11.902 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.553 12.194 -2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.601 10.859 -4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.221 10.583 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.953 13.347 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.090 12.524 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.053 13.768 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.687 12.356 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.209 13.644 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.573 14.036 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.542 15.002 -4.466 1.00 0.00 H new ATOM 65 N CYS A 5 -8.417 9.925 -0.671 1.00 0.00 N ATOM 66 CA CYS A 5 -7.810 10.068 0.686 1.00 0.00 C ATOM 67 C CYS A 5 -7.127 11.433 0.816 1.00 0.00 C ATOM 68 O CYS A 5 -7.293 12.293 -0.029 1.00 0.00 O ATOM 69 CB CYS A 5 -6.782 8.959 0.899 1.00 0.00 C ATOM 70 SG CYS A 5 -7.378 7.251 0.832 1.00 0.00 S ATOM 0 H CYS A 5 -7.810 9.519 -1.383 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.594 9.992 1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -6.001 9.074 0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.314 9.115 1.871 1.00 0.00 H new ATOM 75 N THR A 6 -6.369 11.600 1.871 1.00 0.00 N ATOM 76 CA THR A 6 -5.668 12.903 2.087 1.00 0.00 C ATOM 77 C THR A 6 -4.155 12.748 1.889 1.00 0.00 C ATOM 78 O THR A 6 -3.616 13.114 0.864 1.00 0.00 O ATOM 79 CB THR A 6 -5.945 13.373 3.514 1.00 0.00 C ATOM 80 OG1 THR A 6 -6.118 12.175 4.265 1.00 0.00 O ATOM 81 CG2 THR A 6 -7.276 14.112 3.618 1.00 0.00 C ATOM 0 H THR A 6 -6.206 10.894 2.589 1.00 0.00 H new ATOM 0 HA THR A 6 -6.036 13.631 1.364 1.00 0.00 H new ATOM 0 HB THR A 6 -5.142 14.030 3.849 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.300 12.399 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.436 14.430 4.648 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.259 14.986 2.967 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.085 13.449 3.313 1.00 0.00 H new ATOM 89 N LYS A 7 -3.503 12.209 2.883 1.00 0.00 N ATOM 90 CA LYS A 7 -2.020 12.035 2.790 1.00 0.00 C ATOM 91 C LYS A 7 -1.643 11.216 1.523 1.00 0.00 C ATOM 92 O LYS A 7 -2.421 10.400 1.069 1.00 0.00 O ATOM 93 CB LYS A 7 -1.547 11.289 4.039 1.00 0.00 C ATOM 94 CG LYS A 7 -1.570 12.248 5.232 1.00 0.00 C ATOM 95 CD LYS A 7 -2.066 11.497 6.476 1.00 0.00 C ATOM 96 CE LYS A 7 -1.145 10.304 6.762 1.00 0.00 C ATOM 97 NZ LYS A 7 0.260 10.618 6.377 1.00 0.00 N ATOM 0 H LYS A 7 -3.927 11.883 3.751 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.542 13.012 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.192 10.432 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.540 10.902 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.573 12.650 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.222 13.095 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.084 12.168 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.088 11.151 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.189 10.050 7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.492 9.430 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.910 9.993 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.381 10.472 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.471 11.609 6.613 1.00 0.00 H new ATOM 111 N PRO A 8 -0.443 11.449 0.972 1.00 0.00 N ATOM 112 CA PRO A 8 0.010 10.710 -0.223 1.00 0.00 C ATOM 113 C PRO A 8 0.083 9.204 0.063 1.00 0.00 C ATOM 114 O PRO A 8 -0.281 8.758 1.130 1.00 0.00 O ATOM 115 CB PRO A 8 1.410 11.253 -0.530 1.00 0.00 C ATOM 116 CG PRO A 8 1.776 12.262 0.598 1.00 0.00 C ATOM 117 CD PRO A 8 0.525 12.447 1.474 1.00 0.00 C ATOM 0 HA PRO A 8 -0.677 10.843 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.136 10.441 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.427 11.743 -1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.609 11.887 1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.091 13.215 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.752 12.282 2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.129 13.459 1.388 1.00 0.00 H new ATOM 125 N ASN A 9 0.564 8.458 -0.902 1.00 0.00 N ATOM 126 CA ASN A 9 0.673 6.977 -0.712 1.00 0.00 C ATOM 127 C ASN A 9 -0.662 6.410 -0.216 1.00 0.00 C ATOM 128 O ASN A 9 -1.468 5.956 -1.003 1.00 0.00 O ATOM 129 CB ASN A 9 1.782 6.681 0.300 1.00 0.00 C ATOM 130 CG ASN A 9 3.105 7.271 -0.210 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.874 6.617 -0.897 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.408 8.501 0.101 1.00 0.00 N ATOM 0 H ASN A 9 0.883 8.807 -1.806 1.00 0.00 H new ATOM 0 HA ASN A 9 0.916 6.505 -1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.529 7.110 1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.882 5.605 0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.282 8.910 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.771 9.054 0.674 1.00 0.00 H new ATOM 139 N GLU A 10 -0.868 6.439 1.075 1.00 0.00 N ATOM 140 CA GLU A 10 -2.157 5.919 1.614 1.00 0.00 C ATOM 141 C GLU A 10 -3.309 6.457 0.763 1.00 0.00 C ATOM 142 O GLU A 10 -3.737 7.583 0.934 1.00 0.00 O ATOM 143 CB GLU A 10 -2.324 6.387 3.058 1.00 0.00 C ATOM 144 CG GLU A 10 -1.007 6.175 3.806 1.00 0.00 C ATOM 145 CD GLU A 10 -1.271 6.206 5.312 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.135 5.448 5.724 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.595 6.981 5.965 1.00 0.00 O ATOM 0 H GLU A 10 -0.210 6.794 1.769 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.160 4.829 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.605 7.440 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.126 5.831 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.564 5.220 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.292 6.952 3.534 1.00 0.00 H new ATOM 154 N GLN A 11 -3.783 5.635 -0.136 1.00 0.00 N ATOM 155 CA GLN A 11 -4.893 6.069 -1.035 1.00 0.00 C ATOM 156 C GLN A 11 -6.057 5.095 -0.933 1.00 0.00 C ATOM 157 O GLN A 11 -5.926 4.023 -0.382 1.00 0.00 O ATOM 158 CB GLN A 11 -4.387 6.082 -2.474 1.00 0.00 C ATOM 159 CG GLN A 11 -5.083 7.209 -3.239 1.00 0.00 C ATOM 160 CD GLN A 11 -4.697 7.132 -4.718 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.294 6.410 -5.491 1.00 0.00 O ATOM 162 NE2 GLN A 11 -3.704 7.861 -5.152 1.00 0.00 N ATOM 0 H GLN A 11 -3.450 4.683 -0.287 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.227 7.064 -0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.307 6.227 -2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.588 5.123 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.164 7.125 -3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.795 8.176 -2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.198 8.469 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.434 7.822 -6.135 1.00 0.00 H new ATOM 171 N TRP A 12 -7.172 5.483 -1.471 1.00 0.00 N ATOM 172 CA TRP A 12 -8.343 4.580 -1.412 1.00 0.00 C ATOM 173 C TRP A 12 -8.057 3.301 -2.175 1.00 0.00 C ATOM 174 O TRP A 12 -7.535 3.332 -3.272 1.00 0.00 O ATOM 175 CB TRP A 12 -9.545 5.248 -2.047 1.00 0.00 C ATOM 176 CG TRP A 12 -10.692 4.232 -2.104 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.013 3.510 -3.179 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.509 3.976 -1.111 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.086 2.803 -2.771 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.465 3.048 -1.475 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.499 4.487 0.169 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.414 2.644 -0.567 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.446 4.080 1.082 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.406 3.157 0.714 1.00 0.00 C ATOM 0 H TRP A 12 -7.322 6.375 -1.943 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.546 4.354 -0.365 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.842 6.123 -1.468 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.298 5.598 -3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.529 3.495 -4.145 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.575 2.142 -3.375 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.747 5.208 0.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.166 1.925 -0.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.438 4.482 2.084 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.150 2.837 1.429 1.00 0.00 H new ATOM 195 N THR A 13 -8.402 2.203 -1.582 1.00 0.00 N ATOM 196 CA THR A 13 -8.186 0.915 -2.273 1.00 0.00 C ATOM 197 C THR A 13 -9.315 -0.047 -1.912 1.00 0.00 C ATOM 198 O THR A 13 -9.499 -0.394 -0.759 1.00 0.00 O ATOM 199 CB THR A 13 -6.834 0.327 -1.861 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.647 -0.796 -2.718 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.877 -0.246 -0.451 1.00 0.00 C ATOM 0 H THR A 13 -8.822 2.141 -0.654 1.00 0.00 H new ATOM 0 HA THR A 13 -8.183 1.073 -3.351 1.00 0.00 H new ATOM 0 HB THR A 13 -6.064 1.097 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.628 -1.617 -2.182 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.899 -0.654 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.138 0.543 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.625 -1.038 -0.403 1.00 0.00 H new ATOM 209 N LYS A 14 -10.059 -0.446 -2.903 1.00 0.00 N ATOM 210 CA LYS A 14 -11.190 -1.371 -2.638 1.00 0.00 C ATOM 211 C LYS A 14 -10.675 -2.694 -2.056 1.00 0.00 C ATOM 212 O LYS A 14 -11.437 -3.476 -1.523 1.00 0.00 O ATOM 213 CB LYS A 14 -11.940 -1.631 -3.939 1.00 0.00 C ATOM 214 CG LYS A 14 -13.313 -0.956 -3.857 1.00 0.00 C ATOM 215 CD LYS A 14 -14.016 -1.061 -5.209 1.00 0.00 C ATOM 216 CE LYS A 14 -15.330 -1.823 -5.033 1.00 0.00 C ATOM 217 NZ LYS A 14 -16.067 -1.893 -6.327 1.00 0.00 N ATOM 0 H LYS A 14 -9.934 -0.174 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.863 -0.915 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.376 -1.239 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.055 -2.703 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.917 -1.430 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.199 0.091 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.209 -0.066 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.376 -1.575 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.128 -2.830 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.947 -1.329 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.957 -2.413 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.276 -0.930 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.483 -2.384 -7.033 1.00 0.00 H new ATOM 231 N CYS A 15 -9.390 -2.915 -2.173 1.00 0.00 N ATOM 232 CA CYS A 15 -8.806 -4.176 -1.625 1.00 0.00 C ATOM 233 C CYS A 15 -7.450 -3.900 -0.965 1.00 0.00 C ATOM 234 O CYS A 15 -6.449 -3.750 -1.638 1.00 0.00 O ATOM 235 CB CYS A 15 -8.608 -5.177 -2.759 1.00 0.00 C ATOM 236 SG CYS A 15 -7.213 -6.324 -2.608 1.00 0.00 S ATOM 0 H CYS A 15 -8.726 -2.283 -2.620 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.490 -4.580 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.521 -5.765 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.489 -4.618 -3.687 1.00 0.00 H new ATOM 241 N GLY A 16 -7.447 -3.837 0.338 1.00 0.00 N ATOM 242 CA GLY A 16 -6.165 -3.586 1.055 1.00 0.00 C ATOM 243 C GLY A 16 -5.544 -4.917 1.486 1.00 0.00 C ATOM 244 O GLY A 16 -5.582 -5.885 0.752 1.00 0.00 O ATOM 0 H GLY A 16 -8.268 -3.947 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.475 -3.045 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.343 -2.957 1.928 1.00 0.00 H new ATOM 248 N GLY A 17 -4.986 -4.938 2.666 1.00 0.00 N ATOM 249 CA GLY A 17 -4.371 -6.204 3.163 1.00 0.00 C ATOM 250 C GLY A 17 -2.859 -6.208 2.933 1.00 0.00 C ATOM 251 O GLY A 17 -2.164 -5.294 3.332 1.00 0.00 O ATOM 0 H GLY A 17 -4.929 -4.143 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.581 -6.321 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.822 -7.056 2.654 1.00 0.00 H new ATOM 255 N CYS A 18 -2.383 -7.238 2.289 1.00 0.00 N ATOM 256 CA CYS A 18 -0.916 -7.334 2.034 1.00 0.00 C ATOM 257 C CYS A 18 -0.535 -6.565 0.764 1.00 0.00 C ATOM 258 O CYS A 18 -1.344 -6.384 -0.125 1.00 0.00 O ATOM 259 CB CYS A 18 -0.535 -8.801 1.863 1.00 0.00 C ATOM 260 SG CYS A 18 -0.752 -9.892 3.289 1.00 0.00 S ATOM 0 H CYS A 18 -2.941 -8.013 1.930 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.383 -6.899 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.120 -9.206 1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.512 -8.844 1.563 1.00 0.00 H new ATOM 265 N GLU A 19 0.699 -6.133 0.713 1.00 0.00 N ATOM 266 CA GLU A 19 1.176 -5.377 -0.485 1.00 0.00 C ATOM 267 C GLU A 19 2.571 -5.871 -0.887 1.00 0.00 C ATOM 268 O GLU A 19 2.979 -6.952 -0.511 1.00 0.00 O ATOM 269 CB GLU A 19 1.242 -3.881 -0.141 1.00 0.00 C ATOM 270 CG GLU A 19 -0.176 -3.326 0.048 1.00 0.00 C ATOM 271 CD GLU A 19 -0.370 -2.908 1.508 1.00 0.00 C ATOM 272 OE1 GLU A 19 0.510 -2.218 1.995 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.387 -3.305 2.052 1.00 0.00 O ATOM 0 H GLU A 19 1.395 -6.270 1.446 1.00 0.00 H new ATOM 0 HA GLU A 19 0.487 -5.535 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.824 -3.733 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.751 -3.338 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.334 -2.472 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.913 -4.081 -0.226 1.00 0.00 H new ATOM 280 N GLY A 20 3.270 -5.071 -1.644 1.00 0.00 N ATOM 281 CA GLY A 20 4.634 -5.478 -2.078 1.00 0.00 C ATOM 282 C GLY A 20 5.697 -4.822 -1.204 1.00 0.00 C ATOM 283 O GLY A 20 5.391 -4.140 -0.246 1.00 0.00 O ATOM 0 H GLY A 20 2.958 -4.159 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.730 -6.562 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.788 -5.197 -3.120 1.00 0.00 H new ATOM 287 N THR A 21 6.930 -5.046 -1.558 1.00 0.00 N ATOM 288 CA THR A 21 8.046 -4.446 -0.778 1.00 0.00 C ATOM 289 C THR A 21 9.132 -3.968 -1.743 1.00 0.00 C ATOM 290 O THR A 21 8.974 -4.055 -2.943 1.00 0.00 O ATOM 291 CB THR A 21 8.628 -5.500 0.167 1.00 0.00 C ATOM 292 OG1 THR A 21 8.611 -6.709 -0.583 1.00 0.00 O ATOM 293 CG2 THR A 21 7.706 -5.753 1.358 1.00 0.00 C ATOM 0 H THR A 21 7.213 -5.618 -2.353 1.00 0.00 H new ATOM 0 HA THR A 21 7.677 -3.602 -0.195 1.00 0.00 H new ATOM 0 HB THR A 21 9.606 -5.179 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.975 -7.437 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.150 -6.507 2.008 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.570 -4.827 1.916 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.739 -6.107 1.001 1.00 0.00 H new ATOM 301 N CYS A 22 10.210 -3.474 -1.209 1.00 0.00 N ATOM 302 CA CYS A 22 11.295 -2.997 -2.105 1.00 0.00 C ATOM 303 C CYS A 22 12.037 -4.204 -2.687 1.00 0.00 C ATOM 304 O CYS A 22 13.074 -4.064 -3.306 1.00 0.00 O ATOM 305 CB CYS A 22 12.267 -2.126 -1.310 1.00 0.00 C ATOM 306 SG CYS A 22 13.546 -1.256 -2.239 1.00 0.00 S ATOM 0 H CYS A 22 10.386 -3.380 -0.209 1.00 0.00 H new ATOM 0 HA CYS A 22 10.869 -2.408 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.685 -1.385 -0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.758 -2.758 -0.570 1.00 0.00 H new ATOM 311 N ALA A 23 11.479 -5.367 -2.470 1.00 0.00 N ATOM 312 CA ALA A 23 12.125 -6.609 -2.994 1.00 0.00 C ATOM 313 C ALA A 23 11.066 -7.591 -3.532 1.00 0.00 C ATOM 314 O ALA A 23 11.401 -8.587 -4.146 1.00 0.00 O ATOM 315 CB ALA A 23 12.900 -7.272 -1.859 1.00 0.00 C ATOM 0 H ALA A 23 10.610 -5.511 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 23 12.796 -6.345 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.377 -8.180 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.662 -6.586 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.215 -7.524 -1.049 1.00 0.00 H new ATOM 321 N GLN A 24 9.814 -7.292 -3.296 1.00 0.00 N ATOM 322 CA GLN A 24 8.735 -8.201 -3.786 1.00 0.00 C ATOM 323 C GLN A 24 7.488 -7.388 -4.146 1.00 0.00 C ATOM 324 O GLN A 24 6.614 -7.186 -3.325 1.00 0.00 O ATOM 325 CB GLN A 24 8.386 -9.211 -2.690 1.00 0.00 C ATOM 326 CG GLN A 24 9.278 -10.447 -2.841 1.00 0.00 C ATOM 327 CD GLN A 24 8.952 -11.444 -1.727 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.526 -11.405 -0.657 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.041 -12.353 -1.938 1.00 0.00 N ATOM 0 H GLN A 24 9.494 -6.466 -2.790 1.00 0.00 H new ATOM 0 HA GLN A 24 9.086 -8.727 -4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.529 -8.763 -1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.336 -9.495 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.119 -10.908 -3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.328 -10.160 -2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.556 -12.390 -2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.814 -13.027 -1.207 1.00 0.00 H new ATOM 338 N LYS A 25 7.433 -6.942 -5.368 1.00 0.00 N ATOM 339 CA LYS A 25 6.258 -6.131 -5.809 1.00 0.00 C ATOM 340 C LYS A 25 4.951 -6.776 -5.311 1.00 0.00 C ATOM 341 O LYS A 25 3.984 -6.092 -5.056 1.00 0.00 O ATOM 342 CB LYS A 25 6.259 -6.058 -7.340 1.00 0.00 C ATOM 343 CG LYS A 25 5.655 -4.720 -7.803 1.00 0.00 C ATOM 344 CD LYS A 25 4.176 -4.646 -7.396 1.00 0.00 C ATOM 345 CE LYS A 25 3.402 -3.833 -8.441 1.00 0.00 C ATOM 346 NZ LYS A 25 3.903 -2.430 -8.489 1.00 0.00 N ATOM 0 H LYS A 25 8.145 -7.101 -6.080 1.00 0.00 H new ATOM 0 HA LYS A 25 6.326 -5.127 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.277 -6.157 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.685 -6.888 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.205 -3.890 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.749 -4.623 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.758 -5.650 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.080 -4.183 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.508 -4.297 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.339 -3.837 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.120 -1.775 -8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.649 -2.303 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.291 -2.232 -9.434 1.00 0.00 H new ATOM 360 N ILE A 26 4.957 -8.082 -5.189 1.00 0.00 N ATOM 361 CA ILE A 26 3.729 -8.790 -4.692 1.00 0.00 C ATOM 362 C ILE A 26 4.125 -9.830 -3.637 1.00 0.00 C ATOM 363 O ILE A 26 4.815 -10.786 -3.937 1.00 0.00 O ATOM 364 CB ILE A 26 3.036 -9.507 -5.858 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.570 -8.487 -6.924 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.832 -10.296 -5.330 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.518 -7.508 -6.350 1.00 0.00 C ATOM 0 H ILE A 26 5.749 -8.685 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 26 3.051 -8.057 -4.254 1.00 0.00 H new ATOM 0 HB ILE A 26 3.746 -10.191 -6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.429 -7.925 -7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.147 -9.018 -7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.339 -10.806 -6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.171 -11.032 -4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.129 -9.612 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.213 -6.806 -7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.649 -8.069 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.950 -6.959 -5.513 1.00 0.00 H new ATOM 379 N VAL A 27 3.683 -9.629 -2.424 1.00 0.00 N ATOM 380 CA VAL A 27 4.032 -10.606 -1.350 1.00 0.00 C ATOM 381 C VAL A 27 2.895 -11.666 -1.209 1.00 0.00 C ATOM 382 O VAL A 27 1.735 -11.304 -1.167 1.00 0.00 O ATOM 383 CB VAL A 27 4.178 -9.844 -0.031 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.792 -9.465 0.488 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.874 -10.736 0.997 1.00 0.00 C ATOM 0 H VAL A 27 3.103 -8.842 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 27 4.963 -11.114 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 27 4.770 -8.943 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.891 -8.922 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.289 -8.834 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.205 -10.369 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.979 -10.194 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.280 -11.635 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.861 -11.016 0.628 1.00 0.00 H new ATOM 395 N PRO A 28 3.236 -12.963 -1.139 1.00 0.00 N ATOM 396 CA PRO A 28 2.206 -14.006 -0.996 1.00 0.00 C ATOM 397 C PRO A 28 1.413 -13.812 0.303 1.00 0.00 C ATOM 398 O PRO A 28 1.958 -13.407 1.312 1.00 0.00 O ATOM 399 CB PRO A 28 2.969 -15.334 -0.954 1.00 0.00 C ATOM 400 CG PRO A 28 4.488 -14.999 -1.011 1.00 0.00 C ATOM 401 CD PRO A 28 4.621 -13.479 -1.202 1.00 0.00 C ATOM 0 HA PRO A 28 1.488 -13.972 -1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.731 -15.885 -0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.684 -15.968 -1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.985 -15.315 -0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.967 -15.532 -1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.243 -13.036 -0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.088 -13.241 -2.158 1.00 0.00 H new ATOM 409 N CYS A 29 0.144 -14.107 0.249 1.00 0.00 N ATOM 410 CA CYS A 29 -0.697 -13.953 1.472 1.00 0.00 C ATOM 411 C CYS A 29 -2.028 -14.687 1.293 1.00 0.00 C ATOM 412 O CYS A 29 -2.865 -14.279 0.513 1.00 0.00 O ATOM 413 CB CYS A 29 -0.959 -12.470 1.720 1.00 0.00 C ATOM 414 SG CYS A 29 0.221 -11.582 2.768 1.00 0.00 S ATOM 0 H CYS A 29 -0.345 -14.445 -0.580 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.171 -14.381 2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.996 -11.968 0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.948 -12.372 2.168 1.00 0.00 H new ATOM 419 N THR A 30 -2.195 -15.755 2.022 1.00 0.00 N ATOM 420 CA THR A 30 -3.464 -16.530 1.908 1.00 0.00 C ATOM 421 C THR A 30 -4.669 -15.602 2.082 1.00 0.00 C ATOM 422 O THR A 30 -5.789 -15.972 1.790 1.00 0.00 O ATOM 423 CB THR A 30 -3.486 -17.611 2.990 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.549 -16.895 4.220 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.169 -18.383 3.038 1.00 0.00 C ATOM 0 H THR A 30 -1.515 -16.123 2.687 1.00 0.00 H new ATOM 0 HA THR A 30 -3.518 -16.991 0.922 1.00 0.00 H new ATOM 0 HB THR A 30 -4.306 -18.305 2.805 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.568 -17.529 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.221 -19.143 3.818 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.993 -18.863 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.352 -17.695 3.255 1.00 0.00 H new ATOM 433 N ARG A 31 -4.416 -14.411 2.554 1.00 0.00 N ATOM 434 CA ARG A 31 -5.538 -13.446 2.750 1.00 0.00 C ATOM 435 C ARG A 31 -6.140 -13.061 1.395 1.00 0.00 C ATOM 436 O ARG A 31 -5.527 -13.257 0.363 1.00 0.00 O ATOM 437 CB ARG A 31 -5.005 -12.196 3.450 1.00 0.00 C ATOM 438 CG ARG A 31 -4.353 -12.602 4.774 1.00 0.00 C ATOM 439 CD ARG A 31 -4.913 -11.728 5.899 1.00 0.00 C ATOM 440 NE ARG A 31 -4.247 -12.101 7.180 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.517 -11.424 8.263 1.00 0.00 C ATOM 442 NH1 ARG A 31 -5.765 -11.233 8.594 1.00 0.00 N ATOM 443 NH2 ARG A 31 -3.529 -10.960 8.980 1.00 0.00 N ATOM 0 H ARG A 31 -3.491 -14.066 2.810 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.313 -13.909 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.280 -11.689 2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.817 -11.492 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.549 -13.654 4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.271 -12.486 4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.742 -10.674 5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.991 -11.865 5.981 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.587 -12.878 7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.511 -11.610 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.994 -10.706 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.566 -11.129 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.721 -10.429 9.829 1.00 0.00 H new ATOM 457 N GLU A 32 -7.328 -12.517 1.426 1.00 0.00 N ATOM 458 CA GLU A 32 -7.989 -12.118 0.147 1.00 0.00 C ATOM 459 C GLU A 32 -7.812 -10.616 -0.099 1.00 0.00 C ATOM 460 O GLU A 32 -7.049 -10.210 -0.953 1.00 0.00 O ATOM 461 CB GLU A 32 -9.479 -12.447 0.232 1.00 0.00 C ATOM 462 CG GLU A 32 -9.686 -13.929 -0.089 1.00 0.00 C ATOM 463 CD GLU A 32 -10.973 -14.415 0.579 1.00 0.00 C ATOM 464 OE1 GLU A 32 -10.976 -14.439 1.799 1.00 0.00 O ATOM 465 OE2 GLU A 32 -11.883 -14.737 -0.169 1.00 0.00 O ATOM 0 H GLU A 32 -7.866 -12.333 2.273 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.531 -12.665 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.857 -12.222 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.041 -11.829 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.745 -14.075 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.836 -14.512 0.265 1.00 0.00 H new ATOM 472 N CYS A 33 -8.522 -9.827 0.657 1.00 0.00 N ATOM 473 CA CYS A 33 -8.416 -8.349 0.478 1.00 0.00 C ATOM 474 C CYS A 33 -9.151 -7.626 1.614 1.00 0.00 C ATOM 475 O CYS A 33 -10.337 -7.808 1.796 1.00 0.00 O ATOM 476 CB CYS A 33 -9.061 -7.961 -0.853 1.00 0.00 C ATOM 477 SG CYS A 33 -8.070 -8.137 -2.357 1.00 0.00 S ATOM 0 H CYS A 33 -9.166 -10.136 1.385 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.364 -8.062 0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.963 -8.561 -0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.377 -6.920 -0.781 1.00 0.00 H new ATOM 482 N LYS A 34 -8.436 -6.821 2.355 1.00 0.00 N ATOM 483 CA LYS A 34 -9.104 -6.081 3.464 1.00 0.00 C ATOM 484 C LYS A 34 -10.272 -5.256 2.880 1.00 0.00 C ATOM 485 O LYS A 34 -10.279 -4.955 1.704 1.00 0.00 O ATOM 486 CB LYS A 34 -8.088 -5.144 4.120 1.00 0.00 C ATOM 487 CG LYS A 34 -7.551 -5.788 5.400 1.00 0.00 C ATOM 488 CD LYS A 34 -6.555 -4.830 6.058 1.00 0.00 C ATOM 489 CE LYS A 34 -6.020 -5.464 7.342 1.00 0.00 C ATOM 490 NZ LYS A 34 -4.531 -5.443 7.350 1.00 0.00 N ATOM 0 H LYS A 34 -7.437 -6.646 2.244 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.486 -6.780 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.268 -4.940 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.556 -4.187 4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.371 -6.007 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.066 -6.736 5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.733 -4.615 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.040 -3.880 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.402 -4.924 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.376 -6.491 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.182 -5.877 8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.172 -5.978 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.197 -4.460 7.294 1.00 0.00 H new ATOM 504 N PRO A 35 -11.244 -4.903 3.708 1.00 0.00 N ATOM 505 CA PRO A 35 -12.387 -4.116 3.231 1.00 0.00 C ATOM 506 C PRO A 35 -11.903 -2.788 2.603 1.00 0.00 C ATOM 507 O PRO A 35 -10.773 -2.386 2.798 1.00 0.00 O ATOM 508 CB PRO A 35 -13.238 -3.841 4.477 1.00 0.00 C ATOM 509 CG PRO A 35 -12.515 -4.504 5.689 1.00 0.00 C ATOM 510 CD PRO A 35 -11.278 -5.241 5.143 1.00 0.00 C ATOM 0 HA PRO A 35 -12.952 -4.643 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.350 -2.769 4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.240 -4.252 4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.221 -3.750 6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.181 -5.199 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.368 -4.916 5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.359 -6.317 5.295 1.00 0.00 H new ATOM 518 N PRO A 36 -12.779 -2.135 1.857 1.00 0.00 N ATOM 519 CA PRO A 36 -12.443 -0.853 1.216 1.00 0.00 C ATOM 520 C PRO A 36 -12.003 0.181 2.259 1.00 0.00 C ATOM 521 O PRO A 36 -12.716 0.441 3.209 1.00 0.00 O ATOM 522 CB PRO A 36 -13.739 -0.393 0.543 1.00 0.00 C ATOM 523 CG PRO A 36 -14.818 -1.481 0.805 1.00 0.00 C ATOM 524 CD PRO A 36 -14.148 -2.612 1.602 1.00 0.00 C ATOM 0 HA PRO A 36 -11.620 -0.962 0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.059 0.568 0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.586 -0.255 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.656 -1.063 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.218 -1.859 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.679 -2.807 2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.143 -3.544 1.037 1.00 0.00 H new ATOM 532 N ARG A 37 -10.846 0.758 2.055 1.00 0.00 N ATOM 533 CA ARG A 37 -10.358 1.779 3.036 1.00 0.00 C ATOM 534 C ARG A 37 -9.064 2.434 2.535 1.00 0.00 C ATOM 535 O ARG A 37 -8.417 1.933 1.642 1.00 0.00 O ATOM 536 CB ARG A 37 -10.082 1.092 4.378 1.00 0.00 C ATOM 537 CG ARG A 37 -9.521 2.119 5.363 1.00 0.00 C ATOM 538 CD ARG A 37 -9.773 1.632 6.792 1.00 0.00 C ATOM 539 NE ARG A 37 -9.005 2.489 7.739 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.641 3.687 7.367 1.00 0.00 C ATOM 541 NH1 ARG A 37 -9.527 4.645 7.367 1.00 0.00 N ATOM 542 NH2 ARG A 37 -7.402 3.886 7.010 1.00 0.00 N ATOM 0 H ARG A 37 -10.226 0.572 1.267 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.121 2.548 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.000 0.656 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.373 0.275 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.453 2.256 5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.995 3.088 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.837 1.676 7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.468 0.591 6.894 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.766 2.143 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.486 4.452 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.260 5.587 7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.737 3.113 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.099 4.815 6.716 1.00 0.00 H new ATOM 556 N CYS A 38 -8.728 3.556 3.114 1.00 0.00 N ATOM 557 CA CYS A 38 -7.467 4.249 2.703 1.00 0.00 C ATOM 558 C CYS A 38 -6.253 3.413 3.124 1.00 0.00 C ATOM 559 O CYS A 38 -6.140 3.016 4.267 1.00 0.00 O ATOM 560 CB CYS A 38 -7.404 5.617 3.382 1.00 0.00 C ATOM 561 SG CYS A 38 -8.311 6.977 2.604 1.00 0.00 S ATOM 0 H CYS A 38 -9.264 4.021 3.847 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.457 4.373 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.775 5.505 4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.356 5.909 3.454 1.00 0.00 H new ATOM 566 N GLU A 39 -5.365 3.160 2.192 1.00 0.00 N ATOM 567 CA GLU A 39 -4.160 2.340 2.538 1.00 0.00 C ATOM 568 C GLU A 39 -3.163 2.322 1.373 1.00 0.00 C ATOM 569 O GLU A 39 -3.330 3.025 0.397 1.00 0.00 O ATOM 570 CB GLU A 39 -4.598 0.906 2.848 1.00 0.00 C ATOM 571 CG GLU A 39 -3.806 0.387 4.049 1.00 0.00 C ATOM 572 CD GLU A 39 -3.914 -1.139 4.104 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.846 -1.638 3.496 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.057 -1.718 4.751 1.00 0.00 O ATOM 0 H GLU A 39 -5.419 3.479 1.225 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.674 2.782 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.666 0.878 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.429 0.266 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.761 0.687 3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.192 0.824 4.970 1.00 0.00 H new ATOM 581 N CYS A 40 -2.145 1.512 1.504 1.00 0.00 N ATOM 582 CA CYS A 40 -1.122 1.428 0.418 1.00 0.00 C ATOM 583 C CYS A 40 -1.729 0.793 -0.838 1.00 0.00 C ATOM 584 O CYS A 40 -2.795 0.213 -0.789 1.00 0.00 O ATOM 585 CB CYS A 40 0.049 0.572 0.903 1.00 0.00 C ATOM 586 SG CYS A 40 1.708 1.038 0.352 1.00 0.00 S ATOM 0 H CYS A 40 -1.978 0.909 2.309 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.777 2.432 0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.042 0.579 1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.133 -0.456 0.590 1.00 0.00 H new ATOM 591 N ILE A 41 -1.031 0.920 -1.939 1.00 0.00 N ATOM 592 CA ILE A 41 -1.544 0.337 -3.219 1.00 0.00 C ATOM 593 C ILE A 41 -0.404 -0.363 -3.977 1.00 0.00 C ATOM 594 O ILE A 41 0.448 0.282 -4.551 1.00 0.00 O ATOM 595 CB ILE A 41 -2.113 1.463 -4.087 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.138 2.270 -3.278 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.802 0.859 -5.312 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.450 3.499 -2.673 1.00 0.00 C ATOM 0 H ILE A 41 -0.133 1.399 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.321 -0.394 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.303 2.119 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.963 2.580 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.564 1.651 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.208 1.658 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.078 0.284 -5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.611 0.204 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.175 4.075 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.640 3.177 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.045 4.120 -3.472 1.00 0.00 H new ATOM 610 N ALA A 42 -0.418 -1.669 -3.964 1.00 0.00 N ATOM 611 CA ALA A 42 0.662 -2.421 -4.677 1.00 0.00 C ATOM 612 C ALA A 42 0.459 -2.342 -6.196 1.00 0.00 C ATOM 613 O ALA A 42 1.387 -2.096 -6.937 1.00 0.00 O ATOM 614 CB ALA A 42 0.631 -3.888 -4.238 1.00 0.00 C ATOM 0 H ALA A 42 -1.120 -2.244 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 42 1.625 -1.976 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.416 -4.439 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.793 -3.949 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.339 -4.321 -4.484 1.00 0.00 H new ATOM 620 N SER A 43 -0.757 -2.541 -6.620 1.00 0.00 N ATOM 621 CA SER A 43 -1.045 -2.502 -8.086 1.00 0.00 C ATOM 622 C SER A 43 -0.572 -1.181 -8.699 1.00 0.00 C ATOM 623 O SER A 43 -0.609 -1.010 -9.903 1.00 0.00 O ATOM 624 CB SER A 43 -2.551 -2.650 -8.299 1.00 0.00 C ATOM 625 OG SER A 43 -2.876 -1.611 -9.211 1.00 0.00 O ATOM 0 H SER A 43 -1.562 -2.728 -6.022 1.00 0.00 H new ATOM 0 HA SER A 43 -0.511 -3.318 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.802 -3.630 -8.705 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.098 -2.544 -7.362 1.00 0.00 H new ATOM 0 HG SER A 43 -2.281 -1.660 -9.988 1.00 0.00 H new ATOM 631 N ALA A 44 -0.136 -0.276 -7.863 1.00 0.00 N ATOM 632 CA ALA A 44 0.341 1.044 -8.388 1.00 0.00 C ATOM 633 C ALA A 44 1.870 1.102 -8.386 1.00 0.00 C ATOM 634 O ALA A 44 2.476 1.545 -9.341 1.00 0.00 O ATOM 635 CB ALA A 44 -0.206 2.157 -7.504 1.00 0.00 C ATOM 0 H ALA A 44 -0.088 -0.388 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.012 1.167 -9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.137 3.121 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.296 2.129 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.149 2.018 -6.483 1.00 0.00 H new ATOM 641 N GLY A 45 2.459 0.648 -7.310 1.00 0.00 N ATOM 642 CA GLY A 45 3.952 0.667 -7.220 1.00 0.00 C ATOM 643 C GLY A 45 4.407 1.173 -5.845 1.00 0.00 C ATOM 644 O GLY A 45 5.501 1.686 -5.705 1.00 0.00 O ATOM 0 H GLY A 45 1.977 0.268 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.344 -0.335 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.360 1.308 -8.002 1.00 0.00 H new ATOM 648 N PHE A 46 3.560 1.021 -4.862 1.00 0.00 N ATOM 649 CA PHE A 46 3.939 1.477 -3.491 1.00 0.00 C ATOM 650 C PHE A 46 4.470 0.289 -2.681 1.00 0.00 C ATOM 651 O PHE A 46 3.981 -0.817 -2.815 1.00 0.00 O ATOM 652 CB PHE A 46 2.709 2.059 -2.791 1.00 0.00 C ATOM 653 CG PHE A 46 2.342 3.403 -3.429 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.900 4.583 -2.960 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.445 3.458 -4.479 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.561 5.791 -3.538 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.111 4.667 -5.054 1.00 0.00 C ATOM 658 CZ PHE A 46 1.668 5.830 -4.583 1.00 0.00 C ATOM 0 H PHE A 46 2.632 0.606 -4.946 1.00 0.00 H new ATOM 0 HA PHE A 46 4.714 2.240 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.871 1.366 -2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.912 2.193 -1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.602 4.557 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.002 2.547 -4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.998 6.707 -3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.411 4.698 -5.876 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.405 6.776 -5.033 1.00 0.00 H new ATOM 668 N VAL A 47 5.459 0.543 -1.859 1.00 0.00 N ATOM 669 CA VAL A 47 6.044 -0.563 -1.029 1.00 0.00 C ATOM 670 C VAL A 47 6.027 -0.186 0.452 1.00 0.00 C ATOM 671 O VAL A 47 5.916 0.972 0.800 1.00 0.00 O ATOM 672 CB VAL A 47 7.487 -0.817 -1.468 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.480 -1.640 -2.756 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.189 0.516 -1.724 1.00 0.00 C ATOM 0 H VAL A 47 5.886 1.460 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 47 5.446 -1.463 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 47 8.017 -1.359 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.506 -1.825 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.978 -2.591 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.951 -1.092 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.217 0.332 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.663 1.059 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.189 1.109 -0.809 1.00 0.00 H new ATOM 684 N ARG A 48 6.142 -1.177 1.295 1.00 0.00 N ATOM 685 CA ARG A 48 6.135 -0.898 2.759 1.00 0.00 C ATOM 686 C ARG A 48 7.571 -0.816 3.290 1.00 0.00 C ATOM 687 O ARG A 48 8.363 -1.714 3.084 1.00 0.00 O ATOM 688 CB ARG A 48 5.390 -2.021 3.482 1.00 0.00 C ATOM 689 CG ARG A 48 4.275 -2.550 2.575 1.00 0.00 C ATOM 690 CD ARG A 48 3.403 -3.527 3.369 1.00 0.00 C ATOM 691 NE ARG A 48 3.307 -4.811 2.619 1.00 0.00 N ATOM 692 CZ ARG A 48 3.980 -5.849 3.036 1.00 0.00 C ATOM 693 NH1 ARG A 48 3.962 -6.143 4.307 1.00 0.00 N ATOM 694 NH2 ARG A 48 4.646 -6.558 2.167 1.00 0.00 N ATOM 0 H ARG A 48 6.240 -2.159 1.036 1.00 0.00 H new ATOM 0 HA ARG A 48 5.637 0.055 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.080 -2.825 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.970 -1.652 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.670 -1.724 2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.703 -3.049 1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.833 -3.699 4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.410 -3.106 3.523 1.00 0.00 H new ATOM 0 HE ARG A 48 2.721 -4.878 1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.428 -5.566 4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.482 -6.950 4.651 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.635 -6.298 1.181 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.178 -7.373 2.474 1.00 0.00 H new ATOM 708 N ASP A 49 7.874 0.261 3.962 1.00 0.00 N ATOM 709 CA ASP A 49 9.251 0.414 4.516 1.00 0.00 C ATOM 710 C ASP A 49 9.361 -0.318 5.853 1.00 0.00 C ATOM 711 O ASP A 49 8.390 -0.441 6.576 1.00 0.00 O ATOM 712 CB ASP A 49 9.548 1.895 4.725 1.00 0.00 C ATOM 713 CG ASP A 49 11.061 2.117 4.681 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.678 1.851 5.700 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.515 2.541 3.630 1.00 0.00 O ATOM 0 H ASP A 49 7.236 1.034 4.150 1.00 0.00 H new ATOM 0 HA ASP A 49 9.969 -0.012 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.059 2.489 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.148 2.227 5.683 1.00 0.00 H new ATOM 720 N ALA A 50 10.546 -0.779 6.156 1.00 0.00 N ATOM 721 CA ALA A 50 10.745 -1.514 7.435 1.00 0.00 C ATOM 722 C ALA A 50 10.053 -0.771 8.573 1.00 0.00 C ATOM 723 O ALA A 50 9.626 -1.368 9.542 1.00 0.00 O ATOM 724 CB ALA A 50 12.242 -1.615 7.728 1.00 0.00 C ATOM 0 H ALA A 50 11.379 -0.678 5.576 1.00 0.00 H new ATOM 0 HA ALA A 50 10.317 -2.513 7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.394 -2.153 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.736 -2.151 6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.665 -0.614 7.812 1.00 0.00 H new ATOM 730 N GLN A 51 9.957 0.518 8.430 1.00 0.00 N ATOM 731 CA GLN A 51 9.289 1.321 9.490 1.00 0.00 C ATOM 732 C GLN A 51 7.772 1.226 9.326 1.00 0.00 C ATOM 733 O GLN A 51 7.040 2.086 9.776 1.00 0.00 O ATOM 734 CB GLN A 51 9.726 2.780 9.367 1.00 0.00 C ATOM 735 CG GLN A 51 11.149 2.924 9.911 1.00 0.00 C ATOM 736 CD GLN A 51 11.714 4.282 9.490 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.910 4.456 9.362 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.889 5.269 9.267 1.00 0.00 N ATOM 0 H GLN A 51 10.308 1.048 7.633 1.00 0.00 H new ATOM 0 HA GLN A 51 9.569 0.936 10.471 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.688 3.097 8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.044 3.425 9.922 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.146 2.839 10.998 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.780 2.121 9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.884 5.128 9.373 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.249 6.181 8.987 1.00 0.00 H new ATOM 747 N GLY A 52 7.333 0.178 8.681 1.00 0.00 N ATOM 748 CA GLY A 52 5.872 0.013 8.469 1.00 0.00 C ATOM 749 C GLY A 52 5.297 1.274 7.830 1.00 0.00 C ATOM 750 O GLY A 52 4.190 1.674 8.129 1.00 0.00 O ATOM 0 H GLY A 52 7.919 -0.563 8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.683 -0.849 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.377 -0.182 9.420 1.00 0.00 H new ATOM 754 N ASN A 53 6.073 1.872 6.958 1.00 0.00 N ATOM 755 CA ASN A 53 5.604 3.127 6.283 1.00 0.00 C ATOM 756 C ASN A 53 5.426 2.897 4.779 1.00 0.00 C ATOM 757 O ASN A 53 6.361 2.551 4.085 1.00 0.00 O ATOM 758 CB ASN A 53 6.640 4.226 6.503 1.00 0.00 C ATOM 759 CG ASN A 53 6.426 4.854 7.881 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.680 5.801 8.037 1.00 0.00 O ATOM 761 ND2 ASN A 53 7.061 4.359 8.906 1.00 0.00 N ATOM 0 H ASN A 53 7.002 1.551 6.685 1.00 0.00 H new ATOM 0 HA ASN A 53 4.644 3.419 6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.646 3.813 6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.551 4.986 5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.930 4.766 9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.688 3.564 8.782 1.00 0.00 H new ATOM 768 N CYS A 54 4.228 3.104 4.308 1.00 0.00 N ATOM 769 CA CYS A 54 3.968 2.909 2.851 1.00 0.00 C ATOM 770 C CYS A 54 4.614 4.045 2.052 1.00 0.00 C ATOM 771 O CYS A 54 4.290 5.201 2.243 1.00 0.00 O ATOM 772 CB CYS A 54 2.458 2.910 2.610 1.00 0.00 C ATOM 773 SG CYS A 54 1.888 2.975 0.893 1.00 0.00 S ATOM 0 H CYS A 54 3.423 3.397 4.862 1.00 0.00 H new ATOM 0 HA CYS A 54 4.394 1.959 2.528 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.043 2.012 3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.033 3.764 3.138 1.00 0.00 H new ATOM 778 N ILE A 55 5.520 3.693 1.174 1.00 0.00 N ATOM 779 CA ILE A 55 6.199 4.744 0.359 1.00 0.00 C ATOM 780 C ILE A 55 6.396 4.273 -1.083 1.00 0.00 C ATOM 781 O ILE A 55 6.496 3.091 -1.349 1.00 0.00 O ATOM 782 CB ILE A 55 7.563 5.064 0.983 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.394 3.774 1.087 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.354 5.644 2.383 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.796 4.117 1.599 1.00 0.00 C ATOM 0 H ILE A 55 5.816 2.735 0.988 1.00 0.00 H new ATOM 0 HA ILE A 55 5.573 5.636 0.348 1.00 0.00 H new ATOM 0 HB ILE A 55 8.089 5.787 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.910 3.069 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.458 3.289 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.321 5.873 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.761 6.556 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.830 4.917 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.389 3.205 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.278 4.807 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.721 4.583 2.581 1.00 0.00 H new ATOM 797 N LYS A 56 6.450 5.215 -1.981 1.00 0.00 N ATOM 798 CA LYS A 56 6.648 4.856 -3.419 1.00 0.00 C ATOM 799 C LYS A 56 7.851 3.913 -3.575 1.00 0.00 C ATOM 800 O LYS A 56 8.646 3.759 -2.669 1.00 0.00 O ATOM 801 CB LYS A 56 6.915 6.132 -4.223 1.00 0.00 C ATOM 802 CG LYS A 56 6.211 7.314 -3.555 1.00 0.00 C ATOM 803 CD LYS A 56 5.918 8.385 -4.608 1.00 0.00 C ATOM 804 CE LYS A 56 5.830 9.751 -3.924 1.00 0.00 C ATOM 805 NZ LYS A 56 7.180 10.373 -3.824 1.00 0.00 N ATOM 0 H LYS A 56 6.367 6.213 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 56 5.751 4.356 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.987 6.320 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.556 6.012 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.284 6.983 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.838 7.726 -2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.703 8.393 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.983 8.161 -5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.163 10.404 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.400 9.639 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.097 11.314 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.796 9.773 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.590 10.467 -4.775 1.00 0.00 H new ATOM 819 N PHE A 57 7.954 3.308 -4.728 1.00 0.00 N ATOM 820 CA PHE A 57 9.099 2.379 -4.977 1.00 0.00 C ATOM 821 C PHE A 57 10.383 3.179 -5.216 1.00 0.00 C ATOM 822 O PHE A 57 11.462 2.752 -4.854 1.00 0.00 O ATOM 823 CB PHE A 57 8.789 1.537 -6.214 1.00 0.00 C ATOM 824 CG PHE A 57 9.110 0.068 -5.929 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.407 -0.326 -5.649 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.107 -0.888 -5.946 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.696 -1.651 -5.394 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.397 -2.212 -5.690 1.00 0.00 C ATOM 829 CZ PHE A 57 9.690 -2.592 -5.414 1.00 0.00 C ATOM 0 H PHE A 57 7.301 3.414 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 57 9.240 1.735 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.739 1.644 -6.485 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.375 1.890 -7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.198 0.409 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.090 -0.594 -6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.711 -1.950 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.609 -2.950 -5.706 1.00 0.00 H new ATOM 0 HZ PHE A 57 9.917 -3.629 -5.213 1.00 0.00 H new ATOM 839 N GLU A 58 10.237 4.324 -5.823 1.00 0.00 N ATOM 840 CA GLU A 58 11.436 5.169 -6.101 1.00 0.00 C ATOM 841 C GLU A 58 12.031 5.699 -4.791 1.00 0.00 C ATOM 842 O GLU A 58 13.144 6.185 -4.764 1.00 0.00 O ATOM 843 CB GLU A 58 11.023 6.343 -6.985 1.00 0.00 C ATOM 844 CG GLU A 58 9.777 5.953 -7.783 1.00 0.00 C ATOM 845 CD GLU A 58 9.628 6.893 -8.983 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.568 6.932 -9.760 1.00 0.00 O ATOM 847 OE2 GLU A 58 8.582 7.518 -9.054 1.00 0.00 O ATOM 0 H GLU A 58 9.347 4.711 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 58 12.189 4.566 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.818 7.221 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.835 6.609 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.858 4.921 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.892 6.011 -7.149 1.00 0.00 H new ATOM 854 N ASP A 59 11.275 5.594 -3.731 1.00 0.00 N ATOM 855 CA ASP A 59 11.785 6.088 -2.417 1.00 0.00 C ATOM 856 C ASP A 59 12.450 4.942 -1.648 1.00 0.00 C ATOM 857 O ASP A 59 12.577 4.991 -0.440 1.00 0.00 O ATOM 858 CB ASP A 59 10.616 6.640 -1.603 1.00 0.00 C ATOM 859 CG ASP A 59 10.012 7.839 -2.340 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.587 8.195 -3.354 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.010 8.329 -1.845 1.00 0.00 O ATOM 0 H ASP A 59 10.337 5.193 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 59 12.521 6.874 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.860 5.868 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.957 6.941 -0.612 1.00 0.00 H new ATOM 866 N CYS A 60 12.860 3.936 -2.368 1.00 0.00 N ATOM 867 CA CYS A 60 13.521 2.774 -1.704 1.00 0.00 C ATOM 868 C CYS A 60 14.857 3.225 -1.066 1.00 0.00 C ATOM 869 O CYS A 60 15.411 4.234 -1.452 1.00 0.00 O ATOM 870 CB CYS A 60 13.794 1.709 -2.768 1.00 0.00 C ATOM 871 SG CYS A 60 12.589 0.374 -2.941 1.00 0.00 S ATOM 0 H CYS A 60 12.768 3.866 -3.381 1.00 0.00 H new ATOM 0 HA CYS A 60 12.877 2.372 -0.921 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.880 2.211 -3.732 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.764 1.261 -2.554 1.00 0.00 H new ATOM 876 N PRO A 61 15.349 2.465 -0.093 1.00 0.00 N ATOM 877 CA PRO A 61 16.620 2.799 0.568 1.00 0.00 C ATOM 878 C PRO A 61 17.744 2.957 -0.462 1.00 0.00 C ATOM 879 O PRO A 61 17.492 3.129 -1.638 1.00 0.00 O ATOM 880 CB PRO A 61 16.910 1.620 1.506 1.00 0.00 C ATOM 881 CG PRO A 61 15.714 0.626 1.390 1.00 0.00 C ATOM 882 CD PRO A 61 14.694 1.243 0.415 1.00 0.00 C ATOM 0 HA PRO A 61 16.558 3.744 1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.844 1.131 1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.023 1.966 2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.055 -0.343 1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.259 0.458 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.456 0.555 -0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.756 1.477 0.919 1.00 0.00 H new ATOM 890 N LYS A 62 18.960 2.899 0.008 1.00 0.00 N ATOM 891 CA LYS A 62 20.121 3.045 -0.923 1.00 0.00 C ATOM 892 C LYS A 62 19.877 2.243 -2.208 1.00 0.00 C ATOM 893 O LYS A 62 19.968 2.860 -3.257 1.00 0.00 O ATOM 894 CB LYS A 62 21.385 2.528 -0.236 1.00 0.00 C ATOM 895 CG LYS A 62 21.173 2.535 1.279 1.00 0.00 C ATOM 896 CD LYS A 62 22.519 2.314 1.974 1.00 0.00 C ATOM 897 CE LYS A 62 22.293 1.538 3.275 1.00 0.00 C ATOM 898 NZ LYS A 62 22.221 0.074 3.004 1.00 0.00 N ATOM 899 OXT LYS A 62 19.616 1.060 -2.066 1.00 0.00 O ATOM 0 H LYS A 62 19.202 2.758 0.989 1.00 0.00 H new ATOM 0 HA LYS A 62 20.240 4.097 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.613 1.519 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.238 3.154 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.739 3.484 1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 62 20.470 1.753 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.193 1.762 1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 62 22.994 3.272 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 62 23.103 1.745 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.370 1.872 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 22.067 -0.437 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 21.433 -0.120 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 23.112 -0.243 2.572 1.00 0.00 H new TER 913 LYS A 62