USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 473 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 ASP N :NH3+ 165:sc= 0.0756 (180deg=-0.355) USER MOD Single : A 4 SER OG : rot -38:sc= 0.0872 USER MOD Single : A 5 SER OG : rot -13:sc= 0.549! USER MOD Single : A 6 LYS NZ :NH3+ -153:sc= -0.0776 (180deg=-0.425) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.185 (180deg=-1.08) USER MOD Single : A 17 SER OG : rot 180:sc= -0.211! USER MOD Single : A 18 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 21 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -5.61! C(o=-5.6!,f=-11!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 33 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-13!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0883 USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= -0.0262 (180deg=-0.328) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.43! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0714 K(o=-0.071,f=-2!) USER MOD Single : A 55 THR OG1 : rot -153:sc= -0.302! USER MOD Single : A 59 TYR OH : rot 98:sc= 0.0433 USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.0317 (180deg=-0.731) USER MOD Single : A 65 SER OG : rot 55:sc= 0.143 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.436 K(o=-0.44,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 16.750 1.971 -11.919 1.00 0.00 N ATOM 2 CA ASP A 1 17.112 1.962 -10.481 1.00 0.00 C ATOM 3 C ASP A 1 17.979 0.748 -10.165 1.00 0.00 C ATOM 4 O ASP A 1 17.538 -0.181 -9.518 1.00 0.00 O ATOM 5 CB ASP A 1 15.840 1.890 -9.621 1.00 0.00 C ATOM 6 CG ASP A 1 14.805 1.008 -10.320 1.00 0.00 C ATOM 7 OD1 ASP A 1 15.203 -0.068 -10.735 1.00 0.00 O ATOM 8 OD2 ASP A 1 13.674 1.459 -10.401 1.00 0.00 O ATOM 0 H1 ASP A 1 15.968 2.639 -12.076 1.00 0.00 H new ATOM 0 H2 ASP A 1 17.574 2.264 -12.483 1.00 0.00 H new ATOM 0 H3 ASP A 1 16.454 1.017 -12.208 1.00 0.00 H new ATOM 0 HA ASP A 1 17.662 2.877 -10.259 1.00 0.00 H new ATOM 0 HB2 ASP A 1 16.075 1.484 -8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 1 15.436 2.890 -9.465 1.00 0.00 H new ATOM 15 N ASP A 2 19.199 0.782 -10.633 1.00 0.00 N ATOM 16 CA ASP A 2 20.116 -0.359 -10.375 1.00 0.00 C ATOM 17 C ASP A 2 21.534 0.139 -10.117 1.00 0.00 C ATOM 18 O ASP A 2 22.486 -0.611 -10.217 1.00 0.00 O ATOM 19 CB ASP A 2 20.128 -1.262 -11.617 1.00 0.00 C ATOM 20 CG ASP A 2 18.946 -2.231 -11.552 1.00 0.00 C ATOM 21 OD1 ASP A 2 19.061 -3.174 -10.787 1.00 0.00 O ATOM 22 OD2 ASP A 2 17.993 -1.974 -12.270 1.00 0.00 O ATOM 0 H ASP A 2 19.595 1.547 -11.179 1.00 0.00 H new ATOM 0 HA ASP A 2 19.770 -0.905 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.067 -0.656 -12.521 1.00 0.00 H new ATOM 0 HB3 ASP A 2 21.065 -1.817 -11.668 1.00 0.00 H new ATOM 27 N GLU A 3 21.651 1.399 -9.790 1.00 0.00 N ATOM 28 CA GLU A 3 23.000 1.961 -9.525 1.00 0.00 C ATOM 29 C GLU A 3 23.642 1.291 -8.314 1.00 0.00 C ATOM 30 O GLU A 3 23.068 0.407 -7.713 1.00 0.00 O ATOM 31 CB GLU A 3 22.853 3.462 -9.239 1.00 0.00 C ATOM 32 CG GLU A 3 22.701 4.210 -10.565 1.00 0.00 C ATOM 33 CD GLU A 3 22.307 5.661 -10.285 1.00 0.00 C ATOM 34 OE1 GLU A 3 22.537 6.077 -9.161 1.00 0.00 O ATOM 35 OE2 GLU A 3 21.798 6.272 -11.210 1.00 0.00 O ATOM 0 H GLU A 3 20.876 2.055 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 3 23.633 1.787 -10.395 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.985 3.641 -8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 3 23.725 3.829 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 3 23.636 4.177 -11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.943 3.728 -11.183 1.00 0.00 H new ATOM 42 N SER A 4 24.827 1.728 -7.981 1.00 0.00 N ATOM 43 CA SER A 4 25.524 1.130 -6.814 1.00 0.00 C ATOM 44 C SER A 4 25.131 1.837 -5.523 1.00 0.00 C ATOM 45 O SER A 4 25.475 1.401 -4.441 1.00 0.00 O ATOM 46 CB SER A 4 27.037 1.285 -7.020 1.00 0.00 C ATOM 47 OG SER A 4 27.605 0.285 -6.187 1.00 0.00 O ATOM 0 H SER A 4 25.337 2.468 -8.464 1.00 0.00 H new ATOM 0 HA SER A 4 25.243 0.080 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 4 27.314 1.139 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 4 27.378 2.281 -6.736 1.00 0.00 H new ATOM 0 HG SER A 4 27.088 0.218 -5.357 1.00 0.00 H new ATOM 53 N SER A 5 24.418 2.918 -5.659 1.00 0.00 N ATOM 54 CA SER A 5 23.994 3.667 -4.451 1.00 0.00 C ATOM 55 C SER A 5 22.823 2.971 -3.772 1.00 0.00 C ATOM 56 O SER A 5 22.446 3.313 -2.670 1.00 0.00 O ATOM 57 CB SER A 5 23.555 5.074 -4.881 1.00 0.00 C ATOM 58 OG SER A 5 23.018 5.645 -3.698 1.00 0.00 O ATOM 0 H SER A 5 24.113 3.312 -6.549 1.00 0.00 H new ATOM 0 HA SER A 5 24.827 3.717 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.396 5.656 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.812 5.034 -5.677 1.00 0.00 H new ATOM 0 HG SER A 5 22.886 4.943 -3.027 1.00 0.00 H new ATOM 64 N LYS A 6 22.271 2.007 -4.448 1.00 0.00 N ATOM 65 CA LYS A 6 21.129 1.273 -3.871 1.00 0.00 C ATOM 66 C LYS A 6 21.576 0.493 -2.605 1.00 0.00 C ATOM 67 O LYS A 6 22.562 -0.217 -2.655 1.00 0.00 O ATOM 68 CB LYS A 6 20.645 0.270 -4.940 1.00 0.00 C ATOM 69 CG LYS A 6 19.993 -0.942 -4.267 1.00 0.00 C ATOM 70 CD LYS A 6 19.135 -1.674 -5.299 1.00 0.00 C ATOM 71 CE LYS A 6 17.689 -1.194 -5.181 1.00 0.00 C ATOM 72 NZ LYS A 6 17.077 -1.693 -3.920 1.00 0.00 N ATOM 0 H LYS A 6 22.565 1.699 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 6 20.337 1.966 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.931 0.753 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.486 -0.053 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.757 -1.610 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.380 -0.622 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.513 -1.485 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.188 -2.750 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.658 -0.105 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.112 -1.545 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.047 -1.773 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.472 -2.627 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.283 -1.028 -3.147 1.00 0.00 H new ATOM 86 N PRO A 7 20.857 0.626 -1.474 1.00 0.00 N ATOM 87 CA PRO A 7 21.247 -0.095 -0.261 1.00 0.00 C ATOM 88 C PRO A 7 21.312 -1.594 -0.510 1.00 0.00 C ATOM 89 O PRO A 7 20.308 -2.220 -0.789 1.00 0.00 O ATOM 90 CB PRO A 7 20.139 0.209 0.766 1.00 0.00 C ATOM 91 CG PRO A 7 19.151 1.211 0.107 1.00 0.00 C ATOM 92 CD PRO A 7 19.647 1.469 -1.326 1.00 0.00 C ATOM 0 HA PRO A 7 22.235 0.215 0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 7 19.622 -0.706 1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 7 20.565 0.633 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 7 18.140 0.803 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.113 2.141 0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 7 18.887 1.201 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.880 2.523 -1.479 1.00 0.00 H new ATOM 100 N CYS A 8 22.498 -2.140 -0.400 1.00 0.00 N ATOM 101 CA CYS A 8 22.664 -3.602 -0.625 1.00 0.00 C ATOM 102 C CYS A 8 23.233 -4.272 0.592 1.00 0.00 C ATOM 103 O CYS A 8 23.113 -3.782 1.697 1.00 0.00 O ATOM 104 CB CYS A 8 23.641 -3.821 -1.780 1.00 0.00 C ATOM 105 SG CYS A 8 25.403 -3.953 -1.375 1.00 0.00 S ATOM 0 H CYS A 8 23.353 -1.636 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 8 21.685 -4.026 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 8 23.347 -4.732 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 8 23.519 -2.998 -2.484 1.00 0.00 H new ATOM 110 N CYS A 9 23.848 -5.385 0.370 1.00 0.00 N ATOM 111 CA CYS A 9 24.442 -6.113 1.527 1.00 0.00 C ATOM 112 C CYS A 9 25.528 -7.102 1.121 1.00 0.00 C ATOM 113 O CYS A 9 25.887 -7.211 -0.023 1.00 0.00 O ATOM 114 CB CYS A 9 23.322 -6.896 2.210 1.00 0.00 C ATOM 115 SG CYS A 9 22.758 -6.286 3.802 1.00 0.00 S ATOM 0 H CYS A 9 23.969 -5.824 -0.543 1.00 0.00 H new ATOM 0 HA CYS A 9 24.903 -5.373 2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.467 -6.923 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.658 -7.925 2.341 1.00 0.00 H new ATOM 120 N ASP A 10 26.039 -7.791 2.106 1.00 0.00 N ATOM 121 CA ASP A 10 27.104 -8.791 1.849 1.00 0.00 C ATOM 122 C ASP A 10 26.984 -9.920 2.861 1.00 0.00 C ATOM 123 O ASP A 10 26.876 -11.077 2.504 1.00 0.00 O ATOM 124 CB ASP A 10 28.470 -8.113 2.021 1.00 0.00 C ATOM 125 CG ASP A 10 28.960 -7.610 0.662 1.00 0.00 C ATOM 126 OD1 ASP A 10 29.347 -8.462 -0.122 1.00 0.00 O ATOM 127 OD2 ASP A 10 28.921 -6.405 0.485 1.00 0.00 O ATOM 0 H ASP A 10 25.759 -7.700 3.083 1.00 0.00 H new ATOM 0 HA ASP A 10 27.005 -9.188 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 10 28.391 -7.282 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 10 29.188 -8.817 2.441 1.00 0.00 H new ATOM 132 N GLN A 11 27.005 -9.546 4.110 1.00 0.00 N ATOM 133 CA GLN A 11 26.893 -10.548 5.202 1.00 0.00 C ATOM 134 C GLN A 11 25.739 -10.162 6.110 1.00 0.00 C ATOM 135 O GLN A 11 25.812 -9.178 6.822 1.00 0.00 O ATOM 136 CB GLN A 11 28.192 -10.536 6.017 1.00 0.00 C ATOM 137 CG GLN A 11 29.377 -10.373 5.065 1.00 0.00 C ATOM 138 CD GLN A 11 30.665 -10.763 5.791 1.00 0.00 C ATOM 139 OE1 GLN A 11 30.962 -11.927 5.972 1.00 0.00 O ATOM 140 NE2 GLN A 11 31.459 -9.820 6.220 1.00 0.00 N ATOM 0 H GLN A 11 27.096 -8.579 4.422 1.00 0.00 H new ATOM 0 HA GLN A 11 26.721 -11.540 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 11 28.175 -9.720 6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.289 -11.462 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 11 29.239 -10.999 4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.440 -9.342 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 11 31.215 -8.841 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 11 32.323 -10.062 6.704 1.00 0.00 H new ATOM 149 N CYS A 12 24.689 -10.937 6.069 1.00 0.00 N ATOM 150 CA CYS A 12 23.519 -10.624 6.926 1.00 0.00 C ATOM 151 C CYS A 12 23.506 -11.451 8.203 1.00 0.00 C ATOM 152 O CYS A 12 24.114 -12.499 8.281 1.00 0.00 O ATOM 153 CB CYS A 12 22.244 -10.939 6.134 1.00 0.00 C ATOM 154 SG CYS A 12 20.748 -11.304 7.088 1.00 0.00 S ATOM 0 H CYS A 12 24.594 -11.766 5.483 1.00 0.00 H new ATOM 0 HA CYS A 12 23.575 -9.572 7.205 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.032 -10.090 5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.450 -11.792 5.488 1.00 0.00 H new ATOM 159 N ALA A 13 22.807 -10.949 9.185 1.00 0.00 N ATOM 160 CA ALA A 13 22.721 -11.671 10.479 1.00 0.00 C ATOM 161 C ALA A 13 21.497 -11.205 11.264 1.00 0.00 C ATOM 162 O ALA A 13 21.177 -10.031 11.261 1.00 0.00 O ATOM 163 CB ALA A 13 23.985 -11.355 11.294 1.00 0.00 C ATOM 0 H ALA A 13 22.293 -10.069 9.143 1.00 0.00 H new ATOM 0 HA ALA A 13 22.636 -12.742 10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 13 23.941 -11.877 12.250 1.00 0.00 H new ATOM 0 HB2 ALA A 13 24.866 -11.683 10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.046 -10.281 11.469 1.00 0.00 H new ATOM 169 N CYS A 14 20.831 -12.133 11.918 1.00 0.00 N ATOM 170 CA CYS A 14 19.621 -11.754 12.708 1.00 0.00 C ATOM 171 C CYS A 14 19.648 -12.315 14.111 1.00 0.00 C ATOM 172 O CYS A 14 20.171 -13.384 14.358 1.00 0.00 O ATOM 173 CB CYS A 14 18.366 -12.285 11.999 1.00 0.00 C ATOM 174 SG CYS A 14 17.093 -11.078 11.536 1.00 0.00 S ATOM 0 H CYS A 14 21.073 -13.124 11.937 1.00 0.00 H new ATOM 0 HA CYS A 14 19.609 -10.666 12.777 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.684 -12.802 11.094 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.904 -13.030 12.646 1.00 0.00 H new ATOM 179 N THR A 15 19.071 -11.560 15.007 1.00 0.00 N ATOM 180 CA THR A 15 19.022 -11.985 16.425 1.00 0.00 C ATOM 181 C THR A 15 17.604 -12.390 16.800 1.00 0.00 C ATOM 182 O THR A 15 16.649 -11.718 16.450 1.00 0.00 O ATOM 183 CB THR A 15 19.445 -10.802 17.296 1.00 0.00 C ATOM 184 OG1 THR A 15 18.245 -10.125 17.614 1.00 0.00 O ATOM 185 CG2 THR A 15 20.254 -9.789 16.477 1.00 0.00 C ATOM 0 H THR A 15 18.630 -10.662 14.810 1.00 0.00 H new ATOM 0 HA THR A 15 19.687 -12.835 16.576 1.00 0.00 H new ATOM 0 HB THR A 15 20.025 -11.156 18.148 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.447 -9.349 18.178 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.545 -8.955 17.115 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.147 -10.272 16.081 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.645 -9.419 15.652 1.00 0.00 H new ATOM 193 N LYS A 16 17.489 -13.478 17.505 1.00 0.00 N ATOM 194 CA LYS A 16 16.144 -13.944 17.914 1.00 0.00 C ATOM 195 C LYS A 16 15.618 -13.132 19.091 1.00 0.00 C ATOM 196 O LYS A 16 15.194 -13.684 20.087 1.00 0.00 O ATOM 197 CB LYS A 16 16.247 -15.420 18.331 1.00 0.00 C ATOM 198 CG LYS A 16 17.015 -16.196 17.249 1.00 0.00 C ATOM 199 CD LYS A 16 18.459 -16.449 17.707 1.00 0.00 C ATOM 200 CE LYS A 16 19.341 -16.670 16.476 1.00 0.00 C ATOM 201 NZ LYS A 16 18.579 -17.376 15.408 1.00 0.00 N ATOM 0 H LYS A 16 18.267 -14.061 17.813 1.00 0.00 H new ATOM 0 HA LYS A 16 15.457 -13.821 17.077 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.759 -15.505 19.290 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.251 -15.844 18.463 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.517 -17.145 17.048 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.014 -15.632 16.316 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.825 -15.600 18.285 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.499 -17.320 18.360 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.700 -15.711 16.102 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.219 -17.254 16.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.243 -17.857 14.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.945 -18.078 15.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.017 -16.687 14.869 1.00 0.00 H new ATOM 215 N SER A 17 15.652 -11.835 18.957 1.00 0.00 N ATOM 216 CA SER A 17 15.157 -10.976 20.061 1.00 0.00 C ATOM 217 C SER A 17 13.634 -10.907 20.033 1.00 0.00 C ATOM 218 O SER A 17 13.000 -11.585 19.247 1.00 0.00 O ATOM 219 CB SER A 17 15.727 -9.562 19.872 1.00 0.00 C ATOM 220 OG SER A 17 15.153 -8.809 20.930 1.00 0.00 O ATOM 0 H SER A 17 15.999 -11.339 18.136 1.00 0.00 H new ATOM 0 HA SER A 17 15.474 -11.393 21.017 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.816 -9.561 19.928 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.457 -9.151 18.899 1.00 0.00 H new ATOM 0 HG SER A 17 15.471 -7.883 20.882 1.00 0.00 H new ATOM 226 N ASN A 18 13.076 -10.093 20.893 1.00 0.00 N ATOM 227 CA ASN A 18 11.597 -9.966 20.933 1.00 0.00 C ATOM 228 C ASN A 18 11.167 -8.482 21.044 1.00 0.00 C ATOM 229 O ASN A 18 11.138 -7.945 22.133 1.00 0.00 O ATOM 230 CB ASN A 18 11.108 -10.693 22.195 1.00 0.00 C ATOM 231 CG ASN A 18 11.414 -12.187 22.070 1.00 0.00 C ATOM 232 OD1 ASN A 18 12.437 -12.662 22.523 1.00 0.00 O ATOM 233 ND2 ASN A 18 10.555 -12.963 21.465 1.00 0.00 N ATOM 0 H ASN A 18 13.582 -9.515 21.564 1.00 0.00 H new ATOM 0 HA ASN A 18 11.175 -10.387 20.020 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.598 -10.283 23.078 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.037 -10.539 22.325 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.745 -13.961 21.375 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.695 -12.571 21.083 1.00 0.00 H new ATOM 240 N PRO A 19 10.831 -7.825 19.920 1.00 0.00 N ATOM 241 CA PRO A 19 10.842 -8.403 18.555 1.00 0.00 C ATOM 242 C PRO A 19 12.275 -8.714 18.082 1.00 0.00 C ATOM 243 O PRO A 19 13.235 -8.263 18.679 1.00 0.00 O ATOM 244 CB PRO A 19 10.260 -7.290 17.659 1.00 0.00 C ATOM 245 CG PRO A 19 10.022 -6.040 18.551 1.00 0.00 C ATOM 246 CD PRO A 19 10.407 -6.421 19.987 1.00 0.00 C ATOM 0 HA PRO A 19 10.282 -9.337 18.521 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.948 -7.055 16.847 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.326 -7.617 17.202 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.623 -5.200 18.203 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.979 -5.727 18.503 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.211 -5.786 20.360 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.563 -6.298 20.665 1.00 0.00 H new ATOM 254 N PRO A 20 12.396 -9.481 17.005 1.00 0.00 N ATOM 255 CA PRO A 20 13.712 -9.838 16.462 1.00 0.00 C ATOM 256 C PRO A 20 14.433 -8.605 15.911 1.00 0.00 C ATOM 257 O PRO A 20 13.909 -7.509 15.952 1.00 0.00 O ATOM 258 CB PRO A 20 13.409 -10.802 15.296 1.00 0.00 C ATOM 259 CG PRO A 20 11.866 -10.831 15.106 1.00 0.00 C ATOM 260 CD PRO A 20 11.247 -10.060 16.282 1.00 0.00 C ATOM 0 HA PRO A 20 14.352 -10.274 17.229 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.902 -10.467 14.383 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.788 -11.800 15.515 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.587 -10.373 14.157 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.501 -11.858 15.085 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.569 -9.282 15.931 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.668 -10.721 16.926 1.00 0.00 H new ATOM 268 N GLN A 21 15.620 -8.808 15.407 1.00 0.00 N ATOM 269 CA GLN A 21 16.389 -7.669 14.849 1.00 0.00 C ATOM 270 C GLN A 21 17.292 -8.166 13.726 1.00 0.00 C ATOM 271 O GLN A 21 17.593 -9.344 13.669 1.00 0.00 O ATOM 272 CB GLN A 21 17.258 -7.097 15.971 1.00 0.00 C ATOM 273 CG GLN A 21 16.928 -5.616 16.162 1.00 0.00 C ATOM 274 CD GLN A 21 15.488 -5.475 16.662 1.00 0.00 C ATOM 275 OE1 GLN A 21 15.164 -5.847 17.773 1.00 0.00 O ATOM 276 NE2 GLN A 21 14.594 -4.940 15.875 1.00 0.00 N ATOM 0 H GLN A 21 16.087 -9.714 15.359 1.00 0.00 H new ATOM 0 HA GLN A 21 15.712 -6.910 14.456 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.081 -7.643 16.898 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.313 -7.217 15.726 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.618 -5.168 16.877 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.052 -5.080 15.221 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.859 -4.626 14.942 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.631 -4.836 16.194 1.00 0.00 H new ATOM 285 N CYS A 22 17.714 -7.287 12.838 1.00 0.00 N ATOM 286 CA CYS A 22 18.596 -7.786 11.742 1.00 0.00 C ATOM 287 C CYS A 22 19.577 -6.760 11.209 1.00 0.00 C ATOM 288 O CYS A 22 19.206 -5.752 10.646 1.00 0.00 O ATOM 289 CB CYS A 22 17.726 -8.269 10.580 1.00 0.00 C ATOM 290 SG CYS A 22 17.926 -9.994 10.053 1.00 0.00 S ATOM 0 H CYS A 22 17.495 -6.291 12.827 1.00 0.00 H new ATOM 0 HA CYS A 22 19.189 -8.590 12.178 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.682 -8.119 10.855 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.925 -7.628 9.721 1.00 0.00 H new ATOM 295 N ARG A 23 20.827 -7.067 11.403 1.00 0.00 N ATOM 296 CA ARG A 23 21.903 -6.186 10.941 1.00 0.00 C ATOM 297 C ARG A 23 22.620 -6.854 9.790 1.00 0.00 C ATOM 298 O ARG A 23 22.770 -8.061 9.773 1.00 0.00 O ATOM 299 CB ARG A 23 22.910 -6.003 12.080 1.00 0.00 C ATOM 300 CG ARG A 23 23.314 -4.547 12.130 1.00 0.00 C ATOM 301 CD ARG A 23 24.349 -4.342 13.241 1.00 0.00 C ATOM 302 NE ARG A 23 24.580 -5.638 13.946 1.00 0.00 N ATOM 303 CZ ARG A 23 25.789 -6.131 14.008 1.00 0.00 C ATOM 304 NH1 ARG A 23 26.220 -6.871 13.023 1.00 0.00 N ATOM 305 NH2 ARG A 23 26.523 -5.872 15.055 1.00 0.00 N ATOM 0 H ARG A 23 21.143 -7.914 11.875 1.00 0.00 H new ATOM 0 HA ARG A 23 21.490 -5.226 10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.468 -6.307 13.029 1.00 0.00 H new ATOM 0 HB3 ARG A 23 23.784 -6.634 11.919 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.730 -4.241 11.170 1.00 0.00 H new ATOM 0 HG3 ARG A 23 22.440 -3.922 12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.284 -3.973 12.819 1.00 0.00 H new ATOM 0 HD3 ARG A 23 23.998 -3.589 13.946 1.00 0.00 H new ATOM 0 HE ARG A 23 23.800 -6.135 14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.616 -7.056 12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.161 -7.264 13.054 1.00 0.00 H new ATOM 0 HH21 ARG A 23 26.151 -5.293 15.808 1.00 0.00 H new ATOM 0 HH22 ARG A 23 27.469 -6.248 15.121 1.00 0.00 H new ATOM 319 N CYS A 24 23.053 -6.082 8.854 1.00 0.00 N ATOM 320 CA CYS A 24 23.756 -6.687 7.712 1.00 0.00 C ATOM 321 C CYS A 24 24.740 -5.707 7.102 1.00 0.00 C ATOM 322 O CYS A 24 24.806 -4.562 7.505 1.00 0.00 O ATOM 323 CB CYS A 24 22.705 -7.069 6.674 1.00 0.00 C ATOM 324 SG CYS A 24 23.286 -7.724 5.103 1.00 0.00 S ATOM 0 H CYS A 24 22.953 -5.067 8.828 1.00 0.00 H new ATOM 0 HA CYS A 24 24.317 -7.561 8.044 1.00 0.00 H new ATOM 0 HB2 CYS A 24 22.043 -7.810 7.123 1.00 0.00 H new ATOM 0 HB3 CYS A 24 22.101 -6.186 6.467 1.00 0.00 H new ATOM 329 N SER A 25 25.491 -6.164 6.138 1.00 0.00 N ATOM 330 CA SER A 25 26.471 -5.248 5.510 1.00 0.00 C ATOM 331 C SER A 25 27.264 -4.556 6.599 1.00 0.00 C ATOM 332 O SER A 25 27.542 -3.374 6.532 1.00 0.00 O ATOM 333 CB SER A 25 25.703 -4.201 4.705 1.00 0.00 C ATOM 334 OG SER A 25 26.527 -3.959 3.575 1.00 0.00 O ATOM 0 H SER A 25 25.467 -7.114 5.767 1.00 0.00 H new ATOM 0 HA SER A 25 27.148 -5.801 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.720 -4.568 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.543 -3.291 5.284 1.00 0.00 H new ATOM 0 HG SER A 25 26.102 -3.291 2.997 1.00 0.00 H new ATOM 340 N ASP A 26 27.603 -5.328 7.589 1.00 0.00 N ATOM 341 CA ASP A 26 28.372 -4.811 8.728 1.00 0.00 C ATOM 342 C ASP A 26 29.382 -3.747 8.311 1.00 0.00 C ATOM 343 O ASP A 26 29.197 -2.570 8.581 1.00 0.00 O ATOM 344 CB ASP A 26 29.120 -5.999 9.322 1.00 0.00 C ATOM 345 CG ASP A 26 28.314 -6.576 10.488 1.00 0.00 C ATOM 346 OD1 ASP A 26 27.105 -6.626 10.337 1.00 0.00 O ATOM 347 OD2 ASP A 26 28.954 -6.937 11.462 1.00 0.00 O ATOM 0 H ASP A 26 27.369 -6.319 7.649 1.00 0.00 H new ATOM 0 HA ASP A 26 27.693 -4.343 9.440 1.00 0.00 H new ATOM 0 HB2 ASP A 26 29.276 -6.763 8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.106 -5.687 9.666 1.00 0.00 H new ATOM 352 N MET A 27 30.426 -4.173 7.661 1.00 0.00 N ATOM 353 CA MET A 27 31.453 -3.200 7.223 1.00 0.00 C ATOM 354 C MET A 27 31.161 -2.691 5.825 1.00 0.00 C ATOM 355 O MET A 27 30.455 -3.321 5.061 1.00 0.00 O ATOM 356 CB MET A 27 32.815 -3.898 7.201 1.00 0.00 C ATOM 357 CG MET A 27 32.769 -5.136 8.099 1.00 0.00 C ATOM 358 SD MET A 27 34.348 -5.909 8.530 1.00 0.00 S ATOM 359 CE MET A 27 33.750 -6.867 9.943 1.00 0.00 C ATOM 0 H MET A 27 30.609 -5.146 7.417 1.00 0.00 H new ATOM 0 HA MET A 27 31.449 -2.359 7.916 1.00 0.00 H new ATOM 0 HB2 MET A 27 33.072 -4.185 6.181 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.591 -3.215 7.545 1.00 0.00 H new ATOM 0 HG2 MET A 27 32.264 -4.862 9.025 1.00 0.00 H new ATOM 0 HG3 MET A 27 32.149 -5.886 7.608 1.00 0.00 H new ATOM 0 HE1 MET A 27 34.575 -7.434 10.374 1.00 0.00 H new ATOM 0 HE2 MET A 27 33.343 -6.191 10.695 1.00 0.00 H new ATOM 0 HE3 MET A 27 32.971 -7.554 9.613 1.00 0.00 H new ATOM 369 N ARG A 28 31.711 -1.556 5.514 1.00 0.00 N ATOM 370 CA ARG A 28 31.484 -0.984 4.178 1.00 0.00 C ATOM 371 C ARG A 28 32.551 0.058 3.846 1.00 0.00 C ATOM 372 O ARG A 28 33.401 0.362 4.659 1.00 0.00 O ATOM 373 CB ARG A 28 30.088 -0.332 4.173 1.00 0.00 C ATOM 374 CG ARG A 28 30.192 1.164 4.489 1.00 0.00 C ATOM 375 CD ARG A 28 28.798 1.695 4.834 1.00 0.00 C ATOM 376 NE ARG A 28 27.802 1.066 3.918 1.00 0.00 N ATOM 377 CZ ARG A 28 27.343 1.745 2.901 1.00 0.00 C ATOM 378 NH1 ARG A 28 28.168 2.489 2.213 1.00 0.00 N ATOM 379 NH2 ARG A 28 26.079 1.651 2.601 1.00 0.00 N ATOM 0 H ARG A 28 32.307 -1.005 6.132 1.00 0.00 H new ATOM 0 HA ARG A 28 31.543 -1.769 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 28 29.618 -0.472 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 28 29.449 -0.821 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 28 30.875 1.327 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 28 30.600 1.703 3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 28 28.553 1.466 5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 28 28.772 2.780 4.732 1.00 0.00 H new ATOM 0 HE ARG A 28 27.482 0.112 4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 28 29.153 2.533 2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 28 27.827 3.026 1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 28 25.466 1.055 3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 28 25.702 2.174 1.810 1.00 0.00 H new ATOM 393 N LEU A 29 32.482 0.587 2.657 1.00 0.00 N ATOM 394 CA LEU A 29 33.479 1.608 2.251 1.00 0.00 C ATOM 395 C LEU A 29 33.366 2.865 3.163 1.00 0.00 C ATOM 396 O LEU A 29 33.233 2.730 4.362 1.00 0.00 O ATOM 397 CB LEU A 29 33.203 1.941 0.755 1.00 0.00 C ATOM 398 CG LEU A 29 34.496 1.755 -0.061 1.00 0.00 C ATOM 399 CD1 LEU A 29 34.248 2.202 -1.502 1.00 0.00 C ATOM 400 CD2 LEU A 29 35.621 2.604 0.538 1.00 0.00 C ATOM 0 H LEU A 29 31.781 0.356 1.953 1.00 0.00 H new ATOM 0 HA LEU A 29 34.499 1.240 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 29 32.419 1.292 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 29 32.845 2.966 0.660 1.00 0.00 H new ATOM 0 HG LEU A 29 34.786 0.705 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 29 35.160 2.073 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 29 33.450 1.600 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 29 33.957 3.252 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 29 36.531 2.466 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 29 35.333 3.655 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 29 35.800 2.296 1.568 1.00 0.00 H new ATOM 412 N ASN A 30 33.424 4.052 2.597 1.00 0.00 N ATOM 413 CA ASN A 30 33.319 5.273 3.439 1.00 0.00 C ATOM 414 C ASN A 30 31.873 5.546 3.847 1.00 0.00 C ATOM 415 O ASN A 30 31.061 4.643 3.886 1.00 0.00 O ATOM 416 CB ASN A 30 33.813 6.469 2.609 1.00 0.00 C ATOM 417 CG ASN A 30 34.712 5.963 1.479 1.00 0.00 C ATOM 418 OD1 ASN A 30 35.834 5.553 1.699 1.00 0.00 O ATOM 419 ND2 ASN A 30 34.259 5.979 0.255 1.00 0.00 N ATOM 0 H ASN A 30 33.539 4.219 1.597 1.00 0.00 H new ATOM 0 HA ASN A 30 33.915 5.127 4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.965 7.016 2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 30 34.363 7.164 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 30 34.846 5.648 -0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 30 33.318 6.322 0.064 1.00 0.00 H new ATOM 426 N SER A 31 31.592 6.800 4.145 1.00 0.00 N ATOM 427 CA SER A 31 30.210 7.198 4.561 1.00 0.00 C ATOM 428 C SER A 31 29.142 6.326 3.910 1.00 0.00 C ATOM 429 O SER A 31 29.322 5.830 2.815 1.00 0.00 O ATOM 430 CB SER A 31 29.981 8.653 4.133 1.00 0.00 C ATOM 431 OG SER A 31 31.224 9.292 4.389 1.00 0.00 O ATOM 0 H SER A 31 32.267 7.564 4.116 1.00 0.00 H new ATOM 0 HA SER A 31 30.129 7.076 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.708 8.720 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 31 29.172 9.113 4.701 1.00 0.00 H new ATOM 0 HG SER A 31 31.164 10.237 4.138 1.00 0.00 H new ATOM 437 N CYS A 32 28.044 6.167 4.600 1.00 0.00 N ATOM 438 CA CYS A 32 26.943 5.332 4.053 1.00 0.00 C ATOM 439 C CYS A 32 25.851 6.192 3.426 1.00 0.00 C ATOM 440 O CYS A 32 26.049 7.364 3.169 1.00 0.00 O ATOM 441 CB CYS A 32 26.338 4.526 5.210 1.00 0.00 C ATOM 442 SG CYS A 32 27.363 4.304 6.684 1.00 0.00 S ATOM 0 H CYS A 32 27.865 6.579 5.516 1.00 0.00 H new ATOM 0 HA CYS A 32 27.345 4.678 3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 32 25.411 5.013 5.513 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.071 3.539 4.832 1.00 0.00 H new ATOM 447 N HIS A 33 24.714 5.584 3.197 1.00 0.00 N ATOM 448 CA HIS A 33 23.578 6.324 2.587 1.00 0.00 C ATOM 449 C HIS A 33 22.503 6.641 3.646 1.00 0.00 C ATOM 450 O HIS A 33 22.825 7.114 4.718 1.00 0.00 O ATOM 451 CB HIS A 33 23.000 5.430 1.474 1.00 0.00 C ATOM 452 CG HIS A 33 22.842 4.013 2.022 1.00 0.00 C ATOM 453 ND1 HIS A 33 22.946 3.701 3.230 1.00 0.00 N ATOM 454 CD2 HIS A 33 22.608 2.825 1.356 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.808 2.451 3.398 1.00 0.00 C ATOM 456 NE2 HIS A 33 22.587 1.808 2.254 1.00 0.00 N ATOM 0 H HIS A 33 24.527 4.604 3.409 1.00 0.00 H new ATOM 0 HA HIS A 33 23.915 7.277 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 33 22.037 5.816 1.140 1.00 0.00 H new ATOM 0 HB3 HIS A 33 23.661 5.429 0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 33 22.465 2.722 0.290 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.864 1.964 4.360 1.00 0.00 H new ATOM 0 HE2 HIS A 33 22.440 0.811 2.094 1.00 0.00 H new ATOM 464 N SER A 34 21.251 6.372 3.336 1.00 0.00 N ATOM 465 CA SER A 34 20.172 6.661 4.320 1.00 0.00 C ATOM 466 C SER A 34 19.715 5.407 5.052 1.00 0.00 C ATOM 467 O SER A 34 18.979 5.487 6.016 1.00 0.00 O ATOM 468 CB SER A 34 18.975 7.239 3.553 1.00 0.00 C ATOM 469 OG SER A 34 19.325 7.070 2.187 1.00 0.00 O ATOM 0 H SER A 34 20.940 5.969 2.452 1.00 0.00 H new ATOM 0 HA SER A 34 20.559 7.360 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.053 6.711 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.815 8.289 3.797 1.00 0.00 H new ATOM 0 HG SER A 34 18.605 7.416 1.620 1.00 0.00 H new ATOM 475 N ALA A 35 20.152 4.276 4.595 1.00 0.00 N ATOM 476 CA ALA A 35 19.736 3.020 5.269 1.00 0.00 C ATOM 477 C ALA A 35 20.575 2.760 6.520 1.00 0.00 C ATOM 478 O ALA A 35 20.696 1.637 6.963 1.00 0.00 O ATOM 479 CB ALA A 35 19.919 1.859 4.288 1.00 0.00 C ATOM 0 H ALA A 35 20.772 4.163 3.793 1.00 0.00 H new ATOM 0 HA ALA A 35 18.693 3.111 5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.618 0.927 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.303 2.029 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.966 1.793 3.993 1.00 0.00 H new ATOM 485 N CYS A 36 21.131 3.810 7.067 1.00 0.00 N ATOM 486 CA CYS A 36 21.962 3.662 8.281 1.00 0.00 C ATOM 487 C CYS A 36 22.239 5.033 8.880 1.00 0.00 C ATOM 488 O CYS A 36 23.039 5.790 8.369 1.00 0.00 O ATOM 489 CB CYS A 36 23.300 3.020 7.906 1.00 0.00 C ATOM 490 SG CYS A 36 23.305 1.268 7.463 1.00 0.00 S ATOM 0 H CYS A 36 21.040 4.764 6.718 1.00 0.00 H new ATOM 0 HA CYS A 36 21.432 3.039 9.001 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.715 3.578 7.066 1.00 0.00 H new ATOM 0 HB3 CYS A 36 23.982 3.154 8.746 1.00 0.00 H new ATOM 495 N LYS A 37 21.572 5.322 9.951 1.00 0.00 N ATOM 496 CA LYS A 37 21.775 6.640 10.607 1.00 0.00 C ATOM 497 C LYS A 37 22.999 6.617 11.494 1.00 0.00 C ATOM 498 O LYS A 37 23.860 7.468 11.401 1.00 0.00 O ATOM 499 CB LYS A 37 20.539 6.948 11.477 1.00 0.00 C ATOM 500 CG LYS A 37 19.797 8.171 10.921 1.00 0.00 C ATOM 501 CD LYS A 37 19.086 7.781 9.620 1.00 0.00 C ATOM 502 CE LYS A 37 18.224 8.954 9.148 1.00 0.00 C ATOM 503 NZ LYS A 37 17.056 9.139 10.054 1.00 0.00 N ATOM 0 H LYS A 37 20.895 4.707 10.403 1.00 0.00 H new ATOM 0 HA LYS A 37 21.914 7.401 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.873 6.085 11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.846 7.135 12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.073 8.534 11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.499 8.984 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.818 7.521 8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.466 6.899 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.821 9.866 9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.878 8.773 8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.326 9.698 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.666 8.210 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.360 9.638 10.914 1.00 0.00 H new ATOM 517 N SER A 38 23.052 5.644 12.334 1.00 0.00 N ATOM 518 CA SER A 38 24.210 5.533 13.249 1.00 0.00 C ATOM 519 C SER A 38 25.381 4.844 12.554 1.00 0.00 C ATOM 520 O SER A 38 25.742 3.737 12.878 1.00 0.00 O ATOM 521 CB SER A 38 23.787 4.706 14.470 1.00 0.00 C ATOM 522 OG SER A 38 22.952 5.587 15.209 1.00 0.00 O ATOM 0 H SER A 38 22.345 4.915 12.432 1.00 0.00 H new ATOM 0 HA SER A 38 24.527 6.531 13.552 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.252 3.803 14.175 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.650 4.389 15.056 1.00 0.00 H new ATOM 0 HG SER A 38 22.631 5.133 16.016 1.00 0.00 H new ATOM 528 N CYS A 39 25.939 5.515 11.597 1.00 0.00 N ATOM 529 CA CYS A 39 27.076 4.936 10.865 1.00 0.00 C ATOM 530 C CYS A 39 28.407 5.349 11.484 1.00 0.00 C ATOM 531 O CYS A 39 28.651 6.515 11.727 1.00 0.00 O ATOM 532 CB CYS A 39 27.046 5.487 9.446 1.00 0.00 C ATOM 533 SG CYS A 39 26.083 4.589 8.214 1.00 0.00 S ATOM 0 H CYS A 39 25.652 6.445 11.291 1.00 0.00 H new ATOM 0 HA CYS A 39 26.991 3.850 10.895 1.00 0.00 H new ATOM 0 HB2 CYS A 39 26.664 6.507 9.491 1.00 0.00 H new ATOM 0 HB3 CYS A 39 28.074 5.547 9.089 1.00 0.00 H new ATOM 538 N ILE A 40 29.239 4.384 11.724 1.00 0.00 N ATOM 539 CA ILE A 40 30.565 4.685 12.322 1.00 0.00 C ATOM 540 C ILE A 40 31.559 4.838 11.188 1.00 0.00 C ATOM 541 O ILE A 40 31.357 4.265 10.139 1.00 0.00 O ATOM 542 CB ILE A 40 30.999 3.492 13.196 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.814 2.984 14.022 1.00 0.00 C ATOM 544 CG2 ILE A 40 32.145 3.935 14.150 1.00 0.00 C ATOM 545 CD1 ILE A 40 29.084 4.164 14.670 1.00 0.00 C ATOM 0 H ILE A 40 29.061 3.398 11.533 1.00 0.00 H new ATOM 0 HA ILE A 40 30.519 5.591 12.926 1.00 0.00 H new ATOM 0 HB ILE A 40 31.351 2.689 12.549 1.00 0.00 H new ATOM 0 HG12 ILE A 40 29.128 2.427 13.384 1.00 0.00 H new ATOM 0 HG13 ILE A 40 30.164 2.296 14.791 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.451 3.091 14.768 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.995 4.281 13.562 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.793 4.744 14.790 1.00 0.00 H new ATOM 0 HD11 ILE A 40 28.242 3.794 15.256 1.00 0.00 H new ATOM 0 HD12 ILE A 40 29.771 4.703 15.322 1.00 0.00 H new ATOM 0 HD13 ILE A 40 28.718 4.836 13.894 1.00 0.00 H new ATOM 557 N CYS A 41 32.609 5.596 11.378 1.00 0.00 N ATOM 558 CA CYS A 41 33.559 5.723 10.247 1.00 0.00 C ATOM 559 C CYS A 41 34.977 6.021 10.650 1.00 0.00 C ATOM 560 O CYS A 41 35.251 6.803 11.540 1.00 0.00 O ATOM 561 CB CYS A 41 33.088 6.830 9.309 1.00 0.00 C ATOM 562 SG CYS A 41 32.761 6.374 7.584 1.00 0.00 S ATOM 0 H CYS A 41 32.839 6.109 12.229 1.00 0.00 H new ATOM 0 HA CYS A 41 33.567 4.747 9.762 1.00 0.00 H new ATOM 0 HB2 CYS A 41 32.175 7.258 9.724 1.00 0.00 H new ATOM 0 HB3 CYS A 41 33.841 7.619 9.313 1.00 0.00 H new ATOM 567 N ALA A 42 35.852 5.358 9.956 1.00 0.00 N ATOM 568 CA ALA A 42 37.293 5.517 10.199 1.00 0.00 C ATOM 569 C ALA A 42 37.883 6.399 9.111 1.00 0.00 C ATOM 570 O ALA A 42 37.943 5.998 7.948 1.00 0.00 O ATOM 571 CB ALA A 42 37.960 4.134 10.143 1.00 0.00 C ATOM 0 H ALA A 42 35.616 4.699 9.215 1.00 0.00 H new ATOM 0 HA ALA A 42 37.461 5.972 11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 42 39.030 4.239 10.322 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.526 3.489 10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.798 3.691 9.160 1.00 0.00 H new ATOM 577 N LEU A 43 38.288 7.581 9.490 1.00 0.00 N ATOM 578 CA LEU A 43 38.875 8.508 8.495 1.00 0.00 C ATOM 579 C LEU A 43 40.159 7.938 7.912 1.00 0.00 C ATOM 580 O LEU A 43 41.204 7.986 8.531 1.00 0.00 O ATOM 581 CB LEU A 43 39.194 9.835 9.200 1.00 0.00 C ATOM 582 CG LEU A 43 37.883 10.524 9.598 1.00 0.00 C ATOM 583 CD1 LEU A 43 37.859 10.726 11.114 1.00 0.00 C ATOM 584 CD2 LEU A 43 37.800 11.888 8.906 1.00 0.00 C ATOM 0 H LEU A 43 38.236 7.939 10.444 1.00 0.00 H new ATOM 0 HA LEU A 43 38.163 8.657 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 43 39.806 9.653 10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 43 39.772 10.481 8.540 1.00 0.00 H new ATOM 0 HG LEU A 43 37.037 9.906 9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 43 36.928 11.216 11.401 1.00 0.00 H new ATOM 0 HD12 LEU A 43 37.928 9.758 11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 43 38.703 11.348 11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 43 36.869 12.382 9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 43 38.645 12.504 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 43 37.827 11.750 7.825 1.00 0.00 H new ATOM 596 N SER A 44 40.053 7.409 6.727 1.00 0.00 N ATOM 597 CA SER A 44 41.249 6.828 6.075 1.00 0.00 C ATOM 598 C SER A 44 41.054 6.775 4.565 1.00 0.00 C ATOM 599 O SER A 44 40.051 7.232 4.053 1.00 0.00 O ATOM 600 CB SER A 44 41.445 5.399 6.604 1.00 0.00 C ATOM 601 OG SER A 44 41.063 5.478 7.969 1.00 0.00 O ATOM 0 H SER A 44 39.190 7.355 6.185 1.00 0.00 H new ATOM 0 HA SER A 44 42.120 7.445 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 44 40.829 4.684 6.059 1.00 0.00 H new ATOM 0 HB3 SER A 44 42.480 5.073 6.498 1.00 0.00 H new ATOM 0 HG SER A 44 41.158 4.597 8.387 1.00 0.00 H new ATOM 607 N TYR A 45 42.017 6.220 3.879 1.00 0.00 N ATOM 608 CA TYR A 45 41.904 6.128 2.401 1.00 0.00 C ATOM 609 C TYR A 45 42.552 4.815 1.887 1.00 0.00 C ATOM 610 O TYR A 45 43.761 4.692 1.918 1.00 0.00 O ATOM 611 CB TYR A 45 42.673 7.315 1.794 1.00 0.00 C ATOM 612 CG TYR A 45 41.878 7.868 0.609 1.00 0.00 C ATOM 613 CD1 TYR A 45 40.806 8.713 0.816 1.00 0.00 C ATOM 614 CD2 TYR A 45 42.214 7.519 -0.685 1.00 0.00 C ATOM 615 CE1 TYR A 45 40.081 9.200 -0.252 1.00 0.00 C ATOM 616 CE2 TYR A 45 41.488 8.007 -1.753 1.00 0.00 C ATOM 617 CZ TYR A 45 40.416 8.851 -1.545 1.00 0.00 C ATOM 618 OH TYR A 45 39.687 9.336 -2.611 1.00 0.00 O ATOM 0 H TYR A 45 42.871 5.830 4.278 1.00 0.00 H new ATOM 0 HA TYR A 45 40.852 6.142 2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 45 42.820 8.092 2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 45 43.663 6.995 1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 45 40.533 8.995 1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 45 43.051 6.860 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 45 39.244 9.860 -0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 45 41.761 7.726 -2.759 1.00 0.00 H new ATOM 0 HH TYR A 45 40.062 8.990 -3.448 1.00 0.00 H new ATOM 628 N PRO A 46 41.754 3.835 1.419 1.00 0.00 N ATOM 629 CA PRO A 46 40.273 3.898 1.342 1.00 0.00 C ATOM 630 C PRO A 46 39.630 4.016 2.726 1.00 0.00 C ATOM 631 O PRO A 46 39.990 3.303 3.642 1.00 0.00 O ATOM 632 CB PRO A 46 39.858 2.549 0.711 1.00 0.00 C ATOM 633 CG PRO A 46 41.150 1.718 0.476 1.00 0.00 C ATOM 634 CD PRO A 46 42.338 2.575 0.936 1.00 0.00 C ATOM 0 HA PRO A 46 39.951 4.770 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 46 39.174 2.014 1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 46 39.333 2.713 -0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 46 41.112 0.783 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 46 41.251 1.456 -0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 46 42.899 2.075 1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 46 43.033 2.754 0.116 1.00 0.00 H new ATOM 642 N ALA A 47 38.689 4.917 2.853 1.00 0.00 N ATOM 643 CA ALA A 47 38.017 5.089 4.167 1.00 0.00 C ATOM 644 C ALA A 47 37.110 3.910 4.438 1.00 0.00 C ATOM 645 O ALA A 47 36.758 3.184 3.530 1.00 0.00 O ATOM 646 CB ALA A 47 37.160 6.358 4.115 1.00 0.00 C ATOM 0 H ALA A 47 38.362 5.533 2.109 1.00 0.00 H new ATOM 0 HA ALA A 47 38.769 5.161 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.660 6.499 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.796 7.219 3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 47 36.414 6.261 3.327 1.00 0.00 H new ATOM 652 N GLN A 48 36.747 3.731 5.683 1.00 0.00 N ATOM 653 CA GLN A 48 35.851 2.579 6.016 1.00 0.00 C ATOM 654 C GLN A 48 34.721 3.006 6.935 1.00 0.00 C ATOM 655 O GLN A 48 34.896 3.870 7.773 1.00 0.00 O ATOM 656 CB GLN A 48 36.683 1.503 6.725 1.00 0.00 C ATOM 657 CG GLN A 48 37.086 0.433 5.707 1.00 0.00 C ATOM 658 CD GLN A 48 38.244 -0.394 6.268 1.00 0.00 C ATOM 659 OE1 GLN A 48 38.777 -0.104 7.321 1.00 0.00 O ATOM 660 NE2 GLN A 48 38.663 -1.433 5.597 1.00 0.00 N ATOM 0 H GLN A 48 37.024 4.318 6.469 1.00 0.00 H new ATOM 0 HA GLN A 48 35.417 2.197 5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.571 1.949 7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 48 36.107 1.055 7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 48 36.236 -0.213 5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 48 37.381 0.902 4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 48 38.220 -1.682 4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 48 39.433 -1.996 5.957 1.00 0.00 H new ATOM 669 N CYS A 49 33.572 2.394 6.757 1.00 0.00 N ATOM 670 CA CYS A 49 32.415 2.756 7.620 1.00 0.00 C ATOM 671 C CYS A 49 31.621 1.537 8.054 1.00 0.00 C ATOM 672 O CYS A 49 31.621 0.514 7.399 1.00 0.00 O ATOM 673 CB CYS A 49 31.497 3.716 6.851 1.00 0.00 C ATOM 674 SG CYS A 49 31.065 5.280 7.661 1.00 0.00 S ATOM 0 H CYS A 49 33.393 1.671 6.060 1.00 0.00 H new ATOM 0 HA CYS A 49 32.804 3.232 8.520 1.00 0.00 H new ATOM 0 HB2 CYS A 49 31.974 3.949 5.899 1.00 0.00 H new ATOM 0 HB3 CYS A 49 30.572 3.187 6.622 1.00 0.00 H new ATOM 679 N PHE A 50 30.961 1.688 9.171 1.00 0.00 N ATOM 680 CA PHE A 50 30.143 0.583 9.721 1.00 0.00 C ATOM 681 C PHE A 50 28.727 1.060 10.004 1.00 0.00 C ATOM 682 O PHE A 50 28.496 2.235 10.164 1.00 0.00 O ATOM 683 CB PHE A 50 30.778 0.169 11.054 1.00 0.00 C ATOM 684 CG PHE A 50 30.973 -1.343 11.103 1.00 0.00 C ATOM 685 CD1 PHE A 50 29.888 -2.186 11.256 1.00 0.00 C ATOM 686 CD2 PHE A 50 32.245 -1.884 11.052 1.00 0.00 C ATOM 687 CE1 PHE A 50 30.075 -3.549 11.366 1.00 0.00 C ATOM 688 CE2 PHE A 50 32.428 -3.247 11.161 1.00 0.00 C ATOM 689 CZ PHE A 50 31.346 -4.077 11.318 1.00 0.00 C ATOM 0 H PHE A 50 30.958 2.542 9.728 1.00 0.00 H new ATOM 0 HA PHE A 50 30.106 -0.241 9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.738 0.670 11.178 1.00 0.00 H new ATOM 0 HB3 PHE A 50 30.143 0.487 11.881 1.00 0.00 H new ATOM 0 HD1 PHE A 50 28.889 -1.776 11.290 1.00 0.00 H new ATOM 0 HD2 PHE A 50 33.100 -1.236 10.926 1.00 0.00 H new ATOM 0 HE1 PHE A 50 29.224 -4.202 11.490 1.00 0.00 H new ATOM 0 HE2 PHE A 50 33.424 -3.662 11.123 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.491 -5.144 11.404 1.00 0.00 H new ATOM 699 N CYS A 51 27.808 0.134 10.049 1.00 0.00 N ATOM 700 CA CYS A 51 26.388 0.500 10.323 1.00 0.00 C ATOM 701 C CYS A 51 25.881 -0.265 11.537 1.00 0.00 C ATOM 702 O CYS A 51 25.698 -1.464 11.470 1.00 0.00 O ATOM 703 CB CYS A 51 25.553 0.078 9.112 1.00 0.00 C ATOM 704 SG CYS A 51 23.765 0.340 9.197 1.00 0.00 S ATOM 0 H CYS A 51 27.979 -0.862 9.908 1.00 0.00 H new ATOM 0 HA CYS A 51 26.312 1.571 10.509 1.00 0.00 H new ATOM 0 HB2 CYS A 51 25.930 0.613 8.241 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.729 -0.983 8.935 1.00 0.00 H new ATOM 709 N VAL A 52 25.654 0.428 12.631 1.00 0.00 N ATOM 710 CA VAL A 52 25.155 -0.299 13.838 1.00 0.00 C ATOM 711 C VAL A 52 23.633 -0.294 13.875 1.00 0.00 C ATOM 712 O VAL A 52 23.031 -0.811 14.795 1.00 0.00 O ATOM 713 CB VAL A 52 25.695 0.380 15.111 1.00 0.00 C ATOM 714 CG1 VAL A 52 27.089 -0.169 15.427 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.787 1.875 14.878 1.00 0.00 C ATOM 0 H VAL A 52 25.788 1.434 12.738 1.00 0.00 H new ATOM 0 HA VAL A 52 25.505 -1.330 13.790 1.00 0.00 H new ATOM 0 HB VAL A 52 25.025 0.178 15.947 1.00 0.00 H new ATOM 0 HG11 VAL A 52 27.473 0.310 16.328 1.00 0.00 H new ATOM 0 HG12 VAL A 52 27.029 -1.246 15.586 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.759 0.037 14.592 1.00 0.00 H new ATOM 0 HG21 VAL A 52 26.169 2.360 15.776 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.461 2.073 14.044 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.797 2.269 14.646 1.00 0.00 H new ATOM 725 N ASP A 53 23.033 0.295 12.869 1.00 0.00 N ATOM 726 CA ASP A 53 21.551 0.337 12.834 1.00 0.00 C ATOM 727 C ASP A 53 21.001 -0.963 12.270 1.00 0.00 C ATOM 728 O ASP A 53 21.507 -1.480 11.294 1.00 0.00 O ATOM 729 CB ASP A 53 21.122 1.495 11.929 1.00 0.00 C ATOM 730 CG ASP A 53 19.646 1.815 12.181 1.00 0.00 C ATOM 731 OD1 ASP A 53 19.408 2.582 13.099 1.00 0.00 O ATOM 732 OD2 ASP A 53 18.842 1.273 11.442 1.00 0.00 O ATOM 0 H ASP A 53 23.505 0.742 12.083 1.00 0.00 H new ATOM 0 HA ASP A 53 21.166 0.474 13.845 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.735 2.374 12.128 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.275 1.230 10.883 1.00 0.00 H new ATOM 737 N ILE A 54 19.970 -1.466 12.893 1.00 0.00 N ATOM 738 CA ILE A 54 19.367 -2.728 12.420 1.00 0.00 C ATOM 739 C ILE A 54 18.064 -2.491 11.685 1.00 0.00 C ATOM 740 O ILE A 54 17.526 -1.400 11.680 1.00 0.00 O ATOM 741 CB ILE A 54 19.059 -3.610 13.636 1.00 0.00 C ATOM 742 CG1 ILE A 54 18.759 -2.760 14.866 1.00 0.00 C ATOM 743 CG2 ILE A 54 20.273 -4.494 13.938 1.00 0.00 C ATOM 744 CD1 ILE A 54 17.530 -1.895 14.588 1.00 0.00 C ATOM 0 H ILE A 54 19.524 -1.051 13.711 1.00 0.00 H new ATOM 0 HA ILE A 54 20.075 -3.201 11.739 1.00 0.00 H new ATOM 0 HB ILE A 54 18.185 -4.219 13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.581 -3.399 15.731 1.00 0.00 H new ATOM 0 HG13 ILE A 54 19.616 -2.130 15.106 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.059 -5.123 14.802 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.488 -5.124 13.075 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.137 -3.865 14.152 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.309 -1.284 15.463 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.727 -1.247 13.734 1.00 0.00 H new ATOM 0 HD13 ILE A 54 16.676 -2.536 14.368 1.00 0.00 H new ATOM 756 N THR A 55 17.591 -3.534 11.074 1.00 0.00 N ATOM 757 CA THR A 55 16.325 -3.446 10.318 1.00 0.00 C ATOM 758 C THR A 55 15.486 -4.696 10.571 1.00 0.00 C ATOM 759 O THR A 55 15.739 -5.424 11.517 1.00 0.00 O ATOM 760 CB THR A 55 16.653 -3.349 8.826 1.00 0.00 C ATOM 761 OG1 THR A 55 15.417 -3.099 8.193 1.00 0.00 O ATOM 762 CG2 THR A 55 17.106 -4.706 8.272 1.00 0.00 C ATOM 0 H THR A 55 18.034 -4.453 11.068 1.00 0.00 H new ATOM 0 HA THR A 55 15.763 -2.568 10.638 1.00 0.00 H new ATOM 0 HB THR A 55 17.427 -2.599 8.665 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.444 -3.442 7.275 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.333 -4.608 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.998 -5.037 8.804 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.310 -5.438 8.407 1.00 0.00 H new ATOM 770 N ASP A 56 14.510 -4.926 9.721 1.00 0.00 N ATOM 771 CA ASP A 56 13.644 -6.126 9.899 1.00 0.00 C ATOM 772 C ASP A 56 13.501 -6.912 8.598 1.00 0.00 C ATOM 773 O ASP A 56 12.411 -7.308 8.231 1.00 0.00 O ATOM 774 CB ASP A 56 12.253 -5.650 10.332 1.00 0.00 C ATOM 775 CG ASP A 56 12.395 -4.590 11.427 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.712 -4.994 12.534 1.00 0.00 O ATOM 777 OD2 ASP A 56 12.176 -3.436 11.095 1.00 0.00 O ATOM 0 H ASP A 56 14.281 -4.337 8.920 1.00 0.00 H new ATOM 0 HA ASP A 56 14.099 -6.777 10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.716 -5.237 9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.667 -6.492 10.700 1.00 0.00 H new ATOM 782 N PHE A 57 14.597 -7.127 7.926 1.00 0.00 N ATOM 783 CA PHE A 57 14.523 -7.893 6.645 1.00 0.00 C ATOM 784 C PHE A 57 15.907 -8.168 6.038 1.00 0.00 C ATOM 785 O PHE A 57 16.027 -8.941 5.108 1.00 0.00 O ATOM 786 CB PHE A 57 13.684 -7.096 5.635 1.00 0.00 C ATOM 787 CG PHE A 57 14.079 -5.619 5.671 1.00 0.00 C ATOM 788 CD1 PHE A 57 15.275 -5.196 5.118 1.00 0.00 C ATOM 789 CD2 PHE A 57 13.230 -4.679 6.232 1.00 0.00 C ATOM 790 CE1 PHE A 57 15.614 -3.858 5.123 1.00 0.00 C ATOM 791 CE2 PHE A 57 13.571 -3.343 6.236 1.00 0.00 C ATOM 792 CZ PHE A 57 14.762 -2.933 5.682 1.00 0.00 C ATOM 0 H PHE A 57 15.528 -6.813 8.200 1.00 0.00 H new ATOM 0 HA PHE A 57 14.066 -8.857 6.866 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.833 -7.496 4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.624 -7.203 5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.948 -5.918 4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.294 -4.995 6.669 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.549 -3.537 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 57 12.902 -2.617 6.675 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.028 -1.886 5.686 1.00 0.00 H new ATOM 802 N CYS A 58 16.924 -7.541 6.566 1.00 0.00 N ATOM 803 CA CYS A 58 18.288 -7.769 6.020 1.00 0.00 C ATOM 804 C CYS A 58 18.317 -7.548 4.514 1.00 0.00 C ATOM 805 O CYS A 58 17.933 -8.407 3.746 1.00 0.00 O ATOM 806 CB CYS A 58 18.705 -9.222 6.312 1.00 0.00 C ATOM 807 SG CYS A 58 19.999 -9.486 7.547 1.00 0.00 S ATOM 0 H CYS A 58 16.868 -6.886 7.346 1.00 0.00 H new ATOM 0 HA CYS A 58 18.973 -7.065 6.492 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.818 -9.769 6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.036 -9.672 5.376 1.00 0.00 H new ATOM 812 N TYR A 59 18.767 -6.396 4.125 1.00 0.00 N ATOM 813 CA TYR A 59 18.834 -6.088 2.675 1.00 0.00 C ATOM 814 C TYR A 59 19.400 -7.275 1.894 1.00 0.00 C ATOM 815 O TYR A 59 20.087 -8.112 2.443 1.00 0.00 O ATOM 816 CB TYR A 59 19.750 -4.864 2.461 1.00 0.00 C ATOM 817 CG TYR A 59 19.556 -3.865 3.618 1.00 0.00 C ATOM 818 CD1 TYR A 59 20.187 -4.044 4.840 1.00 0.00 C ATOM 819 CD2 TYR A 59 18.751 -2.759 3.445 1.00 0.00 C ATOM 820 CE1 TYR A 59 20.013 -3.127 5.857 1.00 0.00 C ATOM 821 CE2 TYR A 59 18.579 -1.846 4.465 1.00 0.00 C ATOM 822 CZ TYR A 59 19.207 -2.024 5.677 1.00 0.00 C ATOM 823 OH TYR A 59 19.032 -1.111 6.697 1.00 0.00 O ATOM 0 H TYR A 59 19.091 -5.654 4.745 1.00 0.00 H new ATOM 0 HA TYR A 59 17.827 -5.879 2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 59 20.792 -5.181 2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.517 -4.385 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.818 -4.906 4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.250 -2.606 2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.513 -3.275 6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.946 -0.984 4.311 1.00 0.00 H new ATOM 0 HH TYR A 59 19.634 -0.350 6.562 1.00 0.00 H new ATOM 833 N GLU A 60 19.094 -7.324 0.624 1.00 0.00 N ATOM 834 CA GLU A 60 19.602 -8.446 -0.215 1.00 0.00 C ATOM 835 C GLU A 60 21.104 -8.255 -0.539 1.00 0.00 C ATOM 836 O GLU A 60 21.575 -7.138 -0.618 1.00 0.00 O ATOM 837 CB GLU A 60 18.802 -8.428 -1.533 1.00 0.00 C ATOM 838 CG GLU A 60 17.327 -8.703 -1.233 1.00 0.00 C ATOM 839 CD GLU A 60 17.173 -10.135 -0.720 1.00 0.00 C ATOM 840 OE1 GLU A 60 17.689 -11.011 -1.394 1.00 0.00 O ATOM 841 OE2 GLU A 60 16.546 -10.273 0.318 1.00 0.00 O ATOM 0 H GLU A 60 18.518 -6.639 0.135 1.00 0.00 H new ATOM 0 HA GLU A 60 19.485 -9.390 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.911 -7.461 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.192 -9.180 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.958 -7.997 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.729 -8.561 -2.133 1.00 0.00 H new ATOM 848 N PRO A 61 21.843 -9.359 -0.727 1.00 0.00 N ATOM 849 CA PRO A 61 23.274 -9.268 -1.041 1.00 0.00 C ATOM 850 C PRO A 61 23.529 -8.311 -2.192 1.00 0.00 C ATOM 851 O PRO A 61 22.619 -7.919 -2.893 1.00 0.00 O ATOM 852 CB PRO A 61 23.682 -10.697 -1.448 1.00 0.00 C ATOM 853 CG PRO A 61 22.469 -11.627 -1.158 1.00 0.00 C ATOM 854 CD PRO A 61 21.318 -10.739 -0.655 1.00 0.00 C ATOM 0 HA PRO A 61 23.844 -8.891 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.950 -10.734 -2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.557 -11.021 -0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 61 22.173 -12.164 -2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.730 -12.377 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.429 -10.856 -1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 61 21.033 -11.001 0.364 1.00 0.00 H new ATOM 862 N CYS A 62 24.768 -7.954 -2.365 1.00 0.00 N ATOM 863 CA CYS A 62 25.103 -7.022 -3.463 1.00 0.00 C ATOM 864 C CYS A 62 25.337 -7.743 -4.767 1.00 0.00 C ATOM 865 O CYS A 62 25.789 -8.872 -4.800 1.00 0.00 O ATOM 866 CB CYS A 62 26.378 -6.250 -3.098 1.00 0.00 C ATOM 867 SG CYS A 62 26.287 -4.441 -3.126 1.00 0.00 S ATOM 0 H CYS A 62 25.555 -8.266 -1.797 1.00 0.00 H new ATOM 0 HA CYS A 62 24.257 -6.347 -3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 62 26.684 -6.557 -2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 62 27.168 -6.559 -3.783 1.00 0.00 H new ATOM 872 N LYS A 63 25.015 -7.057 -5.817 1.00 0.00 N ATOM 873 CA LYS A 63 25.187 -7.627 -7.180 1.00 0.00 C ATOM 874 C LYS A 63 26.096 -6.721 -8.035 1.00 0.00 C ATOM 875 O LYS A 63 25.606 -5.891 -8.775 1.00 0.00 O ATOM 876 CB LYS A 63 23.803 -7.675 -7.840 1.00 0.00 C ATOM 877 CG LYS A 63 23.089 -8.958 -7.408 1.00 0.00 C ATOM 878 CD LYS A 63 21.581 -8.787 -7.603 1.00 0.00 C ATOM 879 CE LYS A 63 20.958 -10.149 -7.921 1.00 0.00 C ATOM 880 NZ LYS A 63 21.516 -11.205 -7.030 1.00 0.00 N ATOM 0 H LYS A 63 24.634 -6.111 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 63 25.638 -8.617 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 63 23.217 -6.803 -7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 63 23.902 -7.646 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 63 23.450 -9.804 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.310 -9.177 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.131 -8.369 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.384 -8.085 -8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.876 -10.097 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 63 21.149 -10.407 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.813 -11.961 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.377 -11.601 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.748 -10.791 -6.105 1.00 0.00 H new ATOM 894 N PRO A 64 27.413 -6.891 -7.922 1.00 0.00 N ATOM 895 CA PRO A 64 28.348 -6.069 -8.698 1.00 0.00 C ATOM 896 C PRO A 64 28.120 -6.217 -10.197 1.00 0.00 C ATOM 897 O PRO A 64 27.777 -7.279 -10.675 1.00 0.00 O ATOM 898 CB PRO A 64 29.748 -6.595 -8.320 1.00 0.00 C ATOM 899 CG PRO A 64 29.559 -7.655 -7.196 1.00 0.00 C ATOM 900 CD PRO A 64 28.049 -7.894 -7.044 1.00 0.00 C ATOM 0 HA PRO A 64 28.220 -5.010 -8.475 1.00 0.00 H new ATOM 0 HB2 PRO A 64 30.239 -7.038 -9.187 1.00 0.00 H new ATOM 0 HB3 PRO A 64 30.384 -5.780 -7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 64 30.071 -8.582 -7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 64 29.989 -7.302 -6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.778 -8.907 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 64 27.732 -7.770 -6.009 1.00 0.00 H new ATOM 908 N SER A 65 28.319 -5.139 -10.913 1.00 0.00 N ATOM 909 CA SER A 65 28.120 -5.188 -12.385 1.00 0.00 C ATOM 910 C SER A 65 29.436 -5.421 -13.120 1.00 0.00 C ATOM 911 O SER A 65 29.450 -5.630 -14.316 1.00 0.00 O ATOM 912 CB SER A 65 27.538 -3.839 -12.833 1.00 0.00 C ATOM 913 OG SER A 65 28.087 -2.904 -11.916 1.00 0.00 O ATOM 0 H SER A 65 28.609 -4.235 -10.541 1.00 0.00 H new ATOM 0 HA SER A 65 27.448 -6.013 -12.621 1.00 0.00 H new ATOM 0 HB2 SER A 65 27.820 -3.604 -13.859 1.00 0.00 H new ATOM 0 HB3 SER A 65 26.449 -3.842 -12.795 1.00 0.00 H new ATOM 0 HG SER A 65 29.064 -2.979 -11.918 1.00 0.00 H new ATOM 919 N GLU A 66 30.517 -5.380 -12.395 1.00 0.00 N ATOM 920 CA GLU A 66 31.835 -5.599 -13.047 1.00 0.00 C ATOM 921 C GLU A 66 32.035 -7.074 -13.376 1.00 0.00 C ATOM 922 O GLU A 66 32.648 -7.803 -12.622 1.00 0.00 O ATOM 923 CB GLU A 66 32.943 -5.152 -12.082 1.00 0.00 C ATOM 924 CG GLU A 66 32.644 -5.693 -10.684 1.00 0.00 C ATOM 925 CD GLU A 66 32.123 -4.555 -9.805 1.00 0.00 C ATOM 926 OE1 GLU A 66 31.054 -4.067 -10.130 1.00 0.00 O ATOM 927 OE2 GLU A 66 32.825 -4.237 -8.860 1.00 0.00 O ATOM 0 H GLU A 66 30.546 -5.206 -11.390 1.00 0.00 H new ATOM 0 HA GLU A 66 31.872 -5.024 -13.972 1.00 0.00 H new ATOM 0 HB2 GLU A 66 33.910 -5.517 -12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 66 33.003 -4.064 -12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.905 -6.492 -10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 66 33.545 -6.123 -10.247 1.00 0.00 H new ATOM 934 N ASP A 67 31.514 -7.487 -14.500 1.00 0.00 N ATOM 935 CA ASP A 67 31.664 -8.911 -14.895 1.00 0.00 C ATOM 936 C ASP A 67 33.107 -9.215 -15.281 1.00 0.00 C ATOM 937 O ASP A 67 33.519 -10.357 -15.302 1.00 0.00 O ATOM 938 CB ASP A 67 30.761 -9.174 -16.110 1.00 0.00 C ATOM 939 CG ASP A 67 29.617 -10.106 -15.699 1.00 0.00 C ATOM 940 OD1 ASP A 67 29.928 -11.252 -15.417 1.00 0.00 O ATOM 941 OD2 ASP A 67 28.500 -9.619 -15.690 1.00 0.00 O ATOM 0 H ASP A 67 30.995 -6.902 -15.155 1.00 0.00 H new ATOM 0 HA ASP A 67 31.385 -9.546 -14.054 1.00 0.00 H new ATOM 0 HB2 ASP A 67 30.361 -8.234 -16.490 1.00 0.00 H new ATOM 0 HB3 ASP A 67 31.340 -9.624 -16.917 1.00 0.00 H new ATOM 946 N ASP A 68 33.849 -8.184 -15.582 1.00 0.00 N ATOM 947 CA ASP A 68 35.267 -8.395 -15.968 1.00 0.00 C ATOM 948 C ASP A 68 36.144 -8.567 -14.734 1.00 0.00 C ATOM 949 O ASP A 68 37.241 -8.048 -14.673 1.00 0.00 O ATOM 950 CB ASP A 68 35.744 -7.162 -16.749 1.00 0.00 C ATOM 951 CG ASP A 68 36.842 -7.582 -17.729 1.00 0.00 C ATOM 952 OD1 ASP A 68 37.960 -7.726 -17.261 1.00 0.00 O ATOM 953 OD2 ASP A 68 36.501 -7.736 -18.890 1.00 0.00 O ATOM 0 H ASP A 68 33.535 -7.214 -15.577 1.00 0.00 H new ATOM 0 HA ASP A 68 35.342 -9.297 -16.576 1.00 0.00 H new ATOM 0 HB2 ASP A 68 34.910 -6.713 -17.289 1.00 0.00 H new ATOM 0 HB3 ASP A 68 36.123 -6.405 -16.062 1.00 0.00 H new ATOM 958 N LYS A 69 35.641 -9.294 -13.773 1.00 0.00 N ATOM 959 CA LYS A 69 36.425 -9.516 -12.531 1.00 0.00 C ATOM 960 C LYS A 69 36.243 -10.944 -12.029 1.00 0.00 C ATOM 961 O LYS A 69 36.970 -11.400 -11.167 1.00 0.00 O ATOM 962 CB LYS A 69 35.910 -8.544 -11.457 1.00 0.00 C ATOM 963 CG LYS A 69 37.077 -8.085 -10.579 1.00 0.00 C ATOM 964 CD LYS A 69 36.564 -7.057 -9.569 1.00 0.00 C ATOM 965 CE LYS A 69 37.631 -6.826 -8.497 1.00 0.00 C ATOM 966 NZ LYS A 69 37.824 -5.367 -8.260 1.00 0.00 N ATOM 0 H LYS A 69 34.724 -9.741 -13.797 1.00 0.00 H new ATOM 0 HA LYS A 69 37.482 -9.349 -12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 69 35.436 -7.683 -11.928 1.00 0.00 H new ATOM 0 HB3 LYS A 69 35.151 -9.031 -10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 69 37.516 -8.937 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 69 37.863 -7.648 -11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 69 36.330 -6.120 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 69 35.641 -7.411 -9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 69 37.335 -7.315 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 69 38.573 -7.278 -8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 38.551 -5.227 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 38.127 -4.909 -9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 36.928 -4.946 -7.941 1.00 0.00 H new ATOM 980 N GLU A 70 35.275 -11.626 -12.579 1.00 0.00 N ATOM 981 CA GLU A 70 35.030 -13.024 -12.147 1.00 0.00 C ATOM 982 C GLU A 70 34.990 -13.124 -10.628 1.00 0.00 C ATOM 983 O GLU A 70 34.986 -12.123 -9.935 1.00 0.00 O ATOM 984 CB GLU A 70 36.183 -13.899 -12.673 1.00 0.00 C ATOM 985 CG GLU A 70 35.636 -14.948 -13.652 1.00 0.00 C ATOM 986 CD GLU A 70 35.179 -14.261 -14.946 1.00 0.00 C ATOM 987 OE1 GLU A 70 34.535 -13.233 -14.820 1.00 0.00 O ATOM 988 OE2 GLU A 70 35.500 -14.806 -15.989 1.00 0.00 O ATOM 0 H GLU A 70 34.649 -11.275 -13.304 1.00 0.00 H new ATOM 0 HA GLU A 70 34.070 -13.358 -12.541 1.00 0.00 H new ATOM 0 HB2 GLU A 70 36.926 -13.276 -13.171 1.00 0.00 H new ATOM 0 HB3 GLU A 70 36.686 -14.392 -11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.405 -15.688 -13.874 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.801 -15.482 -13.198 1.00 0.00 H new ATOM 995 N ASN A 71 34.960 -14.330 -10.134 1.00 0.00 N ATOM 996 CA ASN A 71 34.920 -14.516 -8.664 1.00 0.00 C ATOM 997 C ASN A 71 35.635 -15.800 -8.261 1.00 0.00 C ATOM 998 O ASN A 71 36.075 -16.484 -9.170 1.00 0.00 O ATOM 999 CB ASN A 71 33.451 -14.612 -8.229 1.00 0.00 C ATOM 1000 CG ASN A 71 32.839 -15.899 -8.787 1.00 0.00 C ATOM 1001 OD1 ASN A 71 33.136 -16.311 -9.891 1.00 0.00 O ATOM 1002 ND2 ASN A 71 31.984 -16.564 -8.059 1.00 0.00 N ATOM 1003 OXT ASN A 71 35.701 -16.029 -7.064 1.00 0.00 O ATOM 0 H ASN A 71 34.962 -15.189 -10.684 1.00 0.00 H new ATOM 0 HA ASN A 71 35.418 -13.673 -8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 71 33.381 -14.605 -7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 71 32.896 -13.746 -8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 71 31.569 -17.424 -8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 71 31.730 -16.224 -7.132 1.00 0.00 H new TER 1010 ASN A 71