USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= -4.12! C(o=-7.6!,f=-6.1!) USER MOD Set 1.2: A 73 GLN : amide:sc= -3.53 K(o=-7.6,f=-10!) USER MOD Set 2.1: A 69 SER OG : rot -68:sc= -1.85! USER MOD Set 2.2: A 70 ASN : amide:sc= -2.1! C(o=-4!,f=-6.7!) USER MOD Set 3.1: A 31 THR OG1 : rot 159:sc= -7.59! USER MOD Set 3.2: A 39 GLN : amide:sc= -5.12! C(o=-13!,f=-16!) USER MOD Set 4.1: A 21 SER OG : rot 31:sc= 1.03 USER MOD Set 4.2: A 22 ASN : amide:sc= -4.04! C(o=-3!,f=-2.1!) USER MOD Set 5.1: A 1 GLY N :NH3+ -167:sc= -23.1! (180deg=-16.1!) USER MOD Set 5.2: A 23 ASN : amide:sc= -15! C(o=-38!,f=-40!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 35:sc= 0.973 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0938 X(o=-0.094,f=-0.44) USER MOD Single : A 12 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.7!) USER MOD Single : A 13 ASN : amide:sc= -2.37 K(o=-2.4,f=-4.7!) USER MOD Single : A 18 ASN : amide:sc= -11.6! C(o=-12!,f=-19!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.19) USER MOD Single : A 33 SER OG : rot 4:sc= 0.85 USER MOD Single : A 34 SER OG : rot -45:sc= 0.311 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 150:sc= -6.38! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -2! (180deg=-2.61!) USER MOD Single : A 53 THR OG1 : rot -139:sc= -5.84! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -158:sc=-8.33e-05 (180deg=-0.189) USER MOD Single : A 71 SER OG : rot 180:sc= -0.118 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 87 GLN : amide:sc= -6.53! C(o=-6.5!,f=-9!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -5.58! C(o=-5.6!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.881 -5.344 3.801 1.00 1.00 N ATOM 2 CA GLY A 1 6.469 -6.282 3.026 1.00 1.00 C ATOM 3 C GLY A 1 6.236 -7.457 3.812 1.00 1.00 C ATOM 4 O GLY A 1 6.982 -8.403 3.678 1.00 1.00 O ATOM 0 H1 GLY A 1 6.844 -4.435 3.296 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.273 -5.297 4.643 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.860 -5.539 4.092 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.553 -5.979 2.519 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.209 -6.485 2.252 1.00 1.00 H new ATOM 10 N SER A 2 5.159 -7.485 4.766 1.00 1.00 N ATOM 11 CA SER A 2 4.986 -8.721 5.579 1.00 1.00 C ATOM 12 C SER A 2 3.923 -9.578 4.994 1.00 1.00 C ATOM 13 O SER A 2 4.198 -10.698 4.560 1.00 1.00 O ATOM 14 CB SER A 2 4.695 -8.388 7.018 1.00 1.00 C ATOM 15 OG SER A 2 5.250 -9.391 7.872 1.00 1.00 O ATOM 0 H SER A 2 4.494 -6.732 4.942 1.00 1.00 H new ATOM 0 HA SER A 2 5.921 -9.280 5.560 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.115 -7.413 7.267 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.618 -8.320 7.174 1.00 1.00 H new ATOM 0 HG SER A 2 5.059 -9.167 8.807 1.00 1.00 H new ATOM 21 N GLY A 3 2.747 -9.152 5.043 1.00 1.00 N ATOM 22 CA GLY A 3 1.657 -9.943 4.545 1.00 1.00 C ATOM 23 C GLY A 3 0.487 -9.078 4.212 1.00 1.00 C ATOM 24 O GLY A 3 0.537 -7.900 4.394 1.00 1.00 O ATOM 0 H GLY A 3 2.478 -8.245 5.425 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.974 -10.491 3.658 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.368 -10.683 5.291 1.00 1.00 H new ATOM 28 N PRO A 4 -0.574 -9.651 3.722 1.00 1.00 N ATOM 29 CA PRO A 4 -1.779 -8.873 3.354 1.00 1.00 C ATOM 30 C PRO A 4 -2.242 -8.187 4.431 1.00 1.00 C ATOM 31 O PRO A 4 -3.168 -8.622 5.074 1.00 1.00 O ATOM 32 CB PRO A 4 -2.802 -9.920 2.874 1.00 1.00 C ATOM 33 CG PRO A 4 -2.255 -11.238 3.395 1.00 1.00 C ATOM 34 CD PRO A 4 -0.729 -11.059 3.485 1.00 1.00 C ATOM 0 HA PRO A 4 -1.577 -8.132 2.581 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.797 -9.717 3.271 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.887 -9.925 1.787 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.678 -11.477 4.371 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.513 -12.059 2.726 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.302 -11.652 4.293 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.233 -11.369 2.565 1.00 1.00 H new ATOM 42 N THR A 5 -1.671 -7.097 4.706 1.00 1.00 N ATOM 43 CA THR A 5 -2.060 -6.347 5.793 1.00 1.00 C ATOM 44 C THR A 5 -0.990 -5.507 6.296 1.00 1.00 C ATOM 45 O THR A 5 -1.276 -4.679 7.020 1.00 1.00 O ATOM 46 CB THR A 5 -2.472 -7.219 7.050 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.251 -6.459 8.256 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.626 -8.596 7.152 1.00 1.00 C ATOM 0 H THR A 5 -0.904 -6.698 4.165 1.00 1.00 H new ATOM 0 HA THR A 5 -2.903 -5.775 5.404 1.00 1.00 H new ATOM 0 HB THR A 5 -3.525 -7.474 6.931 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.446 -5.514 8.087 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.947 -9.156 8.030 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.797 -9.195 6.257 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.564 -8.365 7.237 1.00 1.00 H new ATOM 56 N TYR A 6 0.426 -5.910 6.102 1.00 1.00 N ATOM 57 CA TYR A 6 1.446 -5.183 6.844 1.00 1.00 C ATOM 58 C TYR A 6 1.229 -3.959 7.032 1.00 1.00 C ATOM 59 O TYR A 6 1.732 -3.373 8.007 1.00 1.00 O ATOM 60 CB TYR A 6 2.855 -5.311 6.443 1.00 1.00 C ATOM 61 CG TYR A 6 3.758 -4.909 7.884 1.00 1.00 C ATOM 62 CD1 TYR A 6 3.966 -5.892 8.903 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.260 -3.599 8.125 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.663 -5.561 10.076 1.00 1.00 C ATOM 65 CE2 TYR A 6 4.947 -3.303 9.304 1.00 1.00 C ATOM 66 CZ TYR A 6 5.151 -4.276 10.266 1.00 1.00 C ATOM 67 OH TYR A 6 5.834 -3.964 11.422 1.00 1.00 O ATOM 0 H TYR A 6 0.758 -6.657 5.491 1.00 1.00 H new ATOM 0 HA TYR A 6 1.322 -5.748 7.768 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.080 -6.322 6.102 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.097 -4.636 5.622 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.585 -6.894 8.769 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.108 -2.825 7.387 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.820 -6.312 10.836 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.323 -2.304 9.467 1.00 1.00 H new ATOM 0 HH TYR A 6 6.109 -3.024 11.396 1.00 1.00 H new ATOM 77 N CYS A 7 0.457 -3.408 6.219 1.00 1.00 N ATOM 78 CA CYS A 7 0.170 -2.146 6.405 1.00 1.00 C ATOM 79 C CYS A 7 1.309 -1.231 6.613 1.00 1.00 C ATOM 80 O CYS A 7 1.238 -0.360 7.483 1.00 1.00 O ATOM 81 CB CYS A 7 -0.670 -2.060 7.600 1.00 1.00 C ATOM 82 SG CYS A 7 -1.377 -0.321 7.757 1.00 1.00 S ATOM 0 H CYS A 7 0.022 -3.854 5.411 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.304 -1.821 5.479 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.479 -2.788 7.540 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.085 -2.306 8.486 1.00 1.00 H new ATOM 87 N TRP A 8 2.302 -1.369 5.860 1.00 1.00 N ATOM 88 CA TRP A 8 3.465 -0.375 5.995 1.00 1.00 C ATOM 89 C TRP A 8 2.812 0.910 6.340 1.00 1.00 C ATOM 90 O TRP A 8 2.099 1.422 5.487 1.00 1.00 O ATOM 91 CB TRP A 8 4.104 -0.214 4.703 1.00 1.00 C ATOM 92 CG TRP A 8 5.374 0.716 4.743 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.626 1.819 3.921 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.586 0.598 5.616 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.883 2.306 4.192 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.507 1.610 5.252 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.972 -0.292 6.679 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.753 1.740 5.906 1.00 1.00 C ATOM 99 CZ3 TRP A 8 8.216 -0.138 7.319 1.00 1.00 C ATOM 100 CH2 TRP A 8 9.093 0.871 6.933 1.00 1.00 C ATOM 0 H TRP A 8 2.414 -2.094 5.151 1.00 1.00 H new ATOM 0 HA TRP A 8 4.206 -0.699 6.725 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.393 -1.194 4.325 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.382 0.200 3.998 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.942 2.224 3.190 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.315 3.080 3.687 1.00 1.00 H new ATOM 0 HE3 TRP A 8 6.304 -1.082 6.987 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.441 2.516 5.606 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 8.493 -0.810 8.118 1.00 1.00 H new ATOM 0 HH2 TRP A 8 10.043 0.978 7.435 1.00 1.00 H new ATOM 111 N ASN A 9 2.885 1.405 7.580 1.00 1.00 N ATOM 112 CA ASN A 9 2.124 2.583 7.947 1.00 1.00 C ATOM 113 C ASN A 9 1.806 3.481 6.842 1.00 1.00 C ATOM 114 O ASN A 9 0.702 4.017 6.757 1.00 1.00 O ATOM 115 CB ASN A 9 2.847 3.346 9.064 1.00 1.00 C ATOM 116 CG ASN A 9 2.923 2.481 10.323 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.922 1.895 10.737 1.00 1.00 O ATOM 118 ND2 ASN A 9 4.059 2.367 10.960 1.00 1.00 N ATOM 0 H ASN A 9 3.455 1.010 8.328 1.00 1.00 H new ATOM 0 HA ASN A 9 1.161 2.211 8.296 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.851 3.619 8.739 1.00 1.00 H new ATOM 0 HB3 ASN A 9 2.319 4.275 9.282 1.00 1.00 H new ATOM 0 HD21 ASN A 9 4.117 1.792 11.801 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.887 2.853 10.616 1.00 1.00 H new ATOM 125 N GLU A 10 2.701 3.667 6.043 1.00 1.00 N ATOM 126 CA GLU A 10 2.530 4.533 4.938 1.00 1.00 C ATOM 127 C GLU A 10 1.933 5.881 5.397 1.00 1.00 C ATOM 128 O GLU A 10 0.893 6.335 4.908 1.00 1.00 O ATOM 129 CB GLU A 10 1.637 3.963 3.795 1.00 1.00 C ATOM 130 CG GLU A 10 2.407 3.128 2.940 1.00 1.00 C ATOM 131 CD GLU A 10 1.540 2.612 1.807 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.886 3.428 1.176 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.534 1.412 1.587 1.00 1.00 O ATOM 0 H GLU A 10 3.620 3.229 6.101 1.00 1.00 H new ATOM 0 HA GLU A 10 3.531 4.658 4.526 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.809 3.396 4.219 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.202 4.781 3.221 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.253 3.686 2.538 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.817 2.292 3.506 1.00 1.00 H new ATOM 140 N ALA A 11 2.620 6.501 6.282 1.00 1.00 N ATOM 141 CA ALA A 11 2.285 7.718 6.706 1.00 1.00 C ATOM 142 C ALA A 11 3.485 8.236 7.410 1.00 1.00 C ATOM 143 O ALA A 11 3.843 7.751 8.479 1.00 1.00 O ATOM 144 CB ALA A 11 1.101 7.724 7.550 1.00 1.00 C ATOM 0 H ALA A 11 3.458 6.119 6.721 1.00 1.00 H new ATOM 0 HA ALA A 11 2.005 8.356 5.868 1.00 1.00 H new ATOM 0 HB1 ALA A 11 0.882 8.745 7.862 1.00 1.00 H new ATOM 0 HB2 ALA A 11 0.254 7.325 6.992 1.00 1.00 H new ATOM 0 HB3 ALA A 11 1.278 7.106 8.430 1.00 1.00 H new ATOM 150 N ASN A 12 4.031 9.165 6.871 1.00 1.00 N ATOM 151 CA ASN A 12 5.241 9.867 7.430 1.00 1.00 C ATOM 152 C ASN A 12 6.068 10.674 6.244 1.00 1.00 C ATOM 153 O ASN A 12 7.288 10.760 6.270 1.00 1.00 O ATOM 154 CB ASN A 12 6.162 8.822 8.174 1.00 1.00 C ATOM 155 CG ASN A 12 7.624 9.260 8.202 1.00 1.00 C ATOM 156 OD1 ASN A 12 8.501 8.528 7.750 1.00 1.00 O ATOM 157 ND2 ASN A 12 7.937 10.424 8.708 1.00 1.00 N ATOM 0 H ASN A 12 3.713 9.553 5.983 1.00 1.00 H new ATOM 0 HA ASN A 12 4.914 10.616 8.151 1.00 1.00 H new ATOM 0 HB2 ASN A 12 5.805 8.688 9.195 1.00 1.00 H new ATOM 0 HB3 ASN A 12 6.084 7.854 7.679 1.00 1.00 H new ATOM 0 HD21 ASN A 12 8.911 10.726 8.728 1.00 1.00 H new ATOM 0 HD22 ASN A 12 7.207 11.030 9.083 1.00 1.00 H new ATOM 164 N ASN A 13 5.323 11.317 5.274 1.00 1.00 N ATOM 165 CA ASN A 13 5.946 12.121 4.240 1.00 1.00 C ATOM 166 C ASN A 13 4.880 12.654 3.234 1.00 1.00 C ATOM 167 O ASN A 13 3.785 12.116 3.146 1.00 1.00 O ATOM 168 CB ASN A 13 6.994 11.315 3.464 1.00 1.00 C ATOM 169 CG ASN A 13 8.316 12.107 3.300 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.666 12.510 2.191 1.00 1.00 O ATOM 171 ND2 ASN A 13 9.059 12.342 4.346 1.00 1.00 N ATOM 0 H ASN A 13 4.306 11.273 5.217 1.00 1.00 H new ATOM 0 HA ASN A 13 6.434 12.959 4.738 1.00 1.00 H new ATOM 0 HB2 ASN A 13 7.193 10.378 3.985 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.600 11.056 2.481 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.932 12.861 4.246 1.00 1.00 H new ATOM 0 HD22 ASN A 13 8.767 12.007 5.264 1.00 1.00 H new ATOM 178 N PRO A 14 5.227 13.693 2.452 1.00 1.00 N ATOM 179 CA PRO A 14 4.334 14.277 1.413 1.00 1.00 C ATOM 180 C PRO A 14 4.536 13.633 -0.003 1.00 1.00 C ATOM 181 O PRO A 14 3.577 13.529 -0.769 1.00 1.00 O ATOM 182 CB PRO A 14 4.686 15.772 1.422 1.00 1.00 C ATOM 183 CG PRO A 14 5.907 15.857 2.321 1.00 1.00 C ATOM 184 CD PRO A 14 6.424 14.412 2.489 1.00 1.00 C ATOM 0 HA PRO A 14 3.283 14.090 1.632 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.903 16.137 0.418 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.863 16.373 1.809 1.00 1.00 H new ATOM 0 HG2 PRO A 14 6.672 16.494 1.878 1.00 1.00 H new ATOM 0 HG3 PRO A 14 5.649 16.292 3.286 1.00 1.00 H new ATOM 0 HD2 PRO A 14 7.104 14.122 1.688 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.960 14.273 3.428 1.00 1.00 H new ATOM 192 N GLY A 15 5.717 13.185 -0.313 1.00 1.00 N ATOM 193 CA GLY A 15 5.951 12.507 -1.647 1.00 1.00 C ATOM 194 C GLY A 15 5.286 11.160 -1.602 1.00 1.00 C ATOM 195 O GLY A 15 5.801 10.179 -2.010 1.00 1.00 O ATOM 0 H GLY A 15 6.539 13.251 0.288 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.541 13.108 -2.458 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.019 12.399 -1.839 1.00 1.00 H new ATOM 199 N GLY A 16 4.155 11.158 -1.062 1.00 1.00 N ATOM 200 CA GLY A 16 3.404 9.958 -0.863 1.00 1.00 C ATOM 201 C GLY A 16 3.356 9.784 0.607 1.00 1.00 C ATOM 202 O GLY A 16 3.338 10.777 1.305 1.00 1.00 O ATOM 0 H GLY A 16 3.688 12.001 -0.727 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.402 10.043 -1.285 1.00 1.00 H new ATOM 0 HA3 GLY A 16 3.882 9.107 -1.347 1.00 1.00 H new ATOM 206 N PRO A 17 3.340 8.574 1.171 1.00 1.00 N ATOM 207 CA PRO A 17 3.299 8.415 2.669 1.00 1.00 C ATOM 208 C PRO A 17 4.630 8.464 3.146 1.00 1.00 C ATOM 209 O PRO A 17 5.413 9.180 2.573 1.00 1.00 O ATOM 210 CB PRO A 17 2.701 6.984 2.755 1.00 1.00 C ATOM 211 CG PRO A 17 2.307 6.671 1.397 1.00 1.00 C ATOM 212 CD PRO A 17 3.320 7.329 0.572 1.00 1.00 C ATOM 0 HA PRO A 17 2.744 9.158 3.241 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.434 6.270 3.130 1.00 1.00 H new ATOM 0 HB3 PRO A 17 1.848 6.951 3.433 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.290 5.595 1.225 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.308 7.045 1.175 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.287 6.828 0.619 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.036 7.376 -0.479 1.00 1.00 H new ATOM 220 N ASN A 18 4.999 7.639 4.288 1.00 1.00 N ATOM 221 CA ASN A 18 6.383 7.618 4.744 1.00 1.00 C ATOM 222 C ASN A 18 7.279 7.640 3.517 1.00 1.00 C ATOM 223 O ASN A 18 8.504 7.623 3.642 1.00 1.00 O ATOM 224 CB ASN A 18 6.778 6.275 5.600 1.00 1.00 C ATOM 225 CG ASN A 18 5.574 5.562 6.201 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.836 6.129 6.931 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.388 4.298 5.941 1.00 1.00 N ATOM 0 H ASN A 18 4.355 7.052 4.818 1.00 1.00 H new ATOM 0 HA ASN A 18 6.513 8.480 5.398 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.312 5.583 4.949 1.00 1.00 H new ATOM 0 HB3 ASN A 18 7.463 6.553 6.401 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.607 3.799 6.367 1.00 1.00 H new ATOM 0 HD22 ASN A 18 6.024 3.808 5.312 1.00 1.00 H new ATOM 234 N ARG A 19 6.589 7.567 2.260 1.00 1.00 N ATOM 235 CA ARG A 19 7.205 7.495 1.066 1.00 1.00 C ATOM 236 C ARG A 19 7.537 6.233 1.037 1.00 1.00 C ATOM 237 O ARG A 19 8.576 5.898 1.479 1.00 1.00 O ATOM 238 CB ARG A 19 8.394 8.536 0.955 1.00 1.00 C ATOM 239 CG ARG A 19 7.891 9.793 0.148 1.00 1.00 C ATOM 240 CD ARG A 19 8.396 9.704 -1.348 1.00 1.00 C ATOM 241 NE ARG A 19 9.674 10.437 -1.498 1.00 1.00 N ATOM 242 CZ ARG A 19 9.976 11.100 -2.631 1.00 1.00 C ATOM 243 NH1 ARG A 19 9.139 11.098 -3.637 1.00 1.00 N ATOM 244 NH2 ARG A 19 11.103 11.744 -2.726 1.00 1.00 N ATOM 0 H ARG A 19 5.571 7.565 2.189 1.00 1.00 H new ATOM 0 HA ARG A 19 6.608 7.775 0.198 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.729 8.834 1.948 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.248 8.082 0.453 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.802 9.841 0.172 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.260 10.707 0.613 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.531 8.661 -1.633 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.646 10.124 -2.019 1.00 1.00 H new ATOM 0 HE ARG A 19 10.341 10.440 -0.726 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.255 10.594 -3.564 1.00 1.00 H new ATOM 0 HH12 ARG A 19 9.370 11.601 -4.494 1.00 1.00 H new ATOM 0 HH21 ARG A 19 11.757 11.746 -1.943 1.00 1.00 H new ATOM 0 HH22 ARG A 19 11.333 12.246 -3.584 1.00 1.00 H new ATOM 258 N CYS A 20 6.435 5.318 0.451 1.00 1.00 N ATOM 259 CA CYS A 20 6.564 3.792 0.348 1.00 1.00 C ATOM 260 C CYS A 20 8.012 3.685 0.780 1.00 1.00 C ATOM 261 O CYS A 20 8.854 4.311 0.146 1.00 1.00 O ATOM 262 CB CYS A 20 6.230 3.374 -1.144 1.00 1.00 C ATOM 263 SG CYS A 20 6.139 1.464 -1.545 1.00 1.00 S ATOM 0 H CYS A 20 5.549 5.676 0.095 1.00 1.00 H new ATOM 0 HA CYS A 20 5.911 3.141 0.929 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.272 3.820 -1.412 1.00 1.00 H new ATOM 0 HB3 CYS A 20 6.983 3.819 -1.795 1.00 1.00 H new ATOM 268 N SER A 21 8.312 3.049 1.836 1.00 1.00 N ATOM 269 CA SER A 21 9.785 3.132 2.360 1.00 1.00 C ATOM 270 C SER A 21 10.492 1.849 2.793 1.00 1.00 C ATOM 271 O SER A 21 11.601 1.922 3.296 1.00 1.00 O ATOM 272 CB SER A 21 9.745 4.127 3.515 1.00 1.00 C ATOM 273 OG SER A 21 10.850 3.906 4.381 1.00 1.00 O ATOM 0 H SER A 21 7.673 2.477 2.388 1.00 1.00 H new ATOM 0 HA SER A 21 10.395 3.423 1.505 1.00 1.00 H new ATOM 0 HB2 SER A 21 9.772 5.146 3.130 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.811 4.019 4.067 1.00 1.00 H new ATOM 0 HG SER A 21 11.610 3.568 3.862 1.00 1.00 H new ATOM 279 N ASN A 22 9.951 0.760 2.558 1.00 1.00 N ATOM 280 CA ASN A 22 10.659 -0.517 2.904 1.00 1.00 C ATOM 281 C ASN A 22 10.089 -1.560 2.182 1.00 1.00 C ATOM 282 O ASN A 22 9.096 -1.388 1.556 1.00 1.00 O ATOM 283 CB ASN A 22 10.556 -0.823 4.412 1.00 1.00 C ATOM 284 CG ASN A 22 11.736 -0.195 5.191 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.698 -0.890 5.526 1.00 1.00 O ATOM 286 ND2 ASN A 22 11.712 1.067 5.496 1.00 1.00 N ATOM 0 H ASN A 22 9.031 0.646 2.133 1.00 1.00 H new ATOM 0 HA ASN A 22 11.714 -0.409 2.650 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.614 -0.437 4.801 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.547 -1.902 4.567 1.00 1.00 H new ATOM 0 HD21 ASN A 22 12.488 1.482 6.012 1.00 1.00 H new ATOM 0 HD22 ASN A 22 10.917 1.643 5.220 1.00 1.00 H new ATOM 293 N ASN A 23 10.675 -2.736 2.294 1.00 1.00 N ATOM 294 CA ASN A 23 10.116 -3.833 1.643 1.00 1.00 C ATOM 295 C ASN A 23 9.718 -3.467 0.180 1.00 1.00 C ATOM 296 O ASN A 23 8.592 -3.616 -0.196 1.00 1.00 O ATOM 297 CB ASN A 23 8.865 -4.302 2.510 1.00 1.00 C ATOM 298 CG ASN A 23 8.476 -3.268 3.634 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.887 -2.234 3.365 1.00 1.00 O ATOM 300 ND2 ASN A 23 8.788 -3.528 4.869 1.00 1.00 N ATOM 0 H ASN A 23 11.524 -2.924 2.828 1.00 1.00 H new ATOM 0 HA ASN A 23 10.833 -4.650 1.560 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.010 -4.454 1.852 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.089 -5.264 2.970 1.00 1.00 H new ATOM 0 HD21 ASN A 23 8.540 -2.869 5.607 1.00 1.00 H new ATOM 0 HD22 ASN A 23 9.280 -4.391 5.100 1.00 1.00 H new ATOM 307 N LYS A 24 10.720 -2.850 -0.578 1.00 1.00 N ATOM 308 CA LYS A 24 10.523 -2.296 -1.975 1.00 1.00 C ATOM 309 C LYS A 24 9.884 -0.974 -1.864 1.00 1.00 C ATOM 310 O LYS A 24 9.616 -0.345 -2.853 1.00 1.00 O ATOM 311 CB LYS A 24 9.736 -3.200 -2.917 1.00 1.00 C ATOM 312 CG LYS A 24 10.638 -4.257 -3.534 1.00 1.00 C ATOM 313 CD LYS A 24 9.749 -5.452 -4.085 1.00 1.00 C ATOM 314 CE LYS A 24 10.366 -6.042 -5.366 1.00 1.00 C ATOM 315 NZ LYS A 24 9.987 -5.197 -6.536 1.00 1.00 N ATOM 0 H LYS A 24 11.672 -2.730 -0.232 1.00 1.00 H new ATOM 0 HA LYS A 24 11.510 -2.223 -2.431 1.00 1.00 H new ATOM 0 HB2 LYS A 24 8.925 -3.682 -2.372 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.279 -2.601 -3.705 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.225 -3.823 -4.343 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.344 -4.627 -2.791 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.663 -6.229 -3.325 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.740 -5.096 -4.292 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.451 -6.087 -5.272 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.016 -7.064 -5.513 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.404 -5.595 -7.402 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 8.951 -5.176 -6.628 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.341 -4.230 -6.395 1.00 1.00 H new ATOM 329 N GLN A 25 9.667 -0.588 -0.604 1.00 1.00 N ATOM 330 CA GLN A 25 9.082 0.632 -0.210 1.00 1.00 C ATOM 331 C GLN A 25 7.769 0.411 0.341 1.00 1.00 C ATOM 332 O GLN A 25 7.227 1.305 0.891 1.00 1.00 O ATOM 333 CB GLN A 25 9.078 1.699 -1.307 1.00 1.00 C ATOM 334 CG GLN A 25 10.505 2.321 -1.435 1.00 1.00 C ATOM 335 CD GLN A 25 11.001 2.286 -2.892 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.170 1.982 -3.144 1.00 1.00 O ATOM 337 NE2 GLN A 25 10.180 2.583 -3.856 1.00 1.00 N ATOM 0 H GLN A 25 9.921 -1.175 0.191 1.00 1.00 H new ATOM 0 HA GLN A 25 9.718 1.043 0.574 1.00 1.00 H new ATOM 0 HB2 GLN A 25 8.776 1.258 -2.257 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.351 2.476 -1.071 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.489 3.351 -1.079 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.201 1.775 -0.798 1.00 1.00 H new ATOM 0 HE21 GLN A 25 9.214 2.834 -3.644 1.00 1.00 H new ATOM 0 HE22 GLN A 25 10.502 2.565 -4.824 1.00 1.00 H new ATOM 346 N CYS A 26 7.176 -0.809 0.244 1.00 1.00 N ATOM 347 CA CYS A 26 5.796 -0.966 0.869 1.00 1.00 C ATOM 348 C CYS A 26 5.802 -2.089 1.763 1.00 1.00 C ATOM 349 O CYS A 26 6.620 -2.900 1.622 1.00 1.00 O ATOM 350 CB CYS A 26 4.843 -1.149 -0.256 1.00 1.00 C ATOM 351 SG CYS A 26 4.337 0.620 -0.898 1.00 1.00 S ATOM 0 H CYS A 26 7.567 -1.635 -0.209 1.00 1.00 H new ATOM 0 HA CYS A 26 5.505 -0.097 1.459 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.303 -1.729 -1.056 1.00 1.00 H new ATOM 0 HB3 CYS A 26 3.964 -1.702 0.074 1.00 1.00 H new ATOM 356 N ASP A 27 4.909 -2.213 2.619 1.00 1.00 N ATOM 357 CA ASP A 27 4.798 -3.339 3.510 1.00 1.00 C ATOM 358 C ASP A 27 3.507 -3.866 3.265 1.00 1.00 C ATOM 359 O ASP A 27 2.590 -3.151 2.863 1.00 1.00 O ATOM 360 CB ASP A 27 5.082 -2.985 5.041 1.00 1.00 C ATOM 361 CG ASP A 27 5.653 -4.177 5.828 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.291 -5.272 5.537 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.453 -3.940 6.721 1.00 1.00 O ATOM 0 H ASP A 27 4.177 -1.516 2.757 1.00 1.00 H new ATOM 0 HA ASP A 27 5.571 -4.082 3.313 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.782 -2.151 5.093 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.156 -2.654 5.511 1.00 1.00 H new ATOM 368 N GLY A 28 3.414 -5.175 3.377 1.00 1.00 N ATOM 369 CA GLY A 28 2.275 -5.887 3.051 1.00 1.00 C ATOM 370 C GLY A 28 2.676 -7.328 2.286 1.00 1.00 C ATOM 371 O GLY A 28 1.893 -7.893 1.657 1.00 1.00 O ATOM 0 H GLY A 28 4.179 -5.760 3.714 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.700 -6.096 3.953 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.639 -5.288 2.399 1.00 1.00 H new ATOM 375 N ALA A 29 3.943 -7.836 2.516 1.00 1.00 N ATOM 376 CA ALA A 29 4.454 -9.188 1.969 1.00 1.00 C ATOM 377 C ALA A 29 5.871 -9.164 1.477 1.00 1.00 C ATOM 378 O ALA A 29 6.526 -10.205 1.475 1.00 1.00 O ATOM 379 CB ALA A 29 3.524 -9.797 0.889 1.00 1.00 C ATOM 0 H ALA A 29 4.639 -7.341 3.074 1.00 1.00 H new ATOM 0 HA ALA A 29 4.436 -9.838 2.844 1.00 1.00 H new ATOM 0 HB1 ALA A 29 3.938 -10.745 0.545 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.535 -9.966 1.314 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.445 -9.109 0.047 1.00 1.00 H new ATOM 385 N ARG A 30 6.339 -8.045 0.965 1.00 1.00 N ATOM 386 CA ARG A 30 7.744 -8.055 0.361 1.00 1.00 C ATOM 387 C ARG A 30 8.810 -8.852 1.301 1.00 1.00 C ATOM 388 O ARG A 30 8.515 -9.371 2.353 1.00 1.00 O ATOM 389 CB ARG A 30 8.335 -6.533 -0.204 1.00 1.00 C ATOM 390 CG ARG A 30 7.378 -5.943 -1.158 1.00 1.00 C ATOM 391 CD ARG A 30 6.281 -4.957 -0.517 1.00 1.00 C ATOM 392 NE ARG A 30 6.456 -3.682 -1.102 1.00 1.00 N ATOM 393 CZ ARG A 30 6.375 -3.528 -2.432 1.00 1.00 C ATOM 394 NH1 ARG A 30 5.921 -4.508 -3.163 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.681 -2.409 -2.969 1.00 1.00 N ATOM 0 H ARG A 30 5.844 -7.154 0.932 1.00 1.00 H new ATOM 0 HA ARG A 30 7.633 -8.625 -0.561 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.486 -5.857 0.638 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.305 -6.666 -0.684 1.00 1.00 H new ATOM 0 HG2 ARG A 30 7.938 -5.393 -1.914 1.00 1.00 H new ATOM 0 HG3 ARG A 30 6.858 -6.752 -1.672 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.274 -5.330 -0.706 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.402 -4.901 0.565 1.00 1.00 H new ATOM 0 HE ARG A 30 6.645 -2.874 -0.509 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.632 -5.381 -2.722 1.00 1.00 H new ATOM 0 HH12 ARG A 30 5.855 -4.401 -4.175 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.988 -1.630 -2.386 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.618 -2.295 -3.981 1.00 1.00 H new ATOM 409 N THR A 31 9.910 -8.969 0.740 1.00 1.00 N ATOM 410 CA THR A 31 10.987 -9.663 1.160 1.00 1.00 C ATOM 411 C THR A 31 12.182 -8.949 0.917 1.00 1.00 C ATOM 412 O THR A 31 12.273 -8.464 -0.050 1.00 1.00 O ATOM 413 CB THR A 31 10.991 -10.869 0.131 1.00 1.00 C ATOM 414 OG1 THR A 31 11.278 -10.480 -1.144 1.00 1.00 O ATOM 415 CG2 THR A 31 9.601 -11.516 0.156 1.00 1.00 C ATOM 0 H THR A 31 10.090 -8.509 -0.153 1.00 1.00 H new ATOM 0 HA THR A 31 10.941 -9.906 2.222 1.00 1.00 H new ATOM 0 HB THR A 31 11.772 -11.567 0.433 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.596 -11.252 -1.658 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.576 -12.351 -0.545 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.387 -11.879 1.161 1.00 1.00 H new ATOM 0 HG23 THR A 31 8.851 -10.779 -0.131 1.00 1.00 H new ATOM 423 N CYS A 32 13.098 -8.812 1.773 1.00 1.00 N ATOM 424 CA CYS A 32 14.342 -7.932 1.342 1.00 1.00 C ATOM 425 C CYS A 32 15.255 -8.695 0.527 1.00 1.00 C ATOM 426 O CYS A 32 14.965 -9.793 0.088 1.00 1.00 O ATOM 427 CB CYS A 32 15.047 -7.122 2.579 1.00 1.00 C ATOM 428 SG CYS A 32 16.362 -6.001 2.020 1.00 1.00 S ATOM 0 H CYS A 32 13.118 -9.210 2.712 1.00 1.00 H new ATOM 0 HA CYS A 32 13.963 -7.127 0.712 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.289 -6.549 3.112 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.462 -7.838 3.288 1.00 1.00 H new ATOM 433 N SER A 33 16.324 -8.148 0.357 1.00 1.00 N ATOM 434 CA SER A 33 17.409 -8.841 -0.467 1.00 1.00 C ATOM 435 C SER A 33 18.087 -9.818 0.360 1.00 1.00 C ATOM 436 O SER A 33 18.976 -10.558 -0.064 1.00 1.00 O ATOM 437 CB SER A 33 18.262 -7.937 -1.140 1.00 1.00 C ATOM 438 OG SER A 33 19.363 -8.642 -1.697 1.00 1.00 O ATOM 0 H SER A 33 16.576 -7.232 0.728 1.00 1.00 H new ATOM 0 HA SER A 33 16.940 -9.383 -1.288 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.712 -7.421 -1.927 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.619 -7.174 -0.448 1.00 1.00 H new ATOM 0 HG SER A 33 19.248 -9.603 -1.543 1.00 1.00 H new ATOM 444 N SER A 34 17.583 -9.888 1.449 1.00 1.00 N ATOM 445 CA SER A 34 17.864 -10.778 2.469 1.00 1.00 C ATOM 446 C SER A 34 16.429 -11.426 2.883 1.00 1.00 C ATOM 447 O SER A 34 16.320 -12.066 3.925 1.00 1.00 O ATOM 448 CB SER A 34 18.436 -10.033 3.610 1.00 1.00 C ATOM 449 OG SER A 34 18.858 -10.948 4.617 1.00 1.00 O ATOM 0 H SER A 34 16.846 -9.237 1.721 1.00 1.00 H new ATOM 0 HA SER A 34 18.579 -11.546 2.173 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.280 -9.430 3.276 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.694 -9.346 4.017 1.00 1.00 H new ATOM 0 HG SER A 34 18.164 -11.626 4.755 1.00 1.00 H new ATOM 455 N SER A 35 15.300 -11.216 1.964 1.00 1.00 N ATOM 456 CA SER A 35 14.047 -11.707 2.178 1.00 1.00 C ATOM 457 C SER A 35 13.452 -11.067 3.309 1.00 1.00 C ATOM 458 O SER A 35 12.284 -11.284 3.641 1.00 1.00 O ATOM 459 CB SER A 35 14.061 -13.144 2.366 1.00 1.00 C ATOM 460 OG SER A 35 14.804 -13.757 1.318 1.00 1.00 O ATOM 0 H SER A 35 15.384 -10.684 1.098 1.00 1.00 H new ATOM 0 HA SER A 35 13.451 -11.494 1.290 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.504 -13.390 3.331 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.041 -13.529 2.376 1.00 1.00 H new ATOM 0 HG SER A 35 14.813 -14.728 1.448 1.00 1.00 H new ATOM 466 N GLY A 36 14.256 -10.264 3.934 1.00 1.00 N ATOM 467 CA GLY A 36 13.843 -9.561 5.066 1.00 1.00 C ATOM 468 C GLY A 36 12.542 -8.955 4.774 1.00 1.00 C ATOM 469 O GLY A 36 11.524 -9.412 5.264 1.00 1.00 O ATOM 0 H GLY A 36 15.222 -10.090 3.655 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.768 -10.230 5.923 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.572 -8.793 5.324 1.00 1.00 H new ATOM 473 N PHE A 37 12.569 -7.943 3.968 1.00 1.00 N ATOM 474 CA PHE A 37 11.470 -7.287 3.603 1.00 1.00 C ATOM 475 C PHE A 37 11.923 -6.079 2.811 1.00 1.00 C ATOM 476 O PHE A 37 11.964 -5.004 3.359 1.00 1.00 O ATOM 477 CB PHE A 37 10.597 -6.832 4.916 1.00 1.00 C ATOM 478 CG PHE A 37 11.473 -6.102 5.970 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.135 -6.834 6.974 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.606 -4.685 5.939 1.00 1.00 C ATOM 481 CE1 PHE A 37 12.919 -6.168 7.925 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.391 -4.038 6.895 1.00 1.00 C ATOM 483 CZ PHE A 37 13.048 -4.776 7.883 1.00 1.00 C ATOM 0 H PHE A 37 13.427 -7.575 3.556 1.00 1.00 H new ATOM 0 HA PHE A 37 10.822 -7.923 3.001 1.00 1.00 H new ATOM 0 HB2 PHE A 37 9.785 -6.176 4.602 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.140 -7.711 5.370 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.038 -7.909 7.011 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.100 -4.111 5.177 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.426 -6.732 8.694 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.491 -2.963 6.871 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.658 -4.270 8.617 1.00 1.00 H new ATOM 493 N CYS A 38 12.349 -6.233 1.379 1.00 1.00 N ATOM 494 CA CYS A 38 12.816 -5.074 0.522 1.00 1.00 C ATOM 495 C CYS A 38 12.953 -5.489 -0.858 1.00 1.00 C ATOM 496 O CYS A 38 13.663 -4.897 -1.666 1.00 1.00 O ATOM 497 CB CYS A 38 14.105 -4.395 1.059 1.00 1.00 C ATOM 498 SG CYS A 38 15.579 -5.183 0.411 1.00 1.00 S ATOM 0 H CYS A 38 12.351 -7.129 0.892 1.00 1.00 H new ATOM 0 HA CYS A 38 12.045 -4.306 0.574 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.104 -3.340 0.784 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.115 -4.441 2.148 1.00 1.00 H new ATOM 503 N GLN A 39 12.303 -6.536 -1.098 1.00 1.00 N ATOM 504 CA GLN A 39 12.277 -7.207 -2.335 1.00 1.00 C ATOM 505 C GLN A 39 11.093 -8.154 -2.337 1.00 1.00 C ATOM 506 O GLN A 39 10.649 -8.527 -1.359 1.00 1.00 O ATOM 507 CB GLN A 39 13.687 -7.915 -2.493 1.00 1.00 C ATOM 508 CG GLN A 39 13.663 -9.405 -2.259 1.00 1.00 C ATOM 509 CD GLN A 39 12.900 -10.118 -3.380 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.293 -11.163 -3.154 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.901 -9.610 -4.584 1.00 1.00 N ATOM 0 H GLN A 39 11.727 -6.992 -0.390 1.00 1.00 H new ATOM 0 HA GLN A 39 12.137 -6.551 -3.194 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.067 -7.723 -3.496 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.389 -7.460 -1.794 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.683 -9.786 -2.207 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.193 -9.620 -1.299 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.405 -8.743 -4.771 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.398 -10.080 -5.336 1.00 1.00 H new ATOM 520 N GLY A 40 10.538 -8.444 -3.495 1.00 1.00 N ATOM 521 CA GLY A 40 9.340 -9.346 -3.547 1.00 1.00 C ATOM 522 C GLY A 40 8.007 -8.671 -3.969 1.00 1.00 C ATOM 523 O GLY A 40 7.831 -8.268 -5.119 1.00 1.00 O ATOM 0 H GLY A 40 10.861 -8.098 -4.398 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.550 -10.159 -4.242 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.203 -9.795 -2.563 1.00 1.00 H new ATOM 527 N THR A 41 7.032 -8.662 -3.009 1.00 1.00 N ATOM 528 CA THR A 41 5.634 -8.143 -3.292 1.00 1.00 C ATOM 529 C THR A 41 4.890 -7.543 -1.965 1.00 1.00 C ATOM 530 O THR A 41 5.062 -8.062 -0.925 1.00 1.00 O ATOM 531 CB THR A 41 4.818 -9.402 -3.817 1.00 1.00 C ATOM 532 OG1 THR A 41 4.215 -9.092 -5.068 1.00 1.00 O ATOM 533 CG2 THR A 41 3.731 -9.831 -2.825 1.00 1.00 C ATOM 0 H THR A 41 7.171 -8.996 -2.055 1.00 1.00 H new ATOM 0 HA THR A 41 5.685 -7.322 -4.007 1.00 1.00 H new ATOM 0 HB THR A 41 5.520 -10.229 -3.928 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.714 -9.870 -5.391 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.197 -10.694 -3.222 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.191 -10.095 -1.873 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.031 -9.009 -2.674 1.00 1.00 H new ATOM 541 N SER A 42 4.033 -6.543 -2.116 1.00 1.00 N ATOM 542 CA SER A 42 3.227 -6.018 -0.927 1.00 1.00 C ATOM 543 C SER A 42 1.937 -6.451 -1.092 1.00 1.00 C ATOM 544 O SER A 42 1.098 -5.700 -1.587 1.00 1.00 O ATOM 545 CB SER A 42 3.239 -4.352 -0.769 1.00 1.00 C ATOM 546 OG SER A 42 3.985 -3.769 -1.810 1.00 1.00 O ATOM 0 H SER A 42 3.853 -6.067 -3.000 1.00 1.00 H new ATOM 0 HA SER A 42 3.688 -6.399 -0.016 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.218 -3.971 -0.786 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.667 -4.074 0.194 1.00 1.00 H new ATOM 0 HG SER A 42 3.625 -2.880 -2.013 1.00 1.00 H new ATOM 552 N ARG A 43 1.630 -7.714 -0.688 1.00 1.00 N ATOM 553 CA ARG A 43 0.301 -8.244 -0.814 1.00 1.00 C ATOM 554 C ARG A 43 -0.396 -7.700 -1.923 1.00 1.00 C ATOM 555 O ARG A 43 -1.475 -7.145 -1.784 1.00 1.00 O ATOM 556 CB ARG A 43 -0.440 -8.098 0.505 1.00 1.00 C ATOM 557 CG ARG A 43 -0.299 -6.560 1.127 1.00 1.00 C ATOM 558 CD ARG A 43 -1.504 -5.692 0.535 1.00 1.00 C ATOM 559 NE ARG A 43 -1.763 -4.552 1.407 1.00 1.00 N ATOM 560 CZ ARG A 43 -0.895 -3.537 1.480 1.00 1.00 C ATOM 561 NH1 ARG A 43 0.160 -3.526 0.710 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.103 -2.552 2.310 1.00 1.00 N ATOM 0 H ARG A 43 2.304 -8.360 -0.277 1.00 1.00 H new ATOM 0 HA ARG A 43 0.368 -9.310 -1.032 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.494 -8.335 0.358 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -0.048 -8.818 1.224 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.340 -6.581 2.216 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.661 -6.122 0.853 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.257 -5.346 -0.469 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.400 -6.307 0.448 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.615 -4.529 1.967 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.321 -4.291 0.054 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.823 -2.753 0.764 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -1.930 -2.554 2.907 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -0.438 -1.780 2.362 1.00 1.00 H new ATOM 576 N LYS A 44 0.229 -7.934 -3.150 1.00 1.00 N ATOM 577 CA LYS A 44 -0.368 -7.513 -4.403 1.00 1.00 C ATOM 578 C LYS A 44 -1.722 -7.557 -4.257 1.00 1.00 C ATOM 579 O LYS A 44 -2.259 -8.559 -4.395 1.00 1.00 O ATOM 580 CB LYS A 44 0.045 -8.422 -5.547 1.00 1.00 C ATOM 581 CG LYS A 44 -0.632 -7.904 -6.845 1.00 1.00 C ATOM 582 CD LYS A 44 -0.009 -8.616 -8.070 1.00 1.00 C ATOM 583 CE LYS A 44 -0.735 -8.182 -9.392 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.022 -9.393 -10.208 1.00 1.00 N ATOM 0 H LYS A 44 1.128 -8.406 -3.250 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.029 -6.505 -4.641 1.00 1.00 H new ATOM 0 HB2 LYS A 44 1.129 -8.424 -5.658 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.257 -9.450 -5.344 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -1.705 -8.092 -6.808 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -0.500 -6.825 -6.932 1.00 1.00 H new ATOM 0 HD2 LYS A 44 1.052 -8.375 -8.136 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.084 -9.696 -7.946 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -1.662 -7.658 -9.158 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -0.110 -7.489 -9.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.503 -9.114 -11.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.130 -9.875 -10.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.633 -10.038 -9.668 1.00 1.00 H new ATOM 598 N PRO A 45 -2.380 -6.429 -3.911 1.00 1.00 N ATOM 599 CA PRO A 45 -3.822 -6.410 -3.751 1.00 1.00 C ATOM 600 C PRO A 45 -4.379 -7.005 -4.939 1.00 1.00 C ATOM 601 O PRO A 45 -5.003 -6.357 -5.785 1.00 1.00 O ATOM 602 CB PRO A 45 -4.127 -4.959 -3.593 1.00 1.00 C ATOM 603 CG PRO A 45 -2.909 -4.448 -2.952 1.00 1.00 C ATOM 604 CD PRO A 45 -1.812 -5.132 -3.633 1.00 1.00 C ATOM 0 HA PRO A 45 -4.232 -6.966 -2.908 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.314 -4.477 -4.552 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.010 -4.795 -2.976 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -2.829 -3.366 -3.061 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -2.905 -4.662 -1.883 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -1.515 -4.615 -4.545 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -0.925 -5.203 -3.004 1.00 1.00 H new ATOM 612 N ASP A 46 -4.037 -8.260 -5.058 1.00 1.00 N ATOM 613 CA ASP A 46 -4.365 -9.030 -6.208 1.00 1.00 C ATOM 614 C ASP A 46 -5.825 -9.595 -6.091 1.00 1.00 C ATOM 615 O ASP A 46 -6.455 -9.451 -5.044 1.00 1.00 O ATOM 616 CB ASP A 46 -3.277 -10.265 -6.466 1.00 1.00 C ATOM 617 CG ASP A 46 -3.918 -11.654 -6.249 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.681 -11.795 -5.322 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.621 -12.544 -7.027 1.00 1.00 O ATOM 0 H ASP A 46 -3.517 -8.774 -4.347 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.310 -8.367 -7.071 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.888 -10.200 -7.482 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.428 -10.148 -5.792 1.00 1.00 H new ATOM 624 N PRO A 47 -6.358 -10.267 -7.138 1.00 1.00 N ATOM 625 CA PRO A 47 -7.730 -10.870 -7.077 1.00 1.00 C ATOM 626 C PRO A 47 -7.773 -12.134 -6.132 1.00 1.00 C ATOM 627 O PRO A 47 -8.159 -13.225 -6.550 1.00 1.00 O ATOM 628 CB PRO A 47 -8.039 -11.254 -8.574 1.00 1.00 C ATOM 629 CG PRO A 47 -6.930 -10.618 -9.391 1.00 1.00 C ATOM 630 CD PRO A 47 -5.734 -10.500 -8.460 1.00 1.00 C ATOM 0 HA PRO A 47 -8.468 -10.185 -6.659 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.054 -12.336 -8.707 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.016 -10.882 -8.881 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.688 -11.228 -10.261 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.232 -9.639 -9.763 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.128 -11.406 -8.466 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.079 -9.677 -8.747 1.00 1.00 H new ATOM 638 N GLY A 48 -7.387 -11.934 -4.855 1.00 1.00 N ATOM 639 CA GLY A 48 -7.399 -13.023 -3.846 1.00 1.00 C ATOM 640 C GLY A 48 -7.868 -12.433 -2.564 1.00 1.00 C ATOM 641 O GLY A 48 -9.055 -12.510 -2.238 1.00 1.00 O ATOM 0 H GLY A 48 -7.064 -11.036 -4.496 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.059 -13.831 -4.161 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.403 -13.451 -3.731 1.00 1.00 H new ATOM 645 N PRO A 49 -6.991 -11.741 -1.845 1.00 1.00 N ATOM 646 CA PRO A 49 -7.386 -11.047 -0.657 1.00 1.00 C ATOM 647 C PRO A 49 -8.594 -10.203 -0.971 1.00 1.00 C ATOM 648 O PRO A 49 -9.715 -10.596 -0.656 1.00 1.00 O ATOM 649 CB PRO A 49 -6.134 -10.159 -0.263 1.00 1.00 C ATOM 650 CG PRO A 49 -5.113 -10.358 -1.343 1.00 1.00 C ATOM 651 CD PRO A 49 -5.558 -11.580 -2.143 1.00 1.00 C ATOM 0 HA PRO A 49 -7.661 -11.708 0.165 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.414 -9.109 -0.182 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.736 -10.458 0.707 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.049 -9.478 -1.983 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.122 -10.514 -0.916 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.393 -11.433 -3.210 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -4.994 -12.466 -1.853 1.00 1.00 H new ATOM 659 N LYS A 50 -8.349 -9.037 -1.615 1.00 1.00 N ATOM 660 CA LYS A 50 -9.411 -8.049 -2.024 1.00 1.00 C ATOM 661 C LYS A 50 -9.993 -7.294 -0.818 1.00 1.00 C ATOM 662 O LYS A 50 -11.189 -6.996 -0.792 1.00 1.00 O ATOM 663 CB LYS A 50 -10.619 -8.862 -2.775 1.00 1.00 C ATOM 664 CG LYS A 50 -10.513 -8.692 -4.416 1.00 1.00 C ATOM 665 CD LYS A 50 -11.285 -7.362 -4.904 1.00 1.00 C ATOM 666 CE LYS A 50 -10.733 -6.100 -4.172 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.289 -5.928 -4.494 1.00 1.00 N ATOM 0 H LYS A 50 -7.408 -8.741 -1.873 1.00 1.00 H new ATOM 0 HA LYS A 50 -8.954 -7.315 -2.688 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.571 -9.918 -2.511 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.583 -8.490 -2.428 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.466 -8.640 -4.714 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -10.941 -9.567 -4.905 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.168 -7.243 -5.981 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.352 -7.463 -4.708 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.292 -5.216 -4.478 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -10.866 -6.204 -3.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.824 -5.395 -3.731 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.840 -6.862 -4.587 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.193 -5.407 -5.389 1.00 1.00 H new ATOM 681 N GLY A 51 -9.185 -7.051 0.232 1.00 1.00 N ATOM 682 CA GLY A 51 -9.637 -6.492 1.332 1.00 1.00 C ATOM 683 C GLY A 51 -8.862 -7.056 2.377 1.00 1.00 C ATOM 684 O GLY A 51 -8.165 -6.411 2.936 1.00 1.00 O ATOM 0 H GLY A 51 -8.190 -7.276 0.251 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.525 -5.408 1.299 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.698 -6.699 1.472 1.00 1.00 H new ATOM 688 N PRO A 52 -8.949 -8.355 2.612 1.00 1.00 N ATOM 689 CA PRO A 52 -8.092 -9.075 3.640 1.00 1.00 C ATOM 690 C PRO A 52 -6.623 -8.491 3.762 1.00 1.00 C ATOM 691 O PRO A 52 -5.771 -9.101 4.319 1.00 1.00 O ATOM 692 CB PRO A 52 -8.054 -10.480 3.095 1.00 1.00 C ATOM 693 CG PRO A 52 -9.412 -10.677 2.462 1.00 1.00 C ATOM 694 CD PRO A 52 -9.876 -9.266 1.978 1.00 1.00 C ATOM 0 HA PRO A 52 -8.498 -8.981 4.647 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.254 -10.601 2.364 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.876 -11.208 3.886 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.355 -11.376 1.627 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.119 -11.095 3.179 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.836 -9.184 0.892 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.904 -9.060 2.276 1.00 1.00 H new ATOM 702 N THR A 53 -6.431 -7.279 3.259 1.00 1.00 N ATOM 703 CA THR A 53 -5.196 -6.554 3.338 1.00 1.00 C ATOM 704 C THR A 53 -5.639 -5.120 3.525 1.00 1.00 C ATOM 705 O THR A 53 -6.785 -4.863 3.361 1.00 1.00 O ATOM 706 CB THR A 53 -4.330 -6.690 2.122 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.273 -5.529 1.507 1.00 1.00 O ATOM 708 CG2 THR A 53 -4.877 -7.722 1.175 1.00 1.00 C ATOM 0 H THR A 53 -7.165 -6.766 2.770 1.00 1.00 H new ATOM 0 HA THR A 53 -4.570 -6.936 4.144 1.00 1.00 H new ATOM 0 HB THR A 53 -3.337 -7.008 2.439 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.328 -5.669 0.539 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.227 -7.797 0.303 1.00 1.00 H new ATOM 0 HG22 THR A 53 -4.924 -8.688 1.677 1.00 1.00 H new ATOM 0 HG23 THR A 53 -5.878 -7.430 0.857 1.00 1.00 H new ATOM 716 N TYR A 54 -4.836 -4.233 3.820 1.00 1.00 N ATOM 717 CA TYR A 54 -5.365 -2.798 4.060 1.00 1.00 C ATOM 718 C TYR A 54 -4.386 -1.944 4.895 1.00 1.00 C ATOM 719 O TYR A 54 -3.845 -2.425 5.878 1.00 1.00 O ATOM 720 CB TYR A 54 -6.718 -2.914 4.900 1.00 1.00 C ATOM 721 CG TYR A 54 -6.826 -1.859 6.066 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.081 -2.034 7.261 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.658 -0.755 5.934 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.183 -1.099 8.291 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.753 0.179 6.976 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.017 0.004 8.149 1.00 1.00 C ATOM 727 OH TYR A 54 -7.119 0.930 9.171 1.00 1.00 O ATOM 0 H TYR A 54 -3.829 -4.358 3.924 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.502 -2.322 3.089 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.566 -2.788 4.227 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.791 -3.917 5.320 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.435 -2.892 7.373 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.232 -0.616 5.030 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.614 -1.232 9.199 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.399 1.038 6.870 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.743 1.639 8.909 1.00 1.00 H new ATOM 737 N CYS A 55 -4.158 -0.549 4.477 1.00 1.00 N ATOM 738 CA CYS A 55 -3.218 0.326 5.338 1.00 1.00 C ATOM 739 C CYS A 55 -3.664 1.778 5.727 1.00 1.00 C ATOM 740 O CYS A 55 -3.216 2.332 6.731 1.00 1.00 O ATOM 741 CB CYS A 55 -1.895 0.441 4.703 1.00 1.00 C ATOM 742 SG CYS A 55 -0.683 0.805 6.051 1.00 1.00 S ATOM 0 H CYS A 55 -4.568 -0.097 3.660 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.226 -0.229 6.276 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.633 -0.482 4.187 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.893 1.235 3.956 1.00 1.00 H new ATOM 747 N TRP A 56 -4.479 2.357 4.906 1.00 1.00 N ATOM 748 CA TRP A 56 -4.942 3.659 5.057 1.00 1.00 C ATOM 749 C TRP A 56 -6.463 3.703 5.363 1.00 1.00 C ATOM 750 O TRP A 56 -6.920 3.080 6.323 1.00 1.00 O ATOM 751 CB TRP A 56 -4.713 4.334 3.713 1.00 1.00 C ATOM 752 CG TRP A 56 -4.938 5.816 3.832 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.343 6.525 2.858 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.759 6.769 5.010 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.428 7.802 3.229 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.087 8.004 4.568 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.339 6.652 6.401 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -5.036 9.144 5.401 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.291 7.786 7.220 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.642 9.022 6.717 1.00 1.00 C ATOM 0 H TRP A 56 -4.847 1.893 4.075 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.425 4.143 5.885 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.697 4.139 3.368 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.389 3.915 2.967 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.583 6.148 1.875 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.712 8.553 2.601 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.064 5.687 6.801 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.306 10.112 5.007 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.978 7.693 8.249 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.608 9.894 7.354 1.00 1.00 H new ATOM 771 N ASP A 57 -7.301 4.386 4.364 1.00 1.00 N ATOM 772 CA ASP A 57 -8.699 4.417 4.397 1.00 1.00 C ATOM 773 C ASP A 57 -9.234 5.660 3.654 1.00 1.00 C ATOM 774 O ASP A 57 -10.411 5.963 3.790 1.00 1.00 O ATOM 775 CB ASP A 57 -9.215 4.436 5.823 1.00 1.00 C ATOM 776 CG ASP A 57 -9.802 3.067 6.253 1.00 1.00 C ATOM 777 OD1 ASP A 57 -10.004 2.223 5.394 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.037 2.899 7.436 1.00 1.00 O ATOM 0 H ASP A 57 -6.908 4.890 3.569 1.00 1.00 H new ATOM 0 HA ASP A 57 -9.054 3.513 3.902 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.403 4.709 6.497 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.982 5.204 5.920 1.00 1.00 H new ATOM 783 N GLU A 58 -8.365 6.427 2.927 1.00 1.00 N ATOM 784 CA GLU A 58 -8.833 7.610 2.348 1.00 1.00 C ATOM 785 C GLU A 58 -7.762 8.362 1.710 1.00 1.00 C ATOM 786 O GLU A 58 -7.310 9.294 2.306 1.00 1.00 O ATOM 787 CB GLU A 58 -9.333 8.495 3.556 1.00 1.00 C ATOM 788 CG GLU A 58 -8.201 8.501 4.620 1.00 1.00 C ATOM 789 CD GLU A 58 -8.693 9.117 5.918 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.361 10.134 5.851 1.00 1.00 O ATOM 791 OE2 GLU A 58 -8.393 8.565 6.963 1.00 1.00 O ATOM 0 H GLU A 58 -7.382 6.212 2.763 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.592 7.378 1.601 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.554 9.509 3.224 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.253 8.089 3.976 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.859 7.482 4.801 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.345 9.063 4.246 1.00 1.00 H new ATOM 798 N ALA A 59 -7.266 8.082 0.515 1.00 1.00 N ATOM 799 CA ALA A 59 -6.190 9.008 0.011 1.00 1.00 C ATOM 800 C ALA A 59 -6.287 9.239 -1.498 1.00 1.00 C ATOM 801 O ALA A 59 -5.387 9.578 -2.033 1.00 1.00 O ATOM 802 CB ALA A 59 -4.946 8.379 0.268 1.00 1.00 C ATOM 0 H ALA A 59 -7.536 7.309 -0.094 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.296 9.971 0.510 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.136 9.018 -0.083 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.838 8.211 1.340 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.907 7.423 -0.255 1.00 1.00 H new ATOM 808 N LYS A 60 -7.431 8.955 -2.180 1.00 1.00 N ATOM 809 CA LYS A 60 -7.444 9.108 -3.713 1.00 1.00 C ATOM 810 C LYS A 60 -8.216 10.252 -4.171 1.00 1.00 C ATOM 811 O LYS A 60 -8.033 10.656 -5.322 1.00 1.00 O ATOM 812 CB LYS A 60 -7.922 7.843 -4.385 1.00 1.00 C ATOM 813 CG LYS A 60 -8.863 7.179 -3.376 1.00 1.00 C ATOM 814 CD LYS A 60 -9.786 6.079 -4.041 1.00 1.00 C ATOM 815 CE LYS A 60 -11.278 6.344 -3.658 1.00 1.00 C ATOM 816 NZ LYS A 60 -11.422 6.258 -2.175 1.00 1.00 N ATOM 0 H LYS A 60 -8.306 8.641 -1.760 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.410 9.293 -4.003 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.440 8.065 -5.318 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -7.086 7.189 -4.632 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.274 6.722 -2.581 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.489 7.941 -2.911 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.669 6.099 -5.125 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.485 5.086 -3.706 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.588 7.328 -4.010 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.926 5.614 -4.142 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.414 6.060 -1.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -10.818 5.494 -1.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.135 7.161 -1.745 1.00 1.00 H new ATOM 872 N PRO A 65 -8.193 13.781 0.641 1.00 1.00 N ATOM 873 CA PRO A 65 -7.674 12.743 1.445 1.00 1.00 C ATOM 874 C PRO A 65 -6.199 12.665 1.308 1.00 1.00 C ATOM 875 O PRO A 65 -5.613 13.475 0.629 1.00 1.00 O ATOM 876 CB PRO A 65 -8.410 11.472 0.952 1.00 1.00 C ATOM 877 CG PRO A 65 -9.621 12.000 0.439 1.00 1.00 C ATOM 878 CD PRO A 65 -9.172 13.275 -0.255 1.00 1.00 C ATOM 0 HA PRO A 65 -7.839 12.893 2.512 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.841 10.944 0.187 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.586 10.765 1.762 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -10.100 11.310 -0.256 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -10.340 12.204 1.232 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -8.755 13.075 -1.242 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.997 13.974 -0.393 1.00 1.00 H new ATOM 886 N ASN A 66 -5.588 11.798 2.040 1.00 1.00 N ATOM 887 CA ASN A 66 -4.069 11.750 2.045 1.00 1.00 C ATOM 888 C ASN A 66 -3.504 11.940 0.610 1.00 1.00 C ATOM 889 O ASN A 66 -2.343 12.290 0.405 1.00 1.00 O ATOM 890 CB ASN A 66 -3.511 10.403 2.663 1.00 1.00 C ATOM 891 CG ASN A 66 -2.550 10.704 3.840 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.507 9.959 4.817 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.782 11.771 3.785 1.00 1.00 N ATOM 0 H ASN A 66 -6.048 11.113 2.640 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.735 12.572 2.678 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.339 9.785 3.011 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.988 9.833 1.895 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -1.148 11.983 4.555 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.821 12.386 2.972 1.00 1.00 H new ATOM 900 N ARG A 67 -4.410 11.720 -0.339 1.00 1.00 N ATOM 901 CA ARG A 67 -4.166 11.868 -1.777 1.00 1.00 C ATOM 902 C ARG A 67 -3.148 10.893 -2.347 1.00 1.00 C ATOM 903 O ARG A 67 -1.942 10.994 -2.113 1.00 1.00 O ATOM 904 CB ARG A 67 -3.693 13.308 -2.093 1.00 1.00 C ATOM 905 CG ARG A 67 -4.871 14.215 -2.222 1.00 1.00 C ATOM 906 CD ARG A 67 -5.354 14.187 -3.627 1.00 1.00 C ATOM 907 NE ARG A 67 -4.295 14.668 -4.598 1.00 1.00 N ATOM 908 CZ ARG A 67 -3.699 15.907 -4.515 1.00 1.00 C ATOM 909 NH1 ARG A 67 -4.064 16.781 -3.619 1.00 1.00 N ATOM 910 NH2 ARG A 67 -2.754 16.220 -5.362 1.00 1.00 N ATOM 0 H ARG A 67 -5.363 11.425 -0.126 1.00 1.00 H new ATOM 0 HA ARG A 67 -5.122 11.646 -2.252 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -3.034 13.665 -1.302 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -3.115 13.315 -3.017 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -5.665 13.899 -1.545 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -4.596 15.231 -1.939 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -5.652 13.172 -3.888 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -6.242 14.813 -3.718 1.00 1.00 H new ATOM 0 HE ARG A 67 -4.009 14.043 -5.351 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -4.807 16.554 -2.958 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -3.606 17.692 -3.579 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -2.465 15.550 -6.075 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -2.305 17.135 -5.310 1.00 1.00 H new ATOM 924 N CYS A 68 -3.651 10.064 -3.169 1.00 1.00 N ATOM 925 CA CYS A 68 -2.951 9.153 -3.923 1.00 1.00 C ATOM 926 C CYS A 68 -3.517 9.361 -5.191 1.00 1.00 C ATOM 927 O CYS A 68 -2.941 10.057 -6.024 1.00 1.00 O ATOM 928 CB CYS A 68 -3.070 7.585 -3.433 1.00 1.00 C ATOM 929 SG CYS A 68 -4.549 7.150 -2.470 1.00 1.00 S ATOM 0 H CYS A 68 -4.656 10.015 -3.334 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.874 9.307 -3.861 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -3.038 6.947 -4.317 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.190 7.346 -2.835 1.00 1.00 H new ATOM 934 N SER A 69 -4.639 8.834 -5.381 1.00 1.00 N ATOM 935 CA SER A 69 -5.357 9.006 -6.596 1.00 1.00 C ATOM 936 C SER A 69 -4.908 8.089 -7.642 1.00 1.00 C ATOM 937 O SER A 69 -5.706 7.568 -8.428 1.00 1.00 O ATOM 938 CB SER A 69 -5.192 10.476 -7.132 1.00 1.00 C ATOM 939 OG SER A 69 -4.066 10.541 -8.001 1.00 1.00 O ATOM 0 H SER A 69 -5.115 8.252 -4.692 1.00 1.00 H new ATOM 0 HA SER A 69 -6.401 8.794 -6.366 1.00 1.00 H new ATOM 0 HB2 SER A 69 -6.093 10.784 -7.663 1.00 1.00 H new ATOM 0 HB3 SER A 69 -5.062 11.166 -6.298 1.00 1.00 H new ATOM 0 HG SER A 69 -3.245 10.400 -7.484 1.00 1.00 H new ATOM 945 N ASN A 70 -3.578 7.996 -7.767 1.00 1.00 N ATOM 946 CA ASN A 70 -2.953 7.241 -8.889 1.00 1.00 C ATOM 947 C ASN A 70 -2.258 6.117 -8.459 1.00 1.00 C ATOM 948 O ASN A 70 -2.313 5.078 -9.089 1.00 1.00 O ATOM 949 CB ASN A 70 -1.957 8.170 -9.597 1.00 1.00 C ATOM 950 CG ASN A 70 -2.693 9.366 -10.182 1.00 1.00 C ATOM 951 OD1 ASN A 70 -2.479 10.500 -9.752 1.00 1.00 O ATOM 952 ND2 ASN A 70 -3.552 9.181 -11.141 1.00 1.00 N ATOM 0 H ASN A 70 -2.913 8.423 -7.122 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.754 6.908 -9.549 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -1.197 8.508 -8.892 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -1.439 7.628 -10.388 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -4.051 9.977 -11.539 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -3.727 8.240 -11.495 1.00 1.00 H new ATOM 959 N SER A 71 -1.544 6.286 -7.400 1.00 1.00 N ATOM 960 CA SER A 71 -0.777 5.257 -6.846 1.00 1.00 C ATOM 961 C SER A 71 0.334 5.831 -6.014 1.00 1.00 C ATOM 962 O SER A 71 1.306 6.282 -6.565 1.00 1.00 O ATOM 963 CB SER A 71 -0.168 4.363 -7.895 1.00 1.00 C ATOM 964 OG SER A 71 1.090 3.850 -7.420 1.00 1.00 O ATOM 0 H SER A 71 -1.485 7.169 -6.893 1.00 1.00 H new ATOM 0 HA SER A 71 -1.453 4.660 -6.234 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.845 3.540 -8.124 1.00 1.00 H new ATOM 0 HB3 SER A 71 -0.019 4.920 -8.820 1.00 1.00 H new ATOM 0 HG SER A 71 1.485 3.268 -8.102 1.00 1.00 H new ATOM 970 N LYS A 72 0.177 5.750 -4.632 1.00 1.00 N ATOM 971 CA LYS A 72 1.225 6.245 -3.672 1.00 1.00 C ATOM 972 C LYS A 72 0.756 6.718 -2.361 1.00 1.00 C ATOM 973 O LYS A 72 1.337 7.638 -1.807 1.00 1.00 O ATOM 974 CB LYS A 72 1.866 7.556 -4.358 1.00 1.00 C ATOM 975 CG LYS A 72 0.717 8.501 -4.840 1.00 1.00 C ATOM 976 CD LYS A 72 1.038 10.001 -4.451 1.00 1.00 C ATOM 977 CE LYS A 72 0.275 10.969 -5.385 1.00 1.00 C ATOM 978 NZ LYS A 72 0.275 12.350 -4.785 1.00 1.00 N ATOM 0 H LYS A 72 -0.648 5.355 -4.180 1.00 1.00 H new ATOM 0 HA LYS A 72 1.879 5.392 -3.490 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.506 8.077 -3.646 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.494 7.269 -5.201 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.597 8.416 -5.920 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -0.227 8.196 -4.389 1.00 1.00 H new ATOM 0 HD2 LYS A 72 0.754 10.184 -3.415 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.110 10.182 -4.525 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.745 10.988 -6.368 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.749 10.623 -5.527 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -0.238 13.001 -5.413 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -0.192 12.325 -3.856 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 1.255 12.679 -4.671 1.00 1.00 H new ATOM 992 N GLN A 73 -0.244 6.246 -1.921 1.00 1.00 N ATOM 993 CA GLN A 73 -0.809 6.736 -0.742 1.00 1.00 C ATOM 994 C GLN A 73 -2.185 6.214 -0.627 1.00 1.00 C ATOM 995 O GLN A 73 -2.973 6.900 -0.304 1.00 1.00 O ATOM 996 CB GLN A 73 -0.943 8.439 -0.865 1.00 1.00 C ATOM 997 CG GLN A 73 -0.116 9.161 0.219 1.00 1.00 C ATOM 998 CD GLN A 73 -0.590 8.748 1.623 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.347 7.786 1.765 1.00 1.00 O ATOM 1000 NE2 GLN A 73 -0.187 9.438 2.681 1.00 1.00 N ATOM 0 H GLN A 73 -0.754 5.474 -2.351 1.00 1.00 H new ATOM 0 HA GLN A 73 -0.194 6.442 0.109 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.607 8.759 -1.851 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.990 8.728 -0.775 1.00 1.00 H new ATOM 0 HG2 GLN A 73 0.940 8.920 0.100 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -0.212 10.240 0.099 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.440 10.234 2.562 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.504 9.173 3.614 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.437 4.973 -0.807 1.00 1.00 N ATOM 1010 CA CYS A 74 -4.012 4.476 -0.554 1.00 1.00 C ATOM 1011 C CYS A 74 -3.975 3.559 0.531 1.00 1.00 C ATOM 1012 O CYS A 74 -3.143 3.767 1.382 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.589 3.903 -1.829 1.00 1.00 C ATOM 1014 SG CYS A 74 -5.078 5.258 -3.108 1.00 1.00 S ATOM 0 H CYS A 74 -1.770 4.255 -1.090 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.677 5.299 -0.292 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.860 3.230 -2.281 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.468 3.305 -1.587 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.897 2.439 0.633 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.785 1.542 1.916 1.00 1.00 C ATOM 1021 C ASP A 75 -4.010 0.240 1.665 1.00 1.00 C ATOM 1022 O ASP A 75 -2.782 0.271 1.673 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.246 1.452 2.487 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.373 0.687 3.755 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.327 -0.417 3.701 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.558 1.280 4.757 1.00 1.00 O ATOM 0 H ASP A 75 -5.610 2.178 -0.048 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.155 1.965 2.699 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.620 2.463 2.650 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.887 0.992 1.735 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.655 -0.867 1.511 1.00 1.00 N ATOM 1032 CA GLY A 76 -3.865 -2.148 1.338 1.00 1.00 C ATOM 1033 C GLY A 76 -4.472 -3.253 0.500 1.00 1.00 C ATOM 1034 O GLY A 76 -3.753 -4.135 0.121 1.00 1.00 O ATOM 0 H GLY A 76 -5.670 -0.964 1.494 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.901 -1.889 0.900 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.666 -2.553 2.330 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.703 -3.182 0.130 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.286 -4.232 -0.742 1.00 1.00 C ATOM 1040 C ALA A 77 -6.789 -3.605 -2.001 1.00 1.00 C ATOM 1041 O ALA A 77 -7.898 -3.891 -2.457 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.449 -4.878 -0.050 1.00 1.00 C ATOM 0 H ALA A 77 -6.345 -2.435 0.394 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.519 -4.975 -0.962 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -7.874 -5.648 -0.694 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.112 -5.330 0.883 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.208 -4.126 0.165 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.033 -2.683 -2.504 1.00 1.00 N ATOM 1049 CA ARG A 78 -6.382 -1.924 -3.602 1.00 1.00 C ATOM 1050 C ARG A 78 -5.271 -1.911 -4.628 1.00 1.00 C ATOM 1051 O ARG A 78 -4.148 -2.146 -4.307 1.00 1.00 O ATOM 1052 CB ARG A 78 -6.558 -0.569 -3.123 1.00 1.00 C ATOM 1053 CG ARG A 78 -7.633 -0.568 -2.009 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.049 0.820 -1.741 1.00 1.00 C ATOM 1055 NE ARG A 78 -8.844 1.343 -2.881 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.090 1.872 -2.719 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -10.643 1.937 -1.531 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -10.744 2.318 -3.760 1.00 1.00 N ATOM 0 H ARG A 78 -5.117 -2.448 -2.123 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.279 -2.333 -4.067 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -5.616 -0.180 -2.738 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -6.862 0.084 -3.941 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.492 -1.165 -2.315 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.235 -1.023 -1.102 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.640 0.861 -0.826 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.172 1.447 -1.581 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.444 1.305 -3.818 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.140 1.589 -0.715 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -11.576 2.335 -1.424 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.322 2.269 -4.687 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -11.677 2.715 -3.645 1.00 1.00 H new ATOM 1072 N THR A 79 -5.584 -1.533 -5.834 1.00 1.00 N ATOM 1073 CA THR A 79 -4.550 -1.388 -6.865 1.00 1.00 C ATOM 1074 C THR A 79 -4.848 -0.191 -7.592 1.00 1.00 C ATOM 1075 O THR A 79 -5.660 -0.246 -8.380 1.00 1.00 O ATOM 1076 CB THR A 79 -4.498 -2.563 -7.741 1.00 1.00 C ATOM 1077 OG1 THR A 79 -4.640 -3.745 -6.959 1.00 1.00 O ATOM 1078 CG2 THR A 79 -3.123 -2.548 -8.418 1.00 1.00 C ATOM 0 H THR A 79 -6.532 -1.317 -6.143 1.00 1.00 H new ATOM 0 HA THR A 79 -3.561 -1.316 -6.412 1.00 1.00 H new ATOM 0 HB THR A 79 -5.298 -2.543 -8.481 1.00 1.00 H new ATOM 0 HG1 THR A 79 -4.607 -4.530 -7.544 1.00 1.00 H new ATOM 0 HG21 THR A 79 -3.036 -3.407 -9.083 1.00 1.00 H new ATOM 0 HG22 THR A 79 -3.011 -1.630 -8.995 1.00 1.00 H new ATOM 0 HG23 THR A 79 -2.343 -2.596 -7.658 1.00 1.00 H new ATOM 1086 N CYS A 80 -4.231 1.069 -7.185 1.00 1.00 N ATOM 1087 CA CYS A 80 -4.730 2.299 -7.816 1.00 1.00 C ATOM 1088 C CYS A 80 -4.886 2.190 -9.236 1.00 1.00 C ATOM 1089 O CYS A 80 -4.168 2.802 -10.029 1.00 1.00 O ATOM 1090 CB CYS A 80 -4.020 3.774 -7.500 1.00 1.00 C ATOM 1091 SG CYS A 80 -4.501 4.643 -5.967 1.00 1.00 S ATOM 0 H CYS A 80 -3.483 1.180 -6.501 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.678 2.340 -7.279 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.940 3.627 -7.476 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -4.234 4.435 -8.340 1.00 1.00 H new ATOM 1136 N PHE A 85 -2.995 0.881 -4.982 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.373 1.836 -4.114 1.00 1.00 C ATOM 1138 C PHE A 85 -4.924 1.993 -4.222 1.00 1.00 C ATOM 1139 O PHE A 85 -5.583 1.779 -3.293 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.487 3.106 -4.334 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.084 2.918 -3.631 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -0.993 2.569 -2.256 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.104 3.061 -4.377 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.258 2.377 -1.666 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.352 2.863 -3.766 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.424 2.522 -2.419 1.00 1.00 C ATOM 0 HA PHE A 85 -3.196 1.588 -3.067 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.347 3.281 -5.401 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.990 3.984 -3.930 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -1.891 2.452 -1.668 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.053 3.324 -5.423 1.00 1.00 H new ATOM 0 HE1 PHE A 85 0.324 2.115 -0.620 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.258 2.976 -4.343 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.387 2.369 -1.954 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.433 2.493 -5.297 1.00 1.00 N ATOM 1157 CA CYS A 86 -7.010 2.757 -5.392 1.00 1.00 C ATOM 1158 C CYS A 86 -7.753 2.285 -6.550 1.00 1.00 C ATOM 1159 O CYS A 86 -7.661 2.806 -7.658 1.00 1.00 O ATOM 1160 CB CYS A 86 -7.387 4.219 -5.206 1.00 1.00 C ATOM 1161 SG CYS A 86 -6.355 5.268 -6.279 1.00 1.00 S ATOM 0 H CYS A 86 -4.900 2.747 -6.129 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.315 2.120 -4.562 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -8.440 4.365 -5.445 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -7.254 4.508 -4.164 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.576 1.269 -6.241 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.387 0.672 -7.120 1.00 1.00 C ATOM 1168 C GLN A 87 -10.085 -0.461 -6.385 1.00 1.00 C ATOM 1169 O GLN A 87 -11.313 -0.509 -6.307 1.00 1.00 O ATOM 1170 CB GLN A 87 -8.545 0.229 -8.269 1.00 1.00 C ATOM 1171 CG GLN A 87 -9.156 -0.942 -9.016 1.00 1.00 C ATOM 1172 CD GLN A 87 -8.933 -2.260 -8.267 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -7.872 -2.469 -7.680 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -9.874 -3.160 -8.257 1.00 1.00 N ATOM 0 H GLN A 87 -8.640 0.877 -5.302 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.163 1.321 -7.524 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -8.406 1.063 -8.957 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -7.557 -0.052 -7.905 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -10.225 -0.773 -9.149 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -8.718 -1.009 -10.012 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -10.753 -2.985 -8.744 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -9.732 -4.040 -7.762 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.307 -1.350 -5.871 1.00 1.00 N ATOM 1184 CA GLY A 88 -9.843 -2.522 -5.133 1.00 1.00 C ATOM 1185 C GLY A 88 -10.819 -2.147 -3.977 1.00 1.00 C ATOM 1186 O GLY A 88 -11.899 -1.604 -4.209 1.00 1.00 O ATOM 0 H GLY A 88 -8.289 -1.318 -5.930 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.361 -3.175 -5.835 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.010 -3.092 -4.722 1.00 1.00 H new ATOM 1190 N THR A 89 -10.443 -2.565 -2.740 1.00 1.00 N ATOM 1191 CA THR A 89 -11.314 -2.398 -1.549 1.00 1.00 C ATOM 1192 C THR A 89 -10.623 -1.915 -0.257 1.00 1.00 C ATOM 1193 O THR A 89 -10.974 -0.878 0.299 1.00 1.00 O ATOM 1194 CB THR A 89 -11.937 -3.839 -1.296 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.189 -3.920 -1.962 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.156 -4.145 0.230 1.00 1.00 C ATOM 0 H THR A 89 -9.550 -3.016 -2.543 1.00 1.00 H new ATOM 0 HA THR A 89 -12.033 -1.608 -1.767 1.00 1.00 H new ATOM 0 HB THR A 89 -11.230 -4.574 -1.681 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.582 -4.806 -1.814 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.583 -5.141 0.344 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.200 -4.098 0.751 1.00 1.00 H new ATOM 0 HG23 THR A 89 -12.837 -3.408 0.655 1.00 1.00 H new ATOM 1204 N ALA A 90 -9.798 -2.740 0.231 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.149 -2.562 1.531 1.00 1.00 C ATOM 1206 C ALA A 90 -9.992 -3.354 2.538 1.00 1.00 C ATOM 1207 O ALA A 90 -11.158 -3.055 2.793 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.019 -1.146 1.968 1.00 1.00 C ATOM 0 H ALA A 90 -9.521 -3.597 -0.248 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.121 -2.918 1.460 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.527 -1.109 2.940 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.425 -0.594 1.240 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.009 -0.697 2.045 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.363 -4.308 3.088 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.026 -5.250 4.200 1.00 1.00 C ATOM 1216 C GLY A 91 -8.957 -5.943 5.383 1.00 1.00 C ATOM 1217 O GLY A 91 -9.428 -6.407 6.419 1.00 1.00 O ATOM 0 H GLY A 91 -8.396 -4.546 2.866 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.785 -4.671 4.726 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.542 -6.064 3.691 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.582 -5.870 5.178 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.507 -6.363 6.242 1.00 1.00 C ATOM 1223 C HIS A 92 -6.610 -7.777 6.686 1.00 1.00 C ATOM 1224 O HIS A 92 -7.677 -8.177 7.158 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.682 -5.480 7.603 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.654 -6.136 8.617 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.989 -5.773 8.706 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.473 -7.130 9.548 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.554 -6.541 9.661 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.671 -7.385 10.204 1.00 1.00 N ATOM 0 H HIS A 92 -7.167 -5.493 4.326 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.555 -6.250 5.724 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.708 -5.347 8.073 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -7.049 -4.487 7.343 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.458 -5.057 8.151 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.539 -7.637 9.741 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.593 -6.481 9.951 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.594 -8.573 6.556 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.736 -10.048 7.029 1.00 1.00 C ATOM 1241 C ALA A 93 -4.981 -10.259 8.357 1.00 1.00 C ATOM 1242 O ALA A 93 -3.764 -10.347 8.384 1.00 1.00 O ATOM 1243 CB ALA A 93 -5.172 -11.048 5.926 1.00 1.00 C ATOM 0 H ALA A 93 -4.688 -8.317 6.163 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.795 -10.256 7.183 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -5.280 -12.075 6.276 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.731 -10.920 4.999 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -4.118 -10.835 5.747 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.739 -10.340 9.452 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.143 -10.542 10.780 1.00 1.00 C ATOM 1251 C ALA A 94 -4.398 -11.878 10.831 1.00 1.00 C ATOM 1252 O ALA A 94 -4.947 -12.820 11.376 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.260 -10.527 11.878 1.00 1.00 C ATOM 0 H ALA A 94 -6.757 -10.270 9.450 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.438 -9.732 10.969 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.808 -10.677 12.859 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.776 -9.567 11.859 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.974 -11.326 11.681 1.00 1.00 H new