USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 636 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 48 THR OG1 : rot -141:sc= 0.0584 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.0111 USER MOD Set 2.1: A 63 THR OG1 : rot 139:sc= 0.992 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 157:sc= 1.09 (180deg=-1.17) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= -0.176 USER MOD Set 3.2: A 30 THR OG1 : rot 180:sc= 0.00432 USER MOD Set 4.1: A 11 THR OG1 : rot 173:sc= 0.881 USER MOD Set 4.2: A 21 SER OG : rot 77:sc= 1.14 USER MOD Single : A 5 THR OG1 : rot 15:sc= 0.508 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= -1.09 (180deg=-1.68!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0899) USER MOD Single : A 26 ASN : amide:sc=-0.00763 X(o=-0.0076,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -68:sc= 0.919 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 45 THR OG1 : rot 169:sc= -0.251 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 25:sc= 0.0354 USER MOD Single : A 54 THR OG1 : rot 86:sc= 0.328 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 57 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.32) USER MOD Single : A 58 SER OG : rot 53:sc= 0.0666 USER MOD Single : A 61 HIS : no HE2:sc= -2.03 X(o=-2,f=-2!) USER MOD Single : A 66 ASN : amide:sc= -1.72 K(o=-1.7,f=-0.58) USER MOD Single : A 70 ASN : amide:sc= -1.2 X(o=-1.2,f=-1!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.95 K(o=-1.9,f=-3.4) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 94 CYS SG : rot 32:sc= 0.143 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0329 USER MOD Single : A 101 CYS SG : rot 180:sc= 0.0338 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.557 14.370 20.741 1.00 41.41 N ATOM 47 CA THR A 5 -17.363 12.954 21.018 1.00 22.44 C ATOM 48 C THR A 5 -17.627 12.109 19.776 1.00 41.13 C ATOM 49 O THR A 5 -18.358 12.522 18.877 1.00 55.23 O ATOM 50 CB THR A 5 -18.283 12.472 22.157 1.00 2.55 C ATOM 51 OG1 THR A 5 -18.483 13.528 23.104 1.00 33.11 O ATOM 52 CG2 THR A 5 -17.689 11.260 22.857 1.00 20.20 C ATOM 0 HA THR A 5 -16.324 12.832 21.324 1.00 22.44 H new ATOM 0 HB THR A 5 -19.242 12.186 21.724 1.00 2.55 H new ATOM 0 HG1 THR A 5 -18.204 14.380 22.708 1.00 33.11 H new ATOM 0 HG21 THR A 5 -18.356 10.938 23.657 1.00 20.20 H new ATOM 0 HG22 THR A 5 -17.566 10.449 22.139 1.00 20.20 H new ATOM 0 HG23 THR A 5 -16.718 11.522 23.278 1.00 20.20 H new ATOM 60 N ALA A 6 -17.027 10.924 19.734 1.00 32.42 N ATOM 61 CA ALA A 6 -17.199 10.021 18.603 1.00 33.22 C ATOM 62 C ALA A 6 -17.730 8.665 19.059 1.00 64.44 C ATOM 63 O ALA A 6 -17.060 7.938 19.794 1.00 42.23 O ATOM 64 CB ALA A 6 -15.884 9.851 17.859 1.00 34.23 C ATOM 0 H ALA A 6 -16.418 10.567 20.470 1.00 32.42 H new ATOM 0 HA ALA A 6 -17.932 10.461 17.927 1.00 33.22 H new ATOM 0 HB1 ALA A 6 -16.027 9.174 17.017 1.00 34.23 H new ATOM 0 HB2 ALA A 6 -15.546 10.820 17.492 1.00 34.23 H new ATOM 0 HB3 ALA A 6 -15.135 9.437 18.534 1.00 34.23 H new ATOM 70 N THR A 7 -18.939 8.331 18.620 1.00 12.15 N ATOM 71 CA THR A 7 -19.561 7.064 18.984 1.00 11.20 C ATOM 72 C THR A 7 -19.182 5.962 18.000 1.00 61.14 C ATOM 73 O THR A 7 -19.266 6.145 16.786 1.00 23.24 O ATOM 74 CB THR A 7 -21.096 7.185 19.035 1.00 61.03 C ATOM 75 OG1 THR A 7 -21.471 8.538 19.315 1.00 70.41 O ATOM 76 CG2 THR A 7 -21.677 6.262 20.095 1.00 61.22 C ATOM 0 H THR A 7 -19.507 8.920 18.012 1.00 12.15 H new ATOM 0 HA THR A 7 -19.191 6.805 19.976 1.00 11.20 H new ATOM 0 HB THR A 7 -21.494 6.892 18.064 1.00 61.03 H new ATOM 0 HG1 THR A 7 -22.448 8.607 19.344 1.00 70.41 H new ATOM 0 HG21 THR A 7 -22.762 6.365 20.112 1.00 61.22 H new ATOM 0 HG22 THR A 7 -21.414 5.230 19.862 1.00 61.22 H new ATOM 0 HG23 THR A 7 -21.272 6.528 21.071 1.00 61.22 H new ATOM 84 N PHE A 8 -18.765 4.818 18.533 1.00 14.32 N ATOM 85 CA PHE A 8 -18.373 3.686 17.701 1.00 54.53 C ATOM 86 C PHE A 8 -19.599 2.979 17.132 1.00 35.45 C ATOM 87 O PHE A 8 -20.603 2.807 17.821 1.00 31.53 O ATOM 88 CB PHE A 8 -17.529 2.699 18.510 1.00 61.03 C ATOM 89 CG PHE A 8 -17.244 1.417 17.782 1.00 52.04 C ATOM 90 CD1 PHE A 8 -16.641 1.432 16.535 1.00 53.23 C ATOM 91 CD2 PHE A 8 -17.577 0.196 18.346 1.00 33.41 C ATOM 92 CE1 PHE A 8 -16.378 0.254 15.863 1.00 2.33 C ATOM 93 CE2 PHE A 8 -17.316 -0.986 17.679 1.00 51.53 C ATOM 94 CZ PHE A 8 -16.715 -0.957 16.435 1.00 52.14 C ATOM 0 H PHE A 8 -18.690 4.650 19.536 1.00 14.32 H new ATOM 0 HA PHE A 8 -17.778 4.066 16.871 1.00 54.53 H new ATOM 0 HB2 PHE A 8 -16.585 3.174 18.776 1.00 61.03 H new ATOM 0 HB3 PHE A 8 -18.045 2.471 19.442 1.00 61.03 H new ATOM 0 HD1 PHE A 8 -16.373 2.376 16.083 1.00 53.23 H new ATOM 0 HD2 PHE A 8 -18.046 0.168 19.318 1.00 33.41 H new ATOM 0 HE1 PHE A 8 -15.909 0.280 14.891 1.00 2.33 H new ATOM 0 HE2 PHE A 8 -17.581 -1.931 18.129 1.00 51.53 H new ATOM 0 HZ PHE A 8 -16.509 -1.879 15.911 1.00 52.14 H new ATOM 104 N ALA A 9 -19.507 2.571 15.871 1.00 5.20 N ATOM 105 CA ALA A 9 -20.607 1.881 15.209 1.00 44.03 C ATOM 106 C ALA A 9 -20.094 0.747 14.327 1.00 51.14 C ATOM 107 O ALA A 9 -18.898 0.659 14.045 1.00 70.34 O ATOM 108 CB ALA A 9 -21.427 2.863 14.385 1.00 64.44 C ATOM 0 H ALA A 9 -18.682 2.706 15.287 1.00 5.20 H new ATOM 0 HA ALA A 9 -21.245 1.447 15.978 1.00 44.03 H new ATOM 0 HB1 ALA A 9 -22.245 2.334 13.896 1.00 64.44 H new ATOM 0 HB2 ALA A 9 -21.833 3.635 15.038 1.00 64.44 H new ATOM 0 HB3 ALA A 9 -20.791 3.324 13.630 1.00 64.44 H new ATOM 114 N LYS A 10 -21.004 -0.118 13.896 1.00 13.43 N ATOM 115 CA LYS A 10 -20.644 -1.246 13.045 1.00 21.23 C ATOM 116 C LYS A 10 -21.155 -1.042 11.623 1.00 43.33 C ATOM 117 O LYS A 10 -22.018 -0.198 11.377 1.00 43.44 O ATOM 118 CB LYS A 10 -21.212 -2.546 13.620 1.00 3.35 C ATOM 119 CG LYS A 10 -20.202 -3.680 13.674 1.00 3.13 C ATOM 120 CD LYS A 10 -20.412 -4.668 12.539 1.00 62.42 C ATOM 121 CE LYS A 10 -19.133 -5.427 12.218 1.00 4.44 C ATOM 122 NZ LYS A 10 -18.664 -6.240 13.374 1.00 64.52 N ATOM 0 H LYS A 10 -21.997 -0.060 14.122 1.00 13.43 H new ATOM 0 HA LYS A 10 -19.556 -1.312 13.015 1.00 21.23 H new ATOM 0 HB2 LYS A 10 -21.586 -2.356 14.626 1.00 3.35 H new ATOM 0 HB3 LYS A 10 -22.064 -2.858 13.017 1.00 3.35 H new ATOM 0 HG2 LYS A 10 -19.193 -3.272 13.621 1.00 3.13 H new ATOM 0 HG3 LYS A 10 -20.286 -4.198 14.629 1.00 3.13 H new ATOM 0 HD2 LYS A 10 -21.197 -5.374 12.810 1.00 62.42 H new ATOM 0 HD3 LYS A 10 -20.754 -4.137 11.651 1.00 62.42 H new ATOM 0 HE2 LYS A 10 -19.303 -6.079 11.361 1.00 4.44 H new ATOM 0 HE3 LYS A 10 -18.354 -4.721 11.931 1.00 4.44 H new ATOM 0 HZ1 LYS A 10 -18.032 -6.993 13.035 1.00 64.52 H new ATOM 0 HZ2 LYS A 10 -18.150 -5.630 14.041 1.00 64.52 H new ATOM 0 HZ3 LYS A 10 -19.483 -6.665 13.854 1.00 64.52 H new ATOM 136 N THR A 11 -20.618 -1.818 10.687 1.00 33.24 N ATOM 137 CA THR A 11 -21.020 -1.721 9.290 1.00 32.22 C ATOM 138 C THR A 11 -21.451 -3.079 8.746 1.00 14.00 C ATOM 139 O THR A 11 -22.570 -3.237 8.259 1.00 12.41 O ATOM 140 CB THR A 11 -19.880 -1.169 8.415 1.00 0.25 C ATOM 141 OG1 THR A 11 -19.025 -0.329 9.197 1.00 14.31 O ATOM 142 CG2 THR A 11 -20.434 -0.380 7.238 1.00 24.00 C ATOM 0 H THR A 11 -19.903 -2.521 10.872 1.00 33.24 H new ATOM 0 HA THR A 11 -21.864 -1.033 9.251 1.00 32.22 H new ATOM 0 HB THR A 11 -19.307 -2.013 8.030 1.00 0.25 H new ATOM 0 HG1 THR A 11 -18.244 -0.070 8.664 1.00 14.31 H new ATOM 0 HG21 THR A 11 -19.610 -0.000 6.634 1.00 24.00 H new ATOM 0 HG22 THR A 11 -21.061 -1.030 6.628 1.00 24.00 H new ATOM 0 HG23 THR A 11 -21.028 0.456 7.608 1.00 24.00 H new ATOM 150 N SER A 12 -20.556 -4.057 8.834 1.00 73.41 N ATOM 151 CA SER A 12 -20.843 -5.402 8.348 1.00 14.51 C ATOM 152 C SER A 12 -19.653 -6.330 8.582 1.00 44.10 C ATOM 153 O SER A 12 -18.515 -5.993 8.257 1.00 3.32 O ATOM 154 CB SER A 12 -21.189 -5.366 6.859 1.00 1.43 C ATOM 155 OG SER A 12 -20.672 -6.501 6.186 1.00 14.00 O ATOM 0 H SER A 12 -19.626 -3.944 9.237 1.00 73.41 H new ATOM 0 HA SER A 12 -21.698 -5.787 8.904 1.00 14.51 H new ATOM 0 HB2 SER A 12 -22.271 -5.328 6.735 1.00 1.43 H new ATOM 0 HB3 SER A 12 -20.785 -4.458 6.411 1.00 1.43 H new ATOM 0 HG SER A 12 -20.908 -6.454 5.236 1.00 14.00 H new ATOM 161 N ASP A 13 -19.927 -7.499 9.149 1.00 24.42 N ATOM 162 CA ASP A 13 -18.882 -8.477 9.427 1.00 74.10 C ATOM 163 C ASP A 13 -19.094 -9.747 8.609 1.00 23.10 C ATOM 164 O ASP A 13 -20.176 -10.334 8.626 1.00 5.33 O ATOM 165 CB ASP A 13 -18.854 -8.816 10.918 1.00 0.20 C ATOM 166 CG ASP A 13 -20.244 -8.922 11.514 1.00 33.22 C ATOM 167 OD1 ASP A 13 -20.895 -9.969 11.317 1.00 62.50 O ATOM 168 OD2 ASP A 13 -20.679 -7.959 12.179 1.00 5.11 O ATOM 0 H ASP A 13 -20.864 -7.793 9.425 1.00 24.42 H new ATOM 0 HA ASP A 13 -17.925 -8.039 9.144 1.00 74.10 H new ATOM 0 HB2 ASP A 13 -18.327 -9.759 11.063 1.00 0.20 H new ATOM 0 HB3 ASP A 13 -18.291 -8.050 11.451 1.00 0.20 H new ATOM 173 N TRP A 14 -18.056 -10.164 7.894 1.00 1.35 N ATOM 174 CA TRP A 14 -18.130 -11.364 7.068 1.00 15.32 C ATOM 175 C TRP A 14 -17.268 -12.479 7.650 1.00 13.13 C ATOM 176 O TRP A 14 -16.135 -12.691 7.219 1.00 63.50 O ATOM 177 CB TRP A 14 -17.684 -11.052 5.638 1.00 31.43 C ATOM 178 CG TRP A 14 -16.429 -10.234 5.572 1.00 71.30 C ATOM 179 CD1 TRP A 14 -15.159 -10.697 5.377 1.00 63.33 C ATOM 180 CD2 TRP A 14 -16.325 -8.813 5.702 1.00 63.24 C ATOM 181 NE1 TRP A 14 -14.272 -9.648 5.379 1.00 52.40 N ATOM 182 CE2 TRP A 14 -14.962 -8.481 5.575 1.00 72.23 C ATOM 183 CE3 TRP A 14 -17.251 -7.787 5.912 1.00 61.35 C ATOM 184 CZ2 TRP A 14 -14.505 -7.169 5.653 1.00 70.35 C ATOM 185 CZ3 TRP A 14 -16.796 -6.485 5.989 1.00 64.41 C ATOM 186 CH2 TRP A 14 -15.433 -6.184 5.859 1.00 63.13 C ATOM 0 H TRP A 14 -17.153 -9.690 7.869 1.00 1.35 H new ATOM 0 HA TRP A 14 -19.166 -11.701 7.053 1.00 15.32 H new ATOM 0 HB2 TRP A 14 -17.528 -11.988 5.101 1.00 31.43 H new ATOM 0 HB3 TRP A 14 -18.484 -10.519 5.124 1.00 31.43 H new ATOM 0 HD1 TRP A 14 -14.892 -11.735 5.241 1.00 63.33 H new ATOM 0 HE1 TRP A 14 -13.263 -9.726 5.255 1.00 52.40 H new ATOM 0 HE3 TRP A 14 -18.303 -8.008 6.012 1.00 61.35 H new ATOM 0 HZ2 TRP A 14 -13.455 -6.936 5.554 1.00 70.35 H new ATOM 0 HZ3 TRP A 14 -17.503 -5.685 6.152 1.00 64.41 H new ATOM 0 HH2 TRP A 14 -15.109 -5.156 5.923 1.00 63.13 H new ATOM 197 N GLY A 15 -17.813 -13.192 8.632 1.00 44.23 N ATOM 198 CA GLY A 15 -17.079 -14.277 9.256 1.00 24.34 C ATOM 199 C GLY A 15 -15.975 -13.781 10.168 1.00 61.32 C ATOM 200 O GLY A 15 -16.179 -13.622 11.373 1.00 32.21 O ATOM 0 H GLY A 15 -18.749 -13.037 9.006 1.00 44.23 H new ATOM 0 HA2 GLY A 15 -17.769 -14.896 9.829 1.00 24.34 H new ATOM 0 HA3 GLY A 15 -16.649 -14.913 8.482 1.00 24.34 H new ATOM 204 N THR A 16 -14.802 -13.536 9.595 1.00 53.15 N ATOM 205 CA THR A 16 -13.659 -13.058 10.365 1.00 64.12 C ATOM 206 C THR A 16 -13.465 -11.557 10.184 1.00 54.43 C ATOM 207 O THR A 16 -12.779 -10.910 10.974 1.00 74.13 O ATOM 208 CB THR A 16 -12.364 -13.785 9.960 1.00 3.15 C ATOM 209 OG1 THR A 16 -11.303 -13.431 10.853 1.00 61.15 O ATOM 210 CG2 THR A 16 -11.971 -13.436 8.533 1.00 42.44 C ATOM 0 H THR A 16 -14.617 -13.660 8.600 1.00 53.15 H new ATOM 0 HA THR A 16 -13.872 -13.271 11.413 1.00 64.12 H new ATOM 0 HB THR A 16 -12.543 -14.859 10.018 1.00 3.15 H new ATOM 0 HG1 THR A 16 -10.483 -13.899 10.589 1.00 61.15 H new ATOM 0 HG21 THR A 16 -11.053 -13.962 8.270 1.00 42.44 H new ATOM 0 HG22 THR A 16 -12.768 -13.735 7.853 1.00 42.44 H new ATOM 0 HG23 THR A 16 -11.809 -12.361 8.453 1.00 42.44 H new ATOM 218 N GLY A 17 -14.073 -11.007 9.137 1.00 12.43 N ATOM 219 CA GLY A 17 -13.953 -9.586 8.871 1.00 53.02 C ATOM 220 C GLY A 17 -15.032 -8.774 9.562 1.00 54.21 C ATOM 221 O GLY A 17 -16.110 -9.287 9.858 1.00 21.11 O ATOM 0 H GLY A 17 -14.647 -11.521 8.468 1.00 12.43 H new ATOM 0 HA2 GLY A 17 -12.974 -9.239 9.201 1.00 53.02 H new ATOM 0 HA3 GLY A 17 -14.006 -9.415 7.796 1.00 53.02 H new ATOM 225 N PHE A 18 -14.739 -7.504 9.820 1.00 42.12 N ATOM 226 CA PHE A 18 -15.691 -6.620 10.483 1.00 11.24 C ATOM 227 C PHE A 18 -15.612 -5.208 9.911 1.00 11.22 C ATOM 228 O PHE A 18 -14.534 -4.728 9.562 1.00 44.11 O ATOM 229 CB PHE A 18 -15.427 -6.588 11.989 1.00 75.12 C ATOM 230 CG PHE A 18 -14.244 -5.745 12.373 1.00 25.10 C ATOM 231 CD1 PHE A 18 -14.396 -4.391 12.627 1.00 21.35 C ATOM 232 CD2 PHE A 18 -12.981 -6.305 12.478 1.00 62.21 C ATOM 233 CE1 PHE A 18 -13.310 -3.613 12.980 1.00 44.45 C ATOM 234 CE2 PHE A 18 -11.893 -5.531 12.831 1.00 35.03 C ATOM 235 CZ PHE A 18 -12.057 -4.183 13.082 1.00 12.53 C ATOM 0 H PHE A 18 -13.851 -7.064 9.580 1.00 42.12 H new ATOM 0 HA PHE A 18 -16.694 -7.009 10.306 1.00 11.24 H new ATOM 0 HB2 PHE A 18 -16.314 -6.209 12.497 1.00 75.12 H new ATOM 0 HB3 PHE A 18 -15.268 -7.606 12.344 1.00 75.12 H new ATOM 0 HD1 PHE A 18 -15.374 -3.939 12.548 1.00 21.35 H new ATOM 0 HD2 PHE A 18 -12.846 -7.358 12.282 1.00 62.21 H new ATOM 0 HE1 PHE A 18 -13.442 -2.559 13.176 1.00 44.45 H new ATOM 0 HE2 PHE A 18 -10.914 -5.980 12.911 1.00 35.03 H new ATOM 0 HZ PHE A 18 -11.207 -3.576 13.357 1.00 12.53 H new ATOM 245 N GLY A 19 -16.762 -4.547 9.819 1.00 33.14 N ATOM 246 CA GLY A 19 -16.801 -3.197 9.288 1.00 64.34 C ATOM 247 C GLY A 19 -16.928 -2.150 10.377 1.00 41.52 C ATOM 248 O GLY A 19 -17.887 -2.158 11.146 1.00 60.25 O ATOM 0 H GLY A 19 -17.667 -4.922 10.103 1.00 33.14 H new ATOM 0 HA2 GLY A 19 -15.895 -3.010 8.712 1.00 64.34 H new ATOM 0 HA3 GLY A 19 -17.641 -3.105 8.599 1.00 64.34 H new ATOM 252 N GLY A 20 -15.955 -1.245 10.442 1.00 15.04 N ATOM 253 CA GLY A 20 -15.980 -0.201 11.449 1.00 42.01 C ATOM 254 C GLY A 20 -16.663 1.060 10.959 1.00 41.05 C ATOM 255 O GLY A 20 -16.565 1.412 9.783 1.00 22.42 O ATOM 0 H GLY A 20 -15.151 -1.217 9.815 1.00 15.04 H new ATOM 0 HA2 GLY A 20 -16.496 -0.568 12.336 1.00 42.01 H new ATOM 0 HA3 GLY A 20 -14.959 0.035 11.748 1.00 42.01 H new ATOM 259 N SER A 21 -17.360 1.742 11.862 1.00 41.32 N ATOM 260 CA SER A 21 -18.068 2.969 11.515 1.00 54.31 C ATOM 261 C SER A 21 -17.949 4.001 12.633 1.00 25.33 C ATOM 262 O SER A 21 -18.730 3.992 13.585 1.00 34.53 O ATOM 263 CB SER A 21 -19.542 2.670 11.234 1.00 60.32 C ATOM 264 OG SER A 21 -19.734 2.261 9.892 1.00 53.34 O ATOM 0 H SER A 21 -17.450 1.466 12.840 1.00 41.32 H new ATOM 0 HA SER A 21 -17.611 3.381 10.615 1.00 54.31 H new ATOM 0 HB2 SER A 21 -19.893 1.889 11.909 1.00 60.32 H new ATOM 0 HB3 SER A 21 -20.141 3.558 11.436 1.00 60.32 H new ATOM 0 HG SER A 21 -19.442 1.331 9.788 1.00 53.34 H new ATOM 270 N TRP A 22 -16.969 4.888 12.509 1.00 33.13 N ATOM 271 CA TRP A 22 -16.748 5.926 13.509 1.00 14.23 C ATOM 272 C TRP A 22 -17.537 7.186 13.170 1.00 11.34 C ATOM 273 O TRP A 22 -17.383 7.755 12.088 1.00 50.22 O ATOM 274 CB TRP A 22 -15.257 6.255 13.610 1.00 62.20 C ATOM 275 CG TRP A 22 -14.441 5.141 14.191 1.00 21.53 C ATOM 276 CD1 TRP A 22 -13.703 4.220 13.502 1.00 71.41 C ATOM 277 CD2 TRP A 22 -14.282 4.827 15.579 1.00 12.22 C ATOM 278 NE1 TRP A 22 -13.095 3.353 14.379 1.00 42.44 N ATOM 279 CE2 TRP A 22 -13.434 3.705 15.659 1.00 40.21 C ATOM 280 CE3 TRP A 22 -14.772 5.386 16.762 1.00 45.12 C ATOM 281 CZ2 TRP A 22 -13.067 3.135 16.874 1.00 31.32 C ATOM 282 CZ3 TRP A 22 -14.408 4.818 17.969 1.00 1.15 C ATOM 283 CH2 TRP A 22 -13.562 3.702 18.018 1.00 3.54 C ATOM 0 H TRP A 22 -16.315 4.910 11.727 1.00 33.13 H new ATOM 0 HA TRP A 22 -17.097 5.550 14.471 1.00 14.23 H new ATOM 0 HB2 TRP A 22 -14.877 6.494 12.617 1.00 62.20 H new ATOM 0 HB3 TRP A 22 -15.130 7.147 14.223 1.00 62.20 H new ATOM 0 HD1 TRP A 22 -13.611 4.179 12.427 1.00 71.41 H new ATOM 0 HE1 TRP A 22 -12.490 2.574 14.119 1.00 42.44 H new ATOM 0 HE3 TRP A 22 -15.424 6.247 16.734 1.00 45.12 H new ATOM 0 HZ2 TRP A 22 -12.414 2.275 16.914 1.00 31.32 H new ATOM 0 HZ3 TRP A 22 -14.782 5.242 18.889 1.00 1.15 H new ATOM 0 HH2 TRP A 22 -13.295 3.281 18.976 1.00 3.54 H new ATOM 294 N THR A 23 -18.384 7.617 14.099 1.00 3.41 N ATOM 295 CA THR A 23 -19.198 8.808 13.897 1.00 51.35 C ATOM 296 C THR A 23 -18.744 9.945 14.807 1.00 32.05 C ATOM 297 O THR A 23 -19.063 9.966 15.996 1.00 54.43 O ATOM 298 CB THR A 23 -20.689 8.521 14.158 1.00 72.32 C ATOM 299 OG1 THR A 23 -20.953 7.123 14.000 1.00 3.42 O ATOM 300 CG2 THR A 23 -21.567 9.320 13.208 1.00 24.15 C ATOM 0 H THR A 23 -18.524 7.158 14.999 1.00 3.41 H new ATOM 0 HA THR A 23 -19.070 9.105 12.856 1.00 51.35 H new ATOM 0 HB THR A 23 -20.922 8.820 15.180 1.00 72.32 H new ATOM 0 HG1 THR A 23 -21.902 6.948 14.169 1.00 3.42 H new ATOM 0 HG21 THR A 23 -22.615 9.101 13.411 1.00 24.15 H new ATOM 0 HG22 THR A 23 -21.384 10.385 13.352 1.00 24.15 H new ATOM 0 HG23 THR A 23 -21.332 9.047 12.179 1.00 24.15 H new ATOM 308 N VAL A 24 -17.999 10.889 14.241 1.00 1.12 N ATOM 309 CA VAL A 24 -17.504 12.030 15.000 1.00 54.11 C ATOM 310 C VAL A 24 -18.450 13.219 14.887 1.00 73.12 C ATOM 311 O VAL A 24 -18.873 13.588 13.791 1.00 54.04 O ATOM 312 CB VAL A 24 -16.102 12.456 14.523 1.00 31.54 C ATOM 313 CG1 VAL A 24 -15.518 13.508 15.453 1.00 53.32 C ATOM 314 CG2 VAL A 24 -15.182 11.247 14.427 1.00 44.45 C ATOM 0 H VAL A 24 -17.725 10.886 13.258 1.00 1.12 H new ATOM 0 HA VAL A 24 -17.445 11.715 16.042 1.00 54.11 H new ATOM 0 HB VAL A 24 -16.193 12.895 13.529 1.00 31.54 H new ATOM 0 HG11 VAL A 24 -14.528 13.796 15.100 1.00 53.32 H new ATOM 0 HG12 VAL A 24 -16.168 14.383 15.466 1.00 53.32 H new ATOM 0 HG13 VAL A 24 -15.439 13.100 16.461 1.00 53.32 H new ATOM 0 HG21 VAL A 24 -14.196 11.566 14.089 1.00 44.45 H new ATOM 0 HG22 VAL A 24 -15.095 10.777 15.407 1.00 44.45 H new ATOM 0 HG23 VAL A 24 -15.595 10.531 13.717 1.00 44.45 H new ATOM 324 N LYS A 25 -18.780 13.817 16.027 1.00 73.33 N ATOM 325 CA LYS A 25 -19.675 14.967 16.058 1.00 4.52 C ATOM 326 C LYS A 25 -19.168 16.026 17.031 1.00 41.21 C ATOM 327 O LYS A 25 -19.058 15.779 18.230 1.00 63.32 O ATOM 328 CB LYS A 25 -21.087 14.529 16.455 1.00 45.52 C ATOM 329 CG LYS A 25 -22.185 15.232 15.674 1.00 54.34 C ATOM 330 CD LYS A 25 -22.549 16.566 16.304 1.00 22.22 C ATOM 331 CE LYS A 25 -23.921 17.040 15.850 1.00 42.21 C ATOM 332 NZ LYS A 25 -24.177 18.454 16.241 1.00 43.32 N ATOM 0 H LYS A 25 -18.440 13.523 16.943 1.00 73.33 H new ATOM 0 HA LYS A 25 -19.702 15.401 15.059 1.00 4.52 H new ATOM 0 HB2 LYS A 25 -21.180 13.453 16.307 1.00 45.52 H new ATOM 0 HB3 LYS A 25 -21.231 14.718 17.519 1.00 45.52 H new ATOM 0 HG2 LYS A 25 -21.858 15.391 14.647 1.00 54.34 H new ATOM 0 HG3 LYS A 25 -23.068 14.595 15.632 1.00 54.34 H new ATOM 0 HD2 LYS A 25 -22.536 16.473 17.390 1.00 22.22 H new ATOM 0 HD3 LYS A 25 -21.799 17.311 16.039 1.00 22.22 H new ATOM 0 HE2 LYS A 25 -23.999 16.943 14.767 1.00 42.21 H new ATOM 0 HE3 LYS A 25 -24.688 16.399 16.283 1.00 42.21 H new ATOM 0 HZ1 LYS A 25 -25.002 18.814 15.721 1.00 43.32 H new ATOM 0 HZ2 LYS A 25 -24.363 18.503 17.263 1.00 43.32 H new ATOM 0 HZ3 LYS A 25 -23.344 19.034 16.013 1.00 43.32 H new ATOM 346 N ASN A 26 -18.861 17.208 16.504 1.00 54.23 N ATOM 347 CA ASN A 26 -18.365 18.306 17.327 1.00 21.44 C ATOM 348 C ASN A 26 -19.389 19.434 17.401 1.00 44.13 C ATOM 349 O ASN A 26 -19.921 19.873 16.381 1.00 41.31 O ATOM 350 CB ASN A 26 -17.044 18.835 16.766 1.00 1.13 C ATOM 351 CG ASN A 26 -16.083 17.721 16.400 1.00 62.24 C ATOM 352 OD1 ASN A 26 -15.288 17.275 17.229 1.00 65.11 O ATOM 353 ND2 ASN A 26 -16.150 17.266 15.155 1.00 64.13 N ATOM 0 H ASN A 26 -18.947 17.430 15.512 1.00 54.23 H new ATOM 0 HA ASN A 26 -18.196 17.926 18.335 1.00 21.44 H new ATOM 0 HB2 ASN A 26 -17.245 19.442 15.883 1.00 1.13 H new ATOM 0 HB3 ASN A 26 -16.575 19.488 17.502 1.00 1.13 H new ATOM 0 HD21 ASN A 26 -15.527 16.517 14.851 1.00 64.13 H new ATOM 0 HD22 ASN A 26 -16.824 17.665 14.502 1.00 64.13 H new ATOM 360 N THR A 27 -19.660 19.901 18.615 1.00 61.55 N ATOM 361 CA THR A 27 -20.619 20.978 18.824 1.00 44.42 C ATOM 362 C THR A 27 -20.550 21.508 20.251 1.00 64.44 C ATOM 363 O THR A 27 -20.647 20.746 21.212 1.00 65.42 O ATOM 364 CB THR A 27 -22.059 20.514 18.530 1.00 13.13 C ATOM 365 OG1 THR A 27 -22.978 21.584 18.774 1.00 5.21 O ATOM 366 CG2 THR A 27 -22.427 19.315 19.391 1.00 74.33 C ATOM 0 H THR A 27 -19.228 19.550 19.470 1.00 61.55 H new ATOM 0 HA THR A 27 -20.353 21.776 18.130 1.00 44.42 H new ATOM 0 HB THR A 27 -22.116 20.220 17.482 1.00 13.13 H new ATOM 0 HG1 THR A 27 -23.890 21.281 18.583 1.00 5.21 H new ATOM 0 HG21 THR A 27 -23.448 19.005 19.166 1.00 74.33 H new ATOM 0 HG22 THR A 27 -21.743 18.492 19.181 1.00 74.33 H new ATOM 0 HG23 THR A 27 -22.354 19.587 20.444 1.00 74.33 H new ATOM 374 N GLY A 28 -20.382 22.821 20.384 1.00 4.22 N ATOM 375 CA GLY A 28 -20.304 23.430 21.698 1.00 74.44 C ATOM 376 C GLY A 28 -18.943 24.037 21.976 1.00 45.24 C ATOM 377 O GLY A 28 -18.799 24.879 22.864 1.00 65.42 O ATOM 0 H GLY A 28 -20.299 23.473 19.604 1.00 4.22 H new ATOM 0 HA2 GLY A 28 -21.067 24.203 21.782 1.00 74.44 H new ATOM 0 HA3 GLY A 28 -20.525 22.679 22.457 1.00 74.44 H new ATOM 381 N THR A 29 -17.941 23.611 21.215 1.00 54.21 N ATOM 382 CA THR A 29 -16.583 24.116 21.385 1.00 63.21 C ATOM 383 C THR A 29 -16.299 25.262 20.421 1.00 15.24 C ATOM 384 O THR A 29 -17.126 25.592 19.570 1.00 25.32 O ATOM 385 CB THR A 29 -15.539 23.006 21.167 1.00 33.43 C ATOM 386 OG1 THR A 29 -14.243 23.468 21.562 1.00 75.21 O ATOM 387 CG2 THR A 29 -15.506 22.571 19.710 1.00 24.15 C ATOM 0 H THR A 29 -18.043 22.917 20.474 1.00 54.21 H new ATOM 0 HA THR A 29 -16.507 24.479 22.410 1.00 63.21 H new ATOM 0 HB THR A 29 -15.821 22.149 21.778 1.00 33.43 H new ATOM 0 HG1 THR A 29 -13.585 22.755 21.422 1.00 75.21 H new ATOM 0 HG21 THR A 29 -14.761 21.786 19.581 1.00 24.15 H new ATOM 0 HG22 THR A 29 -16.486 22.192 19.421 1.00 24.15 H new ATOM 0 HG23 THR A 29 -15.247 23.423 19.082 1.00 24.15 H new ATOM 395 N THR A 30 -15.122 25.865 20.556 1.00 73.12 N ATOM 396 CA THR A 30 -14.728 26.974 19.697 1.00 45.40 C ATOM 397 C THR A 30 -14.459 26.498 18.274 1.00 11.43 C ATOM 398 O THR A 30 -14.441 25.297 18.003 1.00 52.35 O ATOM 399 CB THR A 30 -13.472 27.683 20.235 1.00 53.51 C ATOM 400 OG1 THR A 30 -12.475 26.717 20.585 1.00 23.15 O ATOM 401 CG2 THR A 30 -13.809 28.533 21.451 1.00 52.14 C ATOM 0 H THR A 30 -14.425 25.603 21.253 1.00 73.12 H new ATOM 0 HA THR A 30 -15.559 27.679 19.691 1.00 45.40 H new ATOM 0 HB THR A 30 -13.087 28.334 19.451 1.00 53.51 H new ATOM 0 HG1 THR A 30 -11.679 27.177 20.925 1.00 23.15 H new ATOM 0 HG21 THR A 30 -12.906 29.024 21.813 1.00 52.14 H new ATOM 0 HG22 THR A 30 -14.546 29.287 21.175 1.00 52.14 H new ATOM 0 HG23 THR A 30 -14.217 27.898 22.237 1.00 52.14 H new ATOM 409 N SER A 31 -14.248 27.447 17.367 1.00 25.03 N ATOM 410 CA SER A 31 -13.982 27.125 15.970 1.00 0.22 C ATOM 411 C SER A 31 -12.855 26.103 15.854 1.00 3.14 C ATOM 412 O SER A 31 -11.688 26.418 16.095 1.00 21.11 O ATOM 413 CB SER A 31 -13.621 28.391 15.192 1.00 54.11 C ATOM 414 OG SER A 31 -12.662 28.115 14.185 1.00 54.04 O ATOM 0 H SER A 31 -14.256 28.446 17.575 1.00 25.03 H new ATOM 0 HA SER A 31 -14.887 26.692 15.544 1.00 0.22 H new ATOM 0 HB2 SER A 31 -14.519 28.811 14.738 1.00 54.11 H new ATOM 0 HB3 SER A 31 -13.228 29.143 15.877 1.00 54.11 H new ATOM 0 HG SER A 31 -12.449 28.940 13.701 1.00 54.04 H new ATOM 420 N LEU A 32 -13.211 24.878 15.482 1.00 44.12 N ATOM 421 CA LEU A 32 -12.230 23.808 15.333 1.00 43.25 C ATOM 422 C LEU A 32 -11.405 23.999 14.065 1.00 74.01 C ATOM 423 O LEU A 32 -11.530 25.012 13.377 1.00 1.25 O ATOM 424 CB LEU A 32 -12.931 22.450 15.301 1.00 33.14 C ATOM 425 CG LEU A 32 -12.476 21.434 16.350 1.00 10.43 C ATOM 426 CD1 LEU A 32 -13.340 21.532 17.597 1.00 60.55 C ATOM 427 CD2 LEU A 32 -12.516 20.024 15.781 1.00 2.54 C ATOM 0 H LEU A 32 -14.171 24.601 15.278 1.00 44.12 H new ATOM 0 HA LEU A 32 -11.557 23.842 16.190 1.00 43.25 H new ATOM 0 HB2 LEU A 32 -14.002 22.613 15.423 1.00 33.14 H new ATOM 0 HB3 LEU A 32 -12.786 22.012 14.313 1.00 33.14 H new ATOM 0 HG LEU A 32 -11.447 21.663 16.626 1.00 10.43 H new ATOM 0 HD11 LEU A 32 -13.002 20.802 18.332 1.00 60.55 H new ATOM 0 HD12 LEU A 32 -13.260 22.534 18.017 1.00 60.55 H new ATOM 0 HD13 LEU A 32 -14.379 21.330 17.337 1.00 60.55 H new ATOM 0 HD21 LEU A 32 -12.189 19.315 16.542 1.00 2.54 H new ATOM 0 HD22 LEU A 32 -13.534 19.784 15.475 1.00 2.54 H new ATOM 0 HD23 LEU A 32 -11.853 19.961 14.918 1.00 2.54 H new ATOM 439 N SER A 33 -10.562 23.017 13.760 1.00 62.20 N ATOM 440 CA SER A 33 -9.715 23.078 12.574 1.00 71.40 C ATOM 441 C SER A 33 -9.534 21.691 11.966 1.00 33.31 C ATOM 442 O SER A 33 -9.795 21.480 10.781 1.00 41.14 O ATOM 443 CB SER A 33 -8.352 23.676 12.926 1.00 33.44 C ATOM 444 OG SER A 33 -7.982 24.682 12.000 1.00 13.45 O ATOM 0 H SER A 33 -10.447 22.170 14.317 1.00 62.20 H new ATOM 0 HA SER A 33 -10.204 23.717 11.839 1.00 71.40 H new ATOM 0 HB2 SER A 33 -8.385 24.097 13.931 1.00 33.44 H new ATOM 0 HB3 SER A 33 -7.597 22.889 12.934 1.00 33.44 H new ATOM 0 HG SER A 33 -7.803 24.273 11.127 1.00 13.45 H new ATOM 450 N SER A 34 -9.084 20.746 12.786 1.00 2.22 N ATOM 451 CA SER A 34 -8.863 19.378 12.328 1.00 71.34 C ATOM 452 C SER A 34 -9.369 18.372 13.358 1.00 45.04 C ATOM 453 O SER A 34 -9.525 18.698 14.535 1.00 24.42 O ATOM 454 CB SER A 34 -7.376 19.143 12.058 1.00 0.03 C ATOM 455 OG SER A 34 -6.656 20.364 12.065 1.00 71.24 O ATOM 0 H SER A 34 -8.865 20.902 13.770 1.00 2.22 H new ATOM 0 HA SER A 34 -9.421 19.236 11.402 1.00 71.34 H new ATOM 0 HB2 SER A 34 -6.968 18.472 12.814 1.00 0.03 H new ATOM 0 HB3 SER A 34 -7.252 18.650 11.094 1.00 0.03 H new ATOM 0 HG SER A 34 -5.708 20.186 11.892 1.00 71.24 H new ATOM 461 N TRP A 35 -9.625 17.151 12.906 1.00 4.54 N ATOM 462 CA TRP A 35 -10.115 16.096 13.786 1.00 74.14 C ATOM 463 C TRP A 35 -9.268 14.836 13.649 1.00 64.34 C ATOM 464 O TRP A 35 -9.062 14.331 12.544 1.00 64.50 O ATOM 465 CB TRP A 35 -11.578 15.780 13.473 1.00 1.14 C ATOM 466 CG TRP A 35 -11.815 15.425 12.036 1.00 54.12 C ATOM 467 CD1 TRP A 35 -11.980 16.292 10.994 1.00 2.10 C ATOM 468 CD2 TRP A 35 -11.912 14.107 11.484 1.00 42.15 C ATOM 469 NE1 TRP A 35 -12.176 15.593 9.827 1.00 42.34 N ATOM 470 CE2 TRP A 35 -12.137 14.252 10.101 1.00 23.44 C ATOM 471 CE3 TRP A 35 -11.829 12.821 12.022 1.00 64.40 C ATOM 472 CZ2 TRP A 35 -12.282 13.157 9.253 1.00 31.14 C ATOM 473 CZ3 TRP A 35 -11.974 11.735 11.179 1.00 52.23 C ATOM 474 CH2 TRP A 35 -12.197 11.909 9.807 1.00 4.33 C ATOM 0 H TRP A 35 -9.502 16.866 11.934 1.00 4.54 H new ATOM 0 HA TRP A 35 -10.040 16.451 14.814 1.00 74.14 H new ATOM 0 HB2 TRP A 35 -11.906 14.953 14.103 1.00 1.14 H new ATOM 0 HB3 TRP A 35 -12.192 16.642 13.733 1.00 1.14 H new ATOM 0 HD1 TRP A 35 -11.959 17.369 11.075 1.00 2.10 H new ATOM 0 HE1 TRP A 35 -12.326 16.006 8.907 1.00 42.34 H new ATOM 0 HE3 TRP A 35 -11.655 12.677 13.078 1.00 64.40 H new ATOM 0 HZ2 TRP A 35 -12.455 13.288 8.195 1.00 31.14 H new ATOM 0 HZ3 TRP A 35 -11.914 10.736 11.585 1.00 52.23 H new ATOM 0 HH2 TRP A 35 -12.304 11.041 9.174 1.00 4.33 H new ATOM 485 N THR A 36 -8.779 14.331 14.777 1.00 31.24 N ATOM 486 CA THR A 36 -7.955 13.129 14.782 1.00 54.53 C ATOM 487 C THR A 36 -8.561 12.049 15.670 1.00 74.33 C ATOM 488 O THR A 36 -8.587 12.181 16.895 1.00 5.32 O ATOM 489 CB THR A 36 -6.524 13.432 15.265 1.00 35.31 C ATOM 490 OG1 THR A 36 -5.929 14.437 14.437 1.00 64.24 O ATOM 491 CG2 THR A 36 -5.666 12.176 15.240 1.00 71.11 C ATOM 0 H THR A 36 -8.939 14.736 15.699 1.00 31.24 H new ATOM 0 HA THR A 36 -7.916 12.769 13.754 1.00 54.53 H new ATOM 0 HB THR A 36 -6.581 13.794 16.292 1.00 35.31 H new ATOM 0 HG1 THR A 36 -5.020 14.625 14.752 1.00 64.24 H new ATOM 0 HG21 THR A 36 -4.660 12.415 15.585 1.00 71.11 H new ATOM 0 HG22 THR A 36 -6.105 11.423 15.894 1.00 71.11 H new ATOM 0 HG23 THR A 36 -5.618 11.789 14.222 1.00 71.11 H new ATOM 499 N VAL A 37 -9.047 10.981 15.048 1.00 34.15 N ATOM 500 CA VAL A 37 -9.651 9.876 15.783 1.00 21.30 C ATOM 501 C VAL A 37 -8.706 8.682 15.857 1.00 22.52 C ATOM 502 O VAL A 37 -8.514 7.968 14.873 1.00 63.55 O ATOM 503 CB VAL A 37 -10.976 9.428 15.136 1.00 42.24 C ATOM 504 CG1 VAL A 37 -11.680 8.404 16.013 1.00 14.43 C ATOM 505 CG2 VAL A 37 -11.874 10.629 14.878 1.00 4.10 C ATOM 0 H VAL A 37 -9.035 10.857 14.036 1.00 34.15 H new ATOM 0 HA VAL A 37 -9.852 10.240 16.791 1.00 21.30 H new ATOM 0 HB VAL A 37 -10.752 8.957 14.179 1.00 42.24 H new ATOM 0 HG11 VAL A 37 -12.613 8.100 15.539 1.00 14.43 H new ATOM 0 HG12 VAL A 37 -11.038 7.533 16.142 1.00 14.43 H new ATOM 0 HG13 VAL A 37 -11.894 8.845 16.987 1.00 14.43 H new ATOM 0 HG21 VAL A 37 -12.806 10.295 14.421 1.00 4.10 H new ATOM 0 HG22 VAL A 37 -12.092 11.130 15.821 1.00 4.10 H new ATOM 0 HG23 VAL A 37 -11.369 11.323 14.207 1.00 4.10 H new ATOM 515 N GLU A 38 -8.119 8.471 17.031 1.00 55.24 N ATOM 516 CA GLU A 38 -7.193 7.363 17.233 1.00 54.04 C ATOM 517 C GLU A 38 -7.614 6.513 18.429 1.00 14.34 C ATOM 518 O GLU A 38 -8.293 6.993 19.336 1.00 50.30 O ATOM 519 CB GLU A 38 -5.771 7.889 17.443 1.00 65.33 C ATOM 520 CG GLU A 38 -5.613 8.729 18.700 1.00 52.44 C ATOM 521 CD GLU A 38 -5.745 10.216 18.428 1.00 34.25 C ATOM 522 OE1 GLU A 38 -6.866 10.665 18.113 1.00 63.42 O ATOM 523 OE2 GLU A 38 -4.725 10.929 18.530 1.00 51.32 O ATOM 0 H GLU A 38 -8.268 9.052 17.856 1.00 55.24 H new ATOM 0 HA GLU A 38 -7.214 6.739 16.340 1.00 54.04 H new ATOM 0 HB2 GLU A 38 -5.084 7.045 17.491 1.00 65.33 H new ATOM 0 HB3 GLU A 38 -5.482 8.486 16.578 1.00 65.33 H new ATOM 0 HG2 GLU A 38 -6.365 8.429 19.430 1.00 52.44 H new ATOM 0 HG3 GLU A 38 -4.638 8.530 19.146 1.00 52.44 H new ATOM 530 N TRP A 39 -7.208 5.249 18.419 1.00 75.52 N ATOM 531 CA TRP A 39 -7.543 4.331 19.502 1.00 51.25 C ATOM 532 C TRP A 39 -6.497 3.229 19.626 1.00 54.43 C ATOM 533 O TRP A 39 -5.638 3.076 18.756 1.00 74.22 O ATOM 534 CB TRP A 39 -8.924 3.716 19.268 1.00 4.32 C ATOM 535 CG TRP A 39 -9.588 4.207 18.016 1.00 73.21 C ATOM 536 CD1 TRP A 39 -10.635 5.079 17.933 1.00 3.33 C ATOM 537 CD2 TRP A 39 -9.249 3.852 16.672 1.00 12.41 C ATOM 538 NE1 TRP A 39 -10.969 5.287 16.616 1.00 14.53 N ATOM 539 CE2 TRP A 39 -10.133 4.547 15.823 1.00 31.14 C ATOM 540 CE3 TRP A 39 -8.284 3.017 16.102 1.00 24.24 C ATOM 541 CZ2 TRP A 39 -10.079 4.429 14.436 1.00 73.44 C ATOM 542 CZ3 TRP A 39 -8.233 2.901 14.726 1.00 34.01 C ATOM 543 CH2 TRP A 39 -9.125 3.604 13.906 1.00 1.51 C ATOM 0 H TRP A 39 -6.647 4.836 17.674 1.00 75.52 H new ATOM 0 HA TRP A 39 -7.558 4.898 20.433 1.00 51.25 H new ATOM 0 HB2 TRP A 39 -8.827 2.631 19.218 1.00 4.32 H new ATOM 0 HB3 TRP A 39 -9.563 3.940 20.122 1.00 4.32 H new ATOM 0 HD1 TRP A 39 -11.128 5.538 18.777 1.00 3.33 H new ATOM 0 HE1 TRP A 39 -11.718 5.894 16.283 1.00 14.53 H new ATOM 0 HE3 TRP A 39 -7.591 2.472 16.726 1.00 24.24 H new ATOM 0 HZ2 TRP A 39 -10.766 4.970 13.802 1.00 73.44 H new ATOM 0 HZ3 TRP A 39 -7.493 2.257 14.275 1.00 34.01 H new ATOM 0 HH2 TRP A 39 -9.058 3.492 12.834 1.00 1.51 H new ATOM 554 N ASP A 40 -6.574 2.464 20.709 1.00 1.21 N ATOM 555 CA ASP A 40 -5.634 1.374 20.944 1.00 64.13 C ATOM 556 C ASP A 40 -6.233 0.037 20.518 1.00 4.11 C ATOM 557 O ASP A 40 -7.343 -0.314 20.918 1.00 41.33 O ATOM 558 CB ASP A 40 -5.241 1.322 22.421 1.00 12.22 C ATOM 559 CG ASP A 40 -3.757 1.078 22.616 1.00 52.24 C ATOM 560 OD1 ASP A 40 -3.353 -0.101 22.691 1.00 30.01 O ATOM 561 OD2 ASP A 40 -2.999 2.068 22.694 1.00 10.25 O ATOM 0 H ASP A 40 -7.278 2.578 21.438 1.00 1.21 H new ATOM 0 HA ASP A 40 -4.743 1.560 20.344 1.00 64.13 H new ATOM 0 HB2 ASP A 40 -5.518 2.260 22.901 1.00 12.22 H new ATOM 0 HB3 ASP A 40 -5.805 0.532 22.917 1.00 12.22 H new ATOM 566 N PHE A 41 -5.491 -0.704 19.701 1.00 72.04 N ATOM 567 CA PHE A 41 -5.949 -2.001 19.219 1.00 2.13 C ATOM 568 C PHE A 41 -5.093 -3.128 19.789 1.00 30.12 C ATOM 569 O PHE A 41 -4.232 -3.690 19.113 1.00 53.10 O ATOM 570 CB PHE A 41 -5.913 -2.042 17.689 1.00 63.12 C ATOM 571 CG PHE A 41 -7.209 -1.637 17.048 1.00 45.43 C ATOM 572 CD1 PHE A 41 -8.413 -2.150 17.502 1.00 22.33 C ATOM 573 CD2 PHE A 41 -7.225 -0.742 15.990 1.00 13.52 C ATOM 574 CE1 PHE A 41 -9.607 -1.780 16.914 1.00 62.22 C ATOM 575 CE2 PHE A 41 -8.416 -0.367 15.398 1.00 72.55 C ATOM 576 CZ PHE A 41 -9.608 -0.887 15.860 1.00 23.44 C ATOM 0 H PHE A 41 -4.570 -0.428 19.359 1.00 72.04 H new ATOM 0 HA PHE A 41 -6.976 -2.143 19.556 1.00 2.13 H new ATOM 0 HB2 PHE A 41 -5.120 -1.383 17.334 1.00 63.12 H new ATOM 0 HB3 PHE A 41 -5.657 -3.051 17.366 1.00 63.12 H new ATOM 0 HD1 PHE A 41 -8.418 -2.848 18.326 1.00 22.33 H new ATOM 0 HD2 PHE A 41 -6.295 -0.333 15.624 1.00 13.52 H new ATOM 0 HE1 PHE A 41 -10.538 -2.188 17.278 1.00 62.22 H new ATOM 0 HE2 PHE A 41 -8.414 0.332 14.575 1.00 72.55 H new ATOM 0 HZ PHE A 41 -10.540 -0.596 15.398 1.00 23.44 H new ATOM 586 N PRO A 42 -5.334 -3.466 21.064 1.00 54.23 N ATOM 587 CA PRO A 42 -4.595 -4.527 21.755 1.00 23.53 C ATOM 588 C PRO A 42 -4.938 -5.914 21.220 1.00 2.40 C ATOM 589 O PRO A 42 -4.049 -6.705 20.901 1.00 62.43 O ATOM 590 CB PRO A 42 -5.052 -4.388 23.209 1.00 15.21 C ATOM 591 CG PRO A 42 -6.394 -3.749 23.126 1.00 70.41 C ATOM 592 CD PRO A 42 -6.347 -2.838 21.931 1.00 14.41 C ATOM 0 HA PRO A 42 -3.518 -4.428 21.621 1.00 23.53 H new ATOM 0 HB2 PRO A 42 -5.106 -5.359 23.701 1.00 15.21 H new ATOM 0 HB3 PRO A 42 -4.358 -3.777 23.785 1.00 15.21 H new ATOM 0 HG2 PRO A 42 -7.177 -4.499 23.014 1.00 70.41 H new ATOM 0 HG3 PRO A 42 -6.616 -3.189 24.035 1.00 70.41 H new ATOM 0 HD2 PRO A 42 -7.316 -2.774 21.436 1.00 14.41 H new ATOM 0 HD3 PRO A 42 -6.064 -1.823 22.210 1.00 14.41 H new ATOM 600 N THR A 43 -6.232 -6.203 21.122 1.00 51.43 N ATOM 601 CA THR A 43 -6.692 -7.494 20.626 1.00 53.02 C ATOM 602 C THR A 43 -6.462 -7.619 19.125 1.00 34.42 C ATOM 603 O THR A 43 -6.568 -6.642 18.386 1.00 64.31 O ATOM 604 CB THR A 43 -8.187 -7.711 20.926 1.00 13.12 C ATOM 605 OG1 THR A 43 -8.576 -6.936 22.065 1.00 10.21 O ATOM 606 CG2 THR A 43 -8.479 -9.181 21.182 1.00 24.11 C ATOM 0 H THR A 43 -6.980 -5.560 21.380 1.00 51.43 H new ATOM 0 HA THR A 43 -6.112 -8.257 21.144 1.00 53.02 H new ATOM 0 HB THR A 43 -8.760 -7.389 20.056 1.00 13.12 H new ATOM 0 HG1 THR A 43 -9.528 -7.078 22.248 1.00 10.21 H new ATOM 0 HG21 THR A 43 -9.541 -9.310 21.392 1.00 24.11 H new ATOM 0 HG22 THR A 43 -8.210 -9.764 20.301 1.00 24.11 H new ATOM 0 HG23 THR A 43 -7.896 -9.524 22.037 1.00 24.11 H new ATOM 614 N GLY A 44 -6.146 -8.831 18.678 1.00 33.12 N ATOM 615 CA GLY A 44 -5.907 -9.063 17.266 1.00 42.14 C ATOM 616 C GLY A 44 -6.818 -8.237 16.381 1.00 42.10 C ATOM 617 O GLY A 44 -7.968 -8.608 16.141 1.00 61.43 O ATOM 0 H GLY A 44 -6.051 -9.657 19.269 1.00 33.12 H new ATOM 0 HA2 GLY A 44 -4.868 -8.828 17.033 1.00 42.14 H new ATOM 0 HA3 GLY A 44 -6.052 -10.120 17.045 1.00 42.14 H new ATOM 621 N THR A 45 -6.307 -7.112 15.893 1.00 42.34 N ATOM 622 CA THR A 45 -7.084 -6.229 15.031 1.00 54.03 C ATOM 623 C THR A 45 -6.175 -5.401 14.129 1.00 70.24 C ATOM 624 O THR A 45 -5.017 -5.147 14.463 1.00 41.43 O ATOM 625 CB THR A 45 -7.973 -5.279 15.856 1.00 10.15 C ATOM 626 OG1 THR A 45 -7.209 -4.686 16.913 1.00 0.14 O ATOM 627 CG2 THR A 45 -9.164 -6.024 16.439 1.00 74.55 C ATOM 0 H THR A 45 -5.357 -6.790 16.080 1.00 42.34 H new ATOM 0 HA THR A 45 -7.719 -6.866 14.415 1.00 54.03 H new ATOM 0 HB THR A 45 -8.343 -4.496 15.194 1.00 10.15 H new ATOM 0 HG1 THR A 45 -7.720 -3.953 17.315 1.00 0.14 H new ATOM 0 HG21 THR A 45 -9.778 -5.333 17.017 1.00 74.55 H new ATOM 0 HG22 THR A 45 -9.759 -6.448 15.630 1.00 74.55 H new ATOM 0 HG23 THR A 45 -8.810 -6.825 17.088 1.00 74.55 H new ATOM 635 N LYS A 46 -6.706 -4.980 12.987 1.00 22.24 N ATOM 636 CA LYS A 46 -5.944 -4.179 12.037 1.00 70.11 C ATOM 637 C LYS A 46 -6.832 -3.703 10.892 1.00 0.43 C ATOM 638 O LYS A 46 -7.557 -4.493 10.285 1.00 43.42 O ATOM 639 CB LYS A 46 -4.768 -4.988 11.483 1.00 63.02 C ATOM 640 CG LYS A 46 -5.156 -6.378 11.009 1.00 63.32 C ATOM 641 CD LYS A 46 -4.450 -7.458 11.811 1.00 51.02 C ATOM 642 CE LYS A 46 -2.941 -7.386 11.634 1.00 13.42 C ATOM 643 NZ LYS A 46 -2.370 -8.691 11.197 1.00 64.33 N ATOM 0 H LYS A 46 -7.663 -5.181 12.696 1.00 22.24 H new ATOM 0 HA LYS A 46 -5.559 -3.305 12.563 1.00 70.11 H new ATOM 0 HB2 LYS A 46 -4.321 -4.442 10.652 1.00 63.02 H new ATOM 0 HB3 LYS A 46 -4.003 -5.077 12.255 1.00 63.02 H new ATOM 0 HG2 LYS A 46 -6.235 -6.505 11.097 1.00 63.32 H new ATOM 0 HG3 LYS A 46 -4.907 -6.486 9.953 1.00 63.32 H new ATOM 0 HD2 LYS A 46 -4.699 -7.350 12.867 1.00 51.02 H new ATOM 0 HD3 LYS A 46 -4.808 -8.439 11.497 1.00 51.02 H new ATOM 0 HE2 LYS A 46 -2.698 -6.619 10.899 1.00 13.42 H new ATOM 0 HE3 LYS A 46 -2.479 -7.084 12.574 1.00 13.42 H new ATOM 0 HZ1 LYS A 46 -1.340 -8.600 11.088 1.00 64.33 H new ATOM 0 HZ2 LYS A 46 -2.580 -9.418 11.910 1.00 64.33 H new ATOM 0 HZ3 LYS A 46 -2.791 -8.967 10.287 1.00 64.33 H new ATOM 657 N VAL A 47 -6.769 -2.409 10.598 1.00 44.25 N ATOM 658 CA VAL A 47 -7.565 -1.828 9.524 1.00 40.11 C ATOM 659 C VAL A 47 -6.926 -2.088 8.164 1.00 25.25 C ATOM 660 O VAL A 47 -5.978 -1.409 7.770 1.00 41.41 O ATOM 661 CB VAL A 47 -7.742 -0.310 9.713 1.00 51.54 C ATOM 662 CG1 VAL A 47 -8.535 0.284 8.559 1.00 13.43 C ATOM 663 CG2 VAL A 47 -8.419 -0.014 11.043 1.00 5.24 C ATOM 0 H VAL A 47 -6.174 -1.742 11.089 1.00 44.25 H new ATOM 0 HA VAL A 47 -8.543 -2.307 9.561 1.00 40.11 H new ATOM 0 HB VAL A 47 -6.756 0.154 9.721 1.00 51.54 H new ATOM 0 HG11 VAL A 47 -8.650 1.357 8.711 1.00 13.43 H new ATOM 0 HG12 VAL A 47 -8.006 0.104 7.623 1.00 13.43 H new ATOM 0 HG13 VAL A 47 -9.519 -0.183 8.515 1.00 13.43 H new ATOM 0 HG21 VAL A 47 -8.536 1.063 11.160 1.00 5.24 H new ATOM 0 HG22 VAL A 47 -9.399 -0.490 11.066 1.00 5.24 H new ATOM 0 HG23 VAL A 47 -7.807 -0.403 11.857 1.00 5.24 H new ATOM 673 N THR A 48 -7.452 -3.078 7.449 1.00 0.42 N ATOM 674 CA THR A 48 -6.933 -3.430 6.133 1.00 64.03 C ATOM 675 C THR A 48 -7.107 -2.280 5.148 1.00 54.43 C ATOM 676 O THR A 48 -6.183 -1.938 4.409 1.00 43.01 O ATOM 677 CB THR A 48 -7.631 -4.683 5.570 1.00 44.04 C ATOM 678 OG1 THR A 48 -8.067 -5.524 6.643 1.00 60.12 O ATOM 679 CG2 THR A 48 -6.695 -5.459 4.657 1.00 23.42 C ATOM 0 H THR A 48 -8.237 -3.650 7.759 1.00 0.42 H new ATOM 0 HA THR A 48 -5.871 -3.640 6.258 1.00 64.03 H new ATOM 0 HB THR A 48 -8.495 -4.361 4.988 1.00 44.04 H new ATOM 0 HG1 THR A 48 -7.928 -6.463 6.400 1.00 60.12 H new ATOM 0 HG21 THR A 48 -7.210 -6.339 4.272 1.00 23.42 H new ATOM 0 HG22 THR A 48 -6.389 -4.824 3.825 1.00 23.42 H new ATOM 0 HG23 THR A 48 -5.814 -5.771 5.219 1.00 23.42 H new ATOM 687 N SER A 49 -8.295 -1.685 5.143 1.00 42.04 N ATOM 688 CA SER A 49 -8.591 -0.574 4.247 1.00 51.43 C ATOM 689 C SER A 49 -9.515 0.436 4.918 1.00 64.14 C ATOM 690 O SER A 49 -10.363 0.072 5.733 1.00 42.31 O ATOM 691 CB SER A 49 -9.232 -1.089 2.956 1.00 53.00 C ATOM 692 OG SER A 49 -8.244 -1.472 2.014 1.00 51.43 O ATOM 0 H SER A 49 -9.069 -1.954 5.750 1.00 42.04 H new ATOM 0 HA SER A 49 -7.652 -0.076 4.006 1.00 51.43 H new ATOM 0 HB2 SER A 49 -9.875 -1.940 3.180 1.00 53.00 H new ATOM 0 HB3 SER A 49 -9.867 -0.314 2.527 1.00 53.00 H new ATOM 0 HG SER A 49 -7.418 -1.711 2.485 1.00 51.43 H new ATOM 698 N ALA A 50 -9.346 1.707 4.571 1.00 42.15 N ATOM 699 CA ALA A 50 -10.166 2.771 5.139 1.00 14.02 C ATOM 700 C ALA A 50 -10.546 3.796 4.076 1.00 41.35 C ATOM 701 O ALA A 50 -9.922 3.869 3.018 1.00 30.41 O ATOM 702 CB ALA A 50 -9.432 3.446 6.289 1.00 64.01 C ATOM 0 H ALA A 50 -8.648 2.026 3.899 1.00 42.15 H new ATOM 0 HA ALA A 50 -11.084 2.325 5.521 1.00 14.02 H new ATOM 0 HB1 ALA A 50 -10.056 4.238 6.704 1.00 64.01 H new ATOM 0 HB2 ALA A 50 -9.216 2.711 7.064 1.00 64.01 H new ATOM 0 HB3 ALA A 50 -8.498 3.873 5.924 1.00 64.01 H new ATOM 708 N TRP A 51 -11.572 4.587 4.366 1.00 43.51 N ATOM 709 CA TRP A 51 -12.036 5.610 3.434 1.00 34.43 C ATOM 710 C TRP A 51 -12.539 6.841 4.182 1.00 14.44 C ATOM 711 O TRP A 51 -13.112 6.729 5.265 1.00 32.34 O ATOM 712 CB TRP A 51 -13.147 5.051 2.543 1.00 32.23 C ATOM 713 CG TRP A 51 -14.214 4.327 3.308 1.00 41.23 C ATOM 714 CD1 TRP A 51 -15.170 4.886 4.108 1.00 25.25 C ATOM 715 CD2 TRP A 51 -14.431 2.913 3.345 1.00 63.52 C ATOM 716 NE1 TRP A 51 -15.969 3.903 4.640 1.00 33.44 N ATOM 717 CE2 TRP A 51 -15.537 2.684 4.188 1.00 5.03 C ATOM 718 CE3 TRP A 51 -13.801 1.818 2.749 1.00 25.03 C ATOM 719 CZ2 TRP A 51 -16.023 1.405 4.446 1.00 63.44 C ATOM 720 CZ3 TRP A 51 -14.285 0.549 3.006 1.00 74.41 C ATOM 721 CH2 TRP A 51 -15.387 0.351 3.849 1.00 4.21 C ATOM 0 H TRP A 51 -12.099 4.541 5.238 1.00 43.51 H new ATOM 0 HA TRP A 51 -11.193 5.906 2.810 1.00 34.43 H new ATOM 0 HB2 TRP A 51 -13.602 5.869 1.985 1.00 32.23 H new ATOM 0 HB3 TRP A 51 -12.709 4.371 1.812 1.00 32.23 H new ATOM 0 HD1 TRP A 51 -15.281 5.944 4.295 1.00 25.25 H new ATOM 0 HE1 TRP A 51 -16.757 4.056 5.270 1.00 33.44 H new ATOM 0 HE3 TRP A 51 -12.951 1.960 2.099 1.00 25.03 H new ATOM 0 HZ2 TRP A 51 -16.872 1.250 5.095 1.00 63.44 H new ATOM 0 HZ3 TRP A 51 -13.806 -0.304 2.549 1.00 74.41 H new ATOM 0 HH2 TRP A 51 -15.741 -0.653 4.031 1.00 4.21 H new ATOM 732 N ASP A 52 -12.319 8.013 3.597 1.00 14.34 N ATOM 733 CA ASP A 52 -12.750 9.265 4.207 1.00 22.42 C ATOM 734 C ASP A 52 -12.015 9.510 5.521 1.00 50.42 C ATOM 735 O ASP A 52 -12.414 10.359 6.318 1.00 22.42 O ATOM 736 CB ASP A 52 -14.260 9.244 4.450 1.00 60.25 C ATOM 737 CG ASP A 52 -14.956 10.461 3.872 1.00 11.42 C ATOM 738 OD1 ASP A 52 -15.158 10.498 2.640 1.00 3.42 O ATOM 739 OD2 ASP A 52 -15.300 11.374 4.650 1.00 51.21 O ATOM 0 H ASP A 52 -11.845 8.122 2.701 1.00 14.34 H new ATOM 0 HA ASP A 52 -12.511 10.077 3.520 1.00 22.42 H new ATOM 0 HB2 ASP A 52 -14.684 8.342 4.008 1.00 60.25 H new ATOM 0 HB3 ASP A 52 -14.452 9.194 5.522 1.00 60.25 H new ATOM 744 N ALA A 53 -10.939 8.762 5.739 1.00 73.42 N ATOM 745 CA ALA A 53 -10.147 8.899 6.956 1.00 41.50 C ATOM 746 C ALA A 53 -8.878 8.055 6.884 1.00 5.42 C ATOM 747 O ALA A 53 -8.922 6.835 7.042 1.00 74.53 O ATOM 748 CB ALA A 53 -10.975 8.508 8.171 1.00 54.23 C ATOM 0 H ALA A 53 -10.595 8.055 5.089 1.00 73.42 H new ATOM 0 HA ALA A 53 -9.852 9.944 7.052 1.00 41.50 H new ATOM 0 HB1 ALA A 53 -10.371 8.615 9.072 1.00 54.23 H new ATOM 0 HB2 ALA A 53 -11.848 9.156 8.240 1.00 54.23 H new ATOM 0 HB3 ALA A 53 -11.299 7.472 8.072 1.00 54.23 H new ATOM 754 N THR A 54 -7.749 8.713 6.642 1.00 10.35 N ATOM 755 CA THR A 54 -6.469 8.023 6.546 1.00 73.11 C ATOM 756 C THR A 54 -6.120 7.327 7.856 1.00 60.53 C ATOM 757 O THR A 54 -5.553 7.936 8.763 1.00 50.53 O ATOM 758 CB THR A 54 -5.332 8.995 6.176 1.00 3.14 C ATOM 759 OG1 THR A 54 -5.761 9.873 5.130 1.00 63.11 O ATOM 760 CG2 THR A 54 -4.092 8.234 5.730 1.00 65.33 C ATOM 0 H THR A 54 -7.695 9.723 6.509 1.00 10.35 H new ATOM 0 HA THR A 54 -6.571 7.278 5.757 1.00 73.11 H new ATOM 0 HB THR A 54 -5.081 9.579 7.061 1.00 3.14 H new ATOM 0 HG1 THR A 54 -6.228 10.642 5.519 1.00 63.11 H new ATOM 0 HG21 THR A 54 -3.303 8.942 5.474 1.00 65.33 H new ATOM 0 HG22 THR A 54 -3.751 7.588 6.539 1.00 65.33 H new ATOM 0 HG23 THR A 54 -4.332 7.627 4.857 1.00 65.33 H new ATOM 768 N VAL A 55 -6.462 6.046 7.950 1.00 23.43 N ATOM 769 CA VAL A 55 -6.184 5.266 9.150 1.00 52.11 C ATOM 770 C VAL A 55 -4.833 4.566 9.049 1.00 63.04 C ATOM 771 O VAL A 55 -4.650 3.658 8.238 1.00 45.24 O ATOM 772 CB VAL A 55 -7.278 4.212 9.402 1.00 4.22 C ATOM 773 CG1 VAL A 55 -6.954 3.389 10.640 1.00 10.52 C ATOM 774 CG2 VAL A 55 -8.639 4.879 9.537 1.00 1.31 C ATOM 0 H VAL A 55 -6.932 5.526 7.209 1.00 23.43 H new ATOM 0 HA VAL A 55 -6.167 5.966 9.985 1.00 52.11 H new ATOM 0 HB VAL A 55 -7.312 3.538 8.546 1.00 4.22 H new ATOM 0 HG11 VAL A 55 -7.739 2.650 10.801 1.00 10.52 H new ATOM 0 HG12 VAL A 55 -6.000 2.881 10.500 1.00 10.52 H new ATOM 0 HG13 VAL A 55 -6.891 4.046 11.507 1.00 10.52 H new ATOM 0 HG21 VAL A 55 -9.400 4.120 9.715 1.00 1.31 H new ATOM 0 HG22 VAL A 55 -8.621 5.577 10.374 1.00 1.31 H new ATOM 0 HG23 VAL A 55 -8.872 5.419 8.619 1.00 1.31 H new ATOM 784 N THR A 56 -3.887 4.994 9.881 1.00 24.24 N ATOM 785 CA THR A 56 -2.552 4.409 9.885 1.00 63.11 C ATOM 786 C THR A 56 -2.344 3.525 11.110 1.00 54.12 C ATOM 787 O THR A 56 -3.200 3.456 11.990 1.00 72.04 O ATOM 788 CB THR A 56 -1.463 5.497 9.860 1.00 32.03 C ATOM 789 OG1 THR A 56 -0.185 4.905 9.601 1.00 15.51 O ATOM 790 CG2 THR A 56 -1.419 6.250 11.180 1.00 45.35 C ATOM 0 H THR A 56 -4.021 5.743 10.560 1.00 24.24 H new ATOM 0 HA THR A 56 -2.469 3.802 8.984 1.00 63.11 H new ATOM 0 HB THR A 56 -1.705 6.203 9.065 1.00 32.03 H new ATOM 0 HG1 THR A 56 0.502 5.604 9.585 1.00 15.51 H new ATOM 0 HG21 THR A 56 -0.642 7.013 11.138 1.00 45.35 H new ATOM 0 HG22 THR A 56 -2.384 6.724 11.361 1.00 45.35 H new ATOM 0 HG23 THR A 56 -1.200 5.553 11.989 1.00 45.35 H new ATOM 798 N ASN A 57 -1.199 2.851 11.158 1.00 34.32 N ATOM 799 CA ASN A 57 -0.878 1.971 12.277 1.00 1.45 C ATOM 800 C ASN A 57 0.514 2.272 12.822 1.00 55.10 C ATOM 801 O ASN A 57 1.366 2.812 12.116 1.00 33.45 O ATOM 802 CB ASN A 57 -0.962 0.507 11.840 1.00 74.40 C ATOM 803 CG ASN A 57 0.334 0.010 11.230 1.00 15.23 C ATOM 804 OD1 ASN A 57 1.219 -0.476 11.934 1.00 74.31 O ATOM 805 ND2 ASN A 57 0.453 0.131 9.912 1.00 64.25 N ATOM 0 H ASN A 57 -0.479 2.897 10.437 1.00 34.32 H new ATOM 0 HA ASN A 57 -1.605 2.149 13.069 1.00 1.45 H new ATOM 0 HB2 ASN A 57 -1.216 -0.112 12.700 1.00 74.40 H new ATOM 0 HB3 ASN A 57 -1.769 0.393 11.116 1.00 74.40 H new ATOM 0 HD21 ASN A 57 1.303 -0.185 9.446 1.00 64.25 H new ATOM 0 HD22 ASN A 57 -0.306 0.540 9.367 1.00 64.25 H new ATOM 812 N SER A 58 0.740 1.917 14.083 1.00 62.13 N ATOM 813 CA SER A 58 2.028 2.152 14.726 1.00 25.34 C ATOM 814 C SER A 58 2.210 1.232 15.929 1.00 31.24 C ATOM 815 O SER A 58 1.925 1.610 17.064 1.00 42.55 O ATOM 816 CB SER A 58 2.143 3.613 15.165 1.00 33.11 C ATOM 817 OG SER A 58 0.864 4.210 15.295 1.00 55.20 O ATOM 0 H SER A 58 0.047 1.465 14.680 1.00 62.13 H new ATOM 0 HA SER A 58 2.813 1.934 14.002 1.00 25.34 H new ATOM 0 HB2 SER A 58 2.672 3.669 16.116 1.00 33.11 H new ATOM 0 HB3 SER A 58 2.735 4.169 14.438 1.00 33.11 H new ATOM 0 HG SER A 58 0.301 3.654 15.873 1.00 55.20 H new ATOM 823 N GLY A 59 2.688 0.018 15.670 1.00 33.31 N ATOM 824 CA GLY A 59 2.901 -0.939 16.740 1.00 55.31 C ATOM 825 C GLY A 59 1.605 -1.535 17.252 1.00 44.45 C ATOM 826 O GLY A 59 1.121 -2.535 16.722 1.00 52.25 O ATOM 0 H GLY A 59 2.931 -0.319 14.739 1.00 33.31 H new ATOM 0 HA2 GLY A 59 3.549 -1.739 16.383 1.00 55.31 H new ATOM 0 HA3 GLY A 59 3.422 -0.449 17.563 1.00 55.31 H new ATOM 830 N ASP A 60 1.041 -0.919 18.286 1.00 0.04 N ATOM 831 CA ASP A 60 -0.207 -1.395 18.871 1.00 23.35 C ATOM 832 C ASP A 60 -1.234 -0.270 18.950 1.00 42.45 C ATOM 833 O ASP A 60 -2.262 -0.397 19.616 1.00 35.11 O ATOM 834 CB ASP A 60 0.044 -1.972 20.265 1.00 40.13 C ATOM 835 CG ASP A 60 1.110 -1.206 21.024 1.00 13.04 C ATOM 836 OD1 ASP A 60 2.302 -1.549 20.879 1.00 73.05 O ATOM 837 OD2 ASP A 60 0.753 -0.265 21.763 1.00 20.43 O ATOM 0 H ASP A 60 1.428 -0.089 18.736 1.00 0.04 H new ATOM 0 HA ASP A 60 -0.604 -2.181 18.228 1.00 23.35 H new ATOM 0 HB2 ASP A 60 -0.885 -1.957 20.834 1.00 40.13 H new ATOM 0 HB3 ASP A 60 0.345 -3.016 20.175 1.00 40.13 H new ATOM 842 N HIS A 61 -0.949 0.834 18.265 1.00 73.41 N ATOM 843 CA HIS A 61 -1.847 1.983 18.259 1.00 42.42 C ATOM 844 C HIS A 61 -2.232 2.363 16.832 1.00 64.23 C ATOM 845 O HIS A 61 -1.440 2.208 15.903 1.00 42.33 O ATOM 846 CB HIS A 61 -1.190 3.175 18.956 1.00 73.22 C ATOM 847 CG HIS A 61 -1.925 4.465 18.758 1.00 32.34 C ATOM 848 ND1 HIS A 61 -2.766 5.005 19.709 1.00 53.23 N ATOM 849 CD2 HIS A 61 -1.941 5.323 17.712 1.00 65.23 C ATOM 850 CE1 HIS A 61 -3.268 6.140 19.254 1.00 63.31 C ATOM 851 NE2 HIS A 61 -2.784 6.355 18.045 1.00 11.23 N ATOM 0 H HIS A 61 -0.104 0.956 17.707 1.00 73.41 H new ATOM 0 HA HIS A 61 -2.752 1.708 18.801 1.00 42.42 H new ATOM 0 HB2 HIS A 61 -1.119 2.967 20.024 1.00 73.22 H new ATOM 0 HB3 HIS A 61 -0.171 3.286 18.585 1.00 73.22 H new ATOM 0 HD1 HIS A 61 -2.969 4.593 20.620 1.00 53.23 H new ATOM 0 HD2 HIS A 61 -1.393 5.216 16.787 1.00 65.23 H new ATOM 0 HE1 HIS A 61 -3.957 6.782 19.782 1.00 63.31 H new ATOM 859 N TRP A 62 -3.454 2.858 16.667 1.00 55.11 N ATOM 860 CA TRP A 62 -3.944 3.259 15.353 1.00 64.34 C ATOM 861 C TRP A 62 -4.572 4.647 15.407 1.00 45.13 C ATOM 862 O TRP A 62 -5.175 5.029 16.410 1.00 64.13 O ATOM 863 CB TRP A 62 -4.965 2.244 14.837 1.00 2.21 C ATOM 864 CG TRP A 62 -4.354 0.929 14.453 1.00 44.52 C ATOM 865 CD1 TRP A 62 -3.784 0.015 15.291 1.00 62.14 C ATOM 866 CD2 TRP A 62 -4.252 0.386 13.133 1.00 13.33 C ATOM 867 NE1 TRP A 62 -3.332 -1.065 14.571 1.00 65.31 N ATOM 868 CE2 TRP A 62 -3.609 -0.862 13.245 1.00 53.13 C ATOM 869 CE3 TRP A 62 -4.642 0.830 11.867 1.00 61.10 C ATOM 870 CZ2 TRP A 62 -3.347 -1.667 12.140 1.00 30.14 C ATOM 871 CZ3 TRP A 62 -4.382 0.031 10.770 1.00 3.02 C ATOM 872 CH2 TRP A 62 -3.740 -1.207 10.912 1.00 20.24 C ATOM 0 H TRP A 62 -4.123 2.991 17.426 1.00 55.11 H new ATOM 0 HA TRP A 62 -3.095 3.291 14.670 1.00 64.34 H new ATOM 0 HB2 TRP A 62 -5.719 2.075 15.606 1.00 2.21 H new ATOM 0 HB3 TRP A 62 -5.479 2.664 13.972 1.00 2.21 H new ATOM 0 HD1 TRP A 62 -3.700 0.124 16.362 1.00 62.14 H new ATOM 0 HE1 TRP A 62 -2.866 -1.884 14.961 1.00 65.31 H new ATOM 0 HE3 TRP A 62 -5.138 1.782 11.748 1.00 61.10 H new ATOM 0 HZ2 TRP A 62 -2.851 -2.620 12.248 1.00 30.14 H new ATOM 0 HZ3 TRP A 62 -4.678 0.366 9.787 1.00 3.02 H new ATOM 0 HH2 TRP A 62 -3.552 -1.810 10.036 1.00 20.24 H new ATOM 883 N THR A 63 -4.427 5.399 14.321 1.00 43.44 N ATOM 884 CA THR A 63 -4.979 6.746 14.245 1.00 4.50 C ATOM 885 C THR A 63 -5.539 7.034 12.857 1.00 33.21 C ATOM 886 O THR A 63 -4.992 6.584 11.851 1.00 15.05 O ATOM 887 CB THR A 63 -3.917 7.809 14.588 1.00 42.11 C ATOM 888 OG1 THR A 63 -4.429 9.119 14.316 1.00 72.00 O ATOM 889 CG2 THR A 63 -2.644 7.580 13.787 1.00 71.30 C ATOM 0 H THR A 63 -3.932 5.098 13.482 1.00 43.44 H new ATOM 0 HA THR A 63 -5.785 6.798 14.977 1.00 4.50 H new ATOM 0 HB THR A 63 -3.680 7.725 15.649 1.00 42.11 H new ATOM 0 HG1 THR A 63 -4.161 9.730 15.033 1.00 72.00 H new ATOM 0 HG21 THR A 63 -1.909 8.342 14.046 1.00 71.30 H new ATOM 0 HG22 THR A 63 -2.241 6.594 14.018 1.00 71.30 H new ATOM 0 HG23 THR A 63 -2.869 7.639 12.722 1.00 71.30 H new ATOM 897 N ALA A 64 -6.632 7.788 12.809 1.00 71.21 N ATOM 898 CA ALA A 64 -7.265 8.137 11.543 1.00 53.24 C ATOM 899 C ALA A 64 -7.298 9.649 11.346 1.00 23.42 C ATOM 900 O ALA A 64 -7.667 10.396 12.252 1.00 51.33 O ATOM 901 CB ALA A 64 -8.672 7.563 11.480 1.00 72.01 C ATOM 0 H ALA A 64 -7.098 8.169 13.632 1.00 71.21 H new ATOM 0 HA ALA A 64 -6.673 7.704 10.737 1.00 53.24 H new ATOM 0 HB1 ALA A 64 -9.132 7.832 10.529 1.00 72.01 H new ATOM 0 HB2 ALA A 64 -8.626 6.477 11.567 1.00 72.01 H new ATOM 0 HB3 ALA A 64 -9.267 7.968 12.298 1.00 72.01 H new ATOM 907 N LYS A 65 -6.912 10.094 10.155 1.00 52.21 N ATOM 908 CA LYS A 65 -6.898 11.517 9.837 1.00 70.44 C ATOM 909 C LYS A 65 -7.317 11.755 8.390 1.00 44.13 C ATOM 910 O LYS A 65 -6.765 11.157 7.468 1.00 53.03 O ATOM 911 CB LYS A 65 -5.505 12.102 10.079 1.00 10.22 C ATOM 912 CG LYS A 65 -4.810 11.531 11.303 1.00 72.23 C ATOM 913 CD LYS A 65 -4.010 10.286 10.961 1.00 12.55 C ATOM 914 CE LYS A 65 -2.581 10.381 11.474 1.00 4.20 C ATOM 915 NZ LYS A 65 -2.535 10.697 12.929 1.00 12.12 N ATOM 0 H LYS A 65 -6.604 9.489 9.393 1.00 52.21 H new ATOM 0 HA LYS A 65 -7.613 12.017 10.491 1.00 70.44 H new ATOM 0 HB2 LYS A 65 -4.886 11.919 9.201 1.00 10.22 H new ATOM 0 HB3 LYS A 65 -5.588 13.183 10.190 1.00 10.22 H new ATOM 0 HG2 LYS A 65 -4.148 12.284 11.731 1.00 72.23 H new ATOM 0 HG3 LYS A 65 -5.552 11.290 12.064 1.00 72.23 H new ATOM 0 HD2 LYS A 65 -4.495 9.411 11.393 1.00 12.55 H new ATOM 0 HD3 LYS A 65 -4.001 10.144 9.880 1.00 12.55 H new ATOM 0 HE2 LYS A 65 -2.066 9.438 11.290 1.00 4.20 H new ATOM 0 HE3 LYS A 65 -2.046 11.151 10.918 1.00 4.20 H new ATOM 0 HZ1 LYS A 65 -1.627 10.380 13.324 1.00 12.12 H new ATOM 0 HZ2 LYS A 65 -2.633 11.723 13.065 1.00 12.12 H new ATOM 0 HZ3 LYS A 65 -3.313 10.208 13.415 1.00 12.12 H new ATOM 929 N ASN A 66 -8.296 12.634 8.198 1.00 50.24 N ATOM 930 CA ASN A 66 -8.788 12.952 6.863 1.00 14.02 C ATOM 931 C ASN A 66 -8.360 14.355 6.445 1.00 53.44 C ATOM 932 O ASN A 66 -8.132 14.622 5.266 1.00 11.15 O ATOM 933 CB ASN A 66 -10.312 12.836 6.818 1.00 5.42 C ATOM 934 CG ASN A 66 -10.838 12.678 5.404 1.00 65.11 C ATOM 935 OD1 ASN A 66 -11.738 13.402 4.980 1.00 63.11 O ATOM 936 ND2 ASN A 66 -10.277 11.726 4.667 1.00 41.52 N ATOM 0 H ASN A 66 -8.764 13.139 8.951 1.00 50.24 H new ATOM 0 HA ASN A 66 -8.355 12.237 6.163 1.00 14.02 H new ATOM 0 HB2 ASN A 66 -10.627 11.982 7.417 1.00 5.42 H new ATOM 0 HB3 ASN A 66 -10.755 13.723 7.271 1.00 5.42 H new ATOM 0 HD21 ASN A 66 -10.590 11.572 3.708 1.00 41.52 H new ATOM 0 HD22 ASN A 66 -9.533 11.149 5.060 1.00 41.52 H new ATOM 943 N VAL A 67 -8.252 15.251 7.422 1.00 22.41 N ATOM 944 CA VAL A 67 -7.851 16.627 7.158 1.00 12.21 C ATOM 945 C VAL A 67 -6.401 16.863 7.564 1.00 41.44 C ATOM 946 O VAL A 67 -6.062 17.914 8.108 1.00 74.50 O ATOM 947 CB VAL A 67 -8.752 17.629 7.903 1.00 31.53 C ATOM 948 CG1 VAL A 67 -10.107 17.739 7.221 1.00 71.52 C ATOM 949 CG2 VAL A 67 -8.911 17.218 9.360 1.00 65.44 C ATOM 0 H VAL A 67 -8.437 15.047 8.404 1.00 22.41 H new ATOM 0 HA VAL A 67 -7.956 16.787 6.085 1.00 12.21 H new ATOM 0 HB VAL A 67 -8.278 18.610 7.874 1.00 31.53 H new ATOM 0 HG11 VAL A 67 -10.730 18.452 7.762 1.00 71.52 H new ATOM 0 HG12 VAL A 67 -9.971 18.081 6.195 1.00 71.52 H new ATOM 0 HG13 VAL A 67 -10.592 16.763 7.217 1.00 71.52 H new ATOM 0 HG21 VAL A 67 -9.551 17.936 9.873 1.00 65.44 H new ATOM 0 HG22 VAL A 67 -9.364 16.228 9.411 1.00 65.44 H new ATOM 0 HG23 VAL A 67 -7.933 17.195 9.840 1.00 65.44 H new ATOM 959 N GLY A 68 -5.548 15.880 7.296 1.00 14.20 N ATOM 960 CA GLY A 68 -4.143 16.000 7.640 1.00 45.24 C ATOM 961 C GLY A 68 -3.373 16.845 6.644 1.00 10.14 C ATOM 962 O GLY A 68 -2.159 17.005 6.764 1.00 75.23 O ATOM 0 H GLY A 68 -5.805 15.001 6.846 1.00 14.20 H new ATOM 0 HA2 GLY A 68 -4.051 16.440 8.633 1.00 45.24 H new ATOM 0 HA3 GLY A 68 -3.698 15.006 7.690 1.00 45.24 H new ATOM 966 N TRP A 69 -4.079 17.384 5.657 1.00 65.31 N ATOM 967 CA TRP A 69 -3.454 18.215 4.635 1.00 53.22 C ATOM 968 C TRP A 69 -4.006 19.636 4.674 1.00 74.23 C ATOM 969 O TRP A 69 -3.287 20.598 4.408 1.00 65.14 O ATOM 970 CB TRP A 69 -3.674 17.607 3.248 1.00 73.15 C ATOM 971 CG TRP A 69 -4.936 16.805 3.146 1.00 31.03 C ATOM 972 CD1 TRP A 69 -5.099 15.489 3.474 1.00 11.13 C ATOM 973 CD2 TRP A 69 -6.209 17.266 2.683 1.00 11.34 C ATOM 974 NE1 TRP A 69 -6.397 15.104 3.242 1.00 41.03 N ATOM 975 CE2 TRP A 69 -7.099 16.176 2.758 1.00 21.24 C ATOM 976 CE3 TRP A 69 -6.686 18.493 2.214 1.00 54.35 C ATOM 977 CZ2 TRP A 69 -8.436 16.279 2.380 1.00 55.21 C ATOM 978 CZ3 TRP A 69 -8.012 18.594 1.839 1.00 35.34 C ATOM 979 CH2 TRP A 69 -8.874 17.493 1.924 1.00 31.11 C ATOM 0 H TRP A 69 -5.085 17.260 5.543 1.00 65.31 H new ATOM 0 HA TRP A 69 -2.384 18.256 4.841 1.00 53.22 H new ATOM 0 HB2 TRP A 69 -3.699 18.407 2.508 1.00 73.15 H new ATOM 0 HB3 TRP A 69 -2.825 16.970 3.000 1.00 73.15 H new ATOM 0 HD1 TRP A 69 -4.322 14.846 3.859 1.00 11.13 H new ATOM 0 HE1 TRP A 69 -6.777 14.171 3.404 1.00 41.03 H new ATOM 0 HE3 TRP A 69 -6.029 19.348 2.146 1.00 54.35 H new ATOM 0 HZ2 TRP A 69 -9.103 15.432 2.444 1.00 55.21 H new ATOM 0 HZ3 TRP A 69 -8.390 19.538 1.474 1.00 35.34 H new ATOM 0 HH2 TRP A 69 -9.905 17.604 1.624 1.00 31.11 H new ATOM 990 N ASN A 70 -5.286 19.758 5.009 1.00 45.24 N ATOM 991 CA ASN A 70 -5.934 21.064 5.083 1.00 21.14 C ATOM 992 C ASN A 70 -6.078 21.518 6.532 1.00 22.22 C ATOM 993 O ASN A 70 -5.613 22.594 6.905 1.00 64.12 O ATOM 994 CB ASN A 70 -7.309 21.011 4.413 1.00 71.11 C ATOM 995 CG ASN A 70 -7.373 21.856 3.156 1.00 52.54 C ATOM 996 OD1 ASN A 70 -7.145 21.365 2.051 1.00 30.33 O ATOM 997 ND2 ASN A 70 -7.684 23.137 3.320 1.00 43.42 N ATOM 0 H ASN A 70 -5.895 18.971 5.233 1.00 45.24 H new ATOM 0 HA ASN A 70 -5.308 21.784 4.557 1.00 21.14 H new ATOM 0 HB2 ASN A 70 -7.550 19.977 4.165 1.00 71.11 H new ATOM 0 HB3 ASN A 70 -8.067 21.355 5.117 1.00 71.11 H new ATOM 0 HD21 ASN A 70 -7.741 23.755 2.511 1.00 43.42 H new ATOM 0 HD22 ASN A 70 -7.865 23.502 4.255 1.00 43.42 H new ATOM 1004 N GLY A 71 -6.726 20.689 7.345 1.00 35.24 N ATOM 1005 CA GLY A 71 -6.920 21.022 8.744 1.00 52.11 C ATOM 1006 C GLY A 71 -7.897 22.165 8.938 1.00 54.32 C ATOM 1007 O GLY A 71 -7.620 23.111 9.677 1.00 74.42 O ATOM 0 H GLY A 71 -7.120 19.793 7.059 1.00 35.24 H new ATOM 0 HA2 GLY A 71 -7.284 20.143 9.276 1.00 52.11 H new ATOM 0 HA3 GLY A 71 -5.961 21.289 9.187 1.00 52.11 H new ATOM 1011 N THR A 72 -9.043 22.082 8.270 1.00 75.43 N ATOM 1012 CA THR A 72 -10.063 23.117 8.370 1.00 40.22 C ATOM 1013 C THR A 72 -11.409 22.527 8.774 1.00 61.11 C ATOM 1014 O THR A 72 -11.949 21.659 8.087 1.00 74.12 O ATOM 1015 CB THR A 72 -10.226 23.876 7.039 1.00 61.10 C ATOM 1016 OG1 THR A 72 -11.420 24.666 7.069 1.00 14.30 O ATOM 1017 CG2 THR A 72 -10.282 22.907 5.868 1.00 22.23 C ATOM 0 H THR A 72 -9.288 21.307 7.653 1.00 75.43 H new ATOM 0 HA THR A 72 -9.730 23.814 9.139 1.00 40.22 H new ATOM 0 HB THR A 72 -9.363 24.529 6.909 1.00 61.10 H new ATOM 0 HG1 THR A 72 -11.516 25.146 6.220 1.00 14.30 H new ATOM 0 HG21 THR A 72 -10.397 23.465 4.939 1.00 22.23 H new ATOM 0 HG22 THR A 72 -9.360 22.327 5.831 1.00 22.23 H new ATOM 0 HG23 THR A 72 -11.129 22.233 5.994 1.00 22.23 H new ATOM 1025 N LEU A 73 -11.947 23.003 9.891 1.00 5.31 N ATOM 1026 CA LEU A 73 -13.233 22.522 10.387 1.00 2.41 C ATOM 1027 C LEU A 73 -13.967 23.620 11.150 1.00 43.03 C ATOM 1028 O LEU A 73 -13.361 24.599 11.585 1.00 70.34 O ATOM 1029 CB LEU A 73 -13.030 21.305 11.289 1.00 30.32 C ATOM 1030 CG LEU A 73 -14.256 20.414 11.500 1.00 55.33 C ATOM 1031 CD1 LEU A 73 -13.975 18.998 11.022 1.00 72.43 C ATOM 1032 CD2 LEU A 73 -14.669 20.412 12.965 1.00 51.35 C ATOM 0 H LEU A 73 -11.513 23.721 10.471 1.00 5.31 H new ATOM 0 HA LEU A 73 -13.841 22.233 9.530 1.00 2.41 H new ATOM 0 HB2 LEU A 73 -12.231 20.695 10.868 1.00 30.32 H new ATOM 0 HB3 LEU A 73 -12.686 21.653 12.263 1.00 30.32 H new ATOM 0 HG LEU A 73 -15.080 20.818 10.912 1.00 55.33 H new ATOM 0 HD11 LEU A 73 -14.858 18.379 11.180 1.00 72.43 H new ATOM 0 HD12 LEU A 73 -13.729 19.015 9.960 1.00 72.43 H new ATOM 0 HD13 LEU A 73 -13.137 18.584 11.583 1.00 72.43 H new ATOM 0 HD21 LEU A 73 -15.542 19.773 13.096 1.00 51.35 H new ATOM 0 HD22 LEU A 73 -13.848 20.034 13.574 1.00 51.35 H new ATOM 0 HD23 LEU A 73 -14.913 21.428 13.276 1.00 51.35 H new ATOM 1044 N ALA A 74 -15.275 23.449 11.312 1.00 33.34 N ATOM 1045 CA ALA A 74 -16.091 24.421 12.027 1.00 4.14 C ATOM 1046 C ALA A 74 -16.364 23.964 13.456 1.00 61.04 C ATOM 1047 O ALA A 74 -16.189 22.797 13.804 1.00 32.35 O ATOM 1048 CB ALA A 74 -17.400 24.658 11.287 1.00 72.01 C ATOM 0 H ALA A 74 -15.792 22.645 10.957 1.00 33.34 H new ATOM 0 HA ALA A 74 -15.538 25.359 12.073 1.00 4.14 H new ATOM 0 HB1 ALA A 74 -18.000 25.386 11.833 1.00 72.01 H new ATOM 0 HB2 ALA A 74 -17.189 25.038 10.287 1.00 72.01 H new ATOM 0 HB3 ALA A 74 -17.950 23.720 11.211 1.00 72.01 H new ATOM 1054 N PRO A 75 -16.802 24.905 14.305 1.00 24.22 N ATOM 1055 CA PRO A 75 -17.109 24.622 15.711 1.00 3.21 C ATOM 1056 C PRO A 75 -18.355 23.759 15.869 1.00 22.54 C ATOM 1057 O PRO A 75 -18.670 23.302 16.968 1.00 32.14 O ATOM 1058 CB PRO A 75 -17.342 26.011 16.309 1.00 54.13 C ATOM 1059 CG PRO A 75 -17.767 26.855 15.157 1.00 14.12 C ATOM 1060 CD PRO A 75 -17.035 26.317 13.959 1.00 10.42 C ATOM 0 HA PRO A 75 -16.311 24.061 16.198 1.00 3.21 H new ATOM 0 HB2 PRO A 75 -18.108 25.985 17.084 1.00 54.13 H new ATOM 0 HB3 PRO A 75 -16.435 26.400 16.771 1.00 54.13 H new ATOM 0 HG2 PRO A 75 -18.846 26.802 15.011 1.00 14.12 H new ATOM 0 HG3 PRO A 75 -17.519 27.903 15.328 1.00 14.12 H new ATOM 0 HD2 PRO A 75 -17.627 26.415 13.049 1.00 10.42 H new ATOM 0 HD3 PRO A 75 -16.099 26.848 13.789 1.00 10.42 H new ATOM 1068 N GLY A 76 -19.062 23.537 14.765 1.00 22.32 N ATOM 1069 CA GLY A 76 -20.266 22.728 14.804 1.00 51.00 C ATOM 1070 C GLY A 76 -20.502 21.977 13.508 1.00 33.24 C ATOM 1071 O GLY A 76 -20.744 22.585 12.466 1.00 74.21 O ATOM 0 H GLY A 76 -18.822 23.903 13.844 1.00 22.32 H new ATOM 0 HA2 GLY A 76 -20.195 22.015 15.626 1.00 51.00 H new ATOM 0 HA3 GLY A 76 -21.124 23.368 15.011 1.00 51.00 H new ATOM 1075 N ALA A 77 -20.431 20.652 13.573 1.00 55.10 N ATOM 1076 CA ALA A 77 -20.638 19.817 12.396 1.00 22.32 C ATOM 1077 C ALA A 77 -20.451 18.341 12.730 1.00 51.20 C ATOM 1078 O ALA A 77 -20.029 17.993 13.832 1.00 24.41 O ATOM 1079 CB ALA A 77 -19.691 20.232 11.281 1.00 10.44 C ATOM 0 H ALA A 77 -20.232 20.133 14.428 1.00 55.10 H new ATOM 0 HA ALA A 77 -21.664 19.958 12.057 1.00 22.32 H new ATOM 0 HB1 ALA A 77 -19.857 19.600 10.409 1.00 10.44 H new ATOM 0 HB2 ALA A 77 -19.876 21.273 11.015 1.00 10.44 H new ATOM 0 HB3 ALA A 77 -18.661 20.121 11.619 1.00 10.44 H new ATOM 1085 N SER A 78 -20.767 17.477 11.770 1.00 2.32 N ATOM 1086 CA SER A 78 -20.638 16.038 11.964 1.00 11.40 C ATOM 1087 C SER A 78 -19.841 15.405 10.826 1.00 43.31 C ATOM 1088 O SER A 78 -20.111 15.655 9.651 1.00 30.02 O ATOM 1089 CB SER A 78 -22.020 15.388 12.057 1.00 52.03 C ATOM 1090 OG SER A 78 -22.467 14.958 10.783 1.00 24.55 O ATOM 0 H SER A 78 -21.114 17.749 10.850 1.00 2.32 H new ATOM 0 HA SER A 78 -20.102 15.869 12.898 1.00 11.40 H new ATOM 0 HB2 SER A 78 -21.981 14.538 12.738 1.00 52.03 H new ATOM 0 HB3 SER A 78 -22.733 16.099 12.475 1.00 52.03 H new ATOM 0 HG SER A 78 -23.351 14.545 10.869 1.00 24.55 H new ATOM 1096 N VAL A 79 -18.859 14.585 11.184 1.00 74.23 N ATOM 1097 CA VAL A 79 -18.023 13.916 10.195 1.00 53.21 C ATOM 1098 C VAL A 79 -17.782 12.459 10.574 1.00 33.23 C ATOM 1099 O VAL A 79 -17.098 12.167 11.556 1.00 12.42 O ATOM 1100 CB VAL A 79 -16.665 14.625 10.035 1.00 72.40 C ATOM 1101 CG1 VAL A 79 -15.795 13.891 9.025 1.00 73.53 C ATOM 1102 CG2 VAL A 79 -16.867 16.074 9.623 1.00 53.55 C ATOM 0 H VAL A 79 -18.623 14.368 12.152 1.00 74.23 H new ATOM 0 HA VAL A 79 -18.560 13.958 9.247 1.00 53.21 H new ATOM 0 HB VAL A 79 -16.152 14.613 10.997 1.00 72.40 H new ATOM 0 HG11 VAL A 79 -14.840 14.406 8.925 1.00 73.53 H new ATOM 0 HG12 VAL A 79 -15.623 12.870 9.367 1.00 73.53 H new ATOM 0 HG13 VAL A 79 -16.299 13.870 8.059 1.00 73.53 H new ATOM 0 HG21 VAL A 79 -15.897 16.560 9.514 1.00 53.55 H new ATOM 0 HG22 VAL A 79 -17.400 16.111 8.673 1.00 53.55 H new ATOM 0 HG23 VAL A 79 -17.449 16.591 10.386 1.00 53.55 H new ATOM 1112 N SER A 80 -18.349 11.547 9.791 1.00 12.34 N ATOM 1113 CA SER A 80 -18.198 10.120 10.046 1.00 21.23 C ATOM 1114 C SER A 80 -17.330 9.465 8.976 1.00 11.05 C ATOM 1115 O SER A 80 -17.419 9.804 7.795 1.00 54.12 O ATOM 1116 CB SER A 80 -19.569 9.441 10.093 1.00 41.02 C ATOM 1117 OG SER A 80 -20.012 9.095 8.792 1.00 13.43 O ATOM 0 H SER A 80 -18.917 11.771 8.974 1.00 12.34 H new ATOM 0 HA SER A 80 -17.707 9.999 11.011 1.00 21.23 H new ATOM 0 HB2 SER A 80 -19.514 8.545 10.712 1.00 41.02 H new ATOM 0 HB3 SER A 80 -20.293 10.108 10.562 1.00 41.02 H new ATOM 0 HG SER A 80 -20.889 8.661 8.850 1.00 13.43 H new ATOM 1123 N PHE A 81 -16.491 8.524 9.397 1.00 22.01 N ATOM 1124 CA PHE A 81 -15.606 7.821 8.476 1.00 30.53 C ATOM 1125 C PHE A 81 -15.661 6.314 8.712 1.00 24.12 C ATOM 1126 O PHE A 81 -15.517 5.845 9.840 1.00 0.11 O ATOM 1127 CB PHE A 81 -14.168 8.321 8.636 1.00 23.24 C ATOM 1128 CG PHE A 81 -13.573 8.014 9.980 1.00 60.21 C ATOM 1129 CD1 PHE A 81 -13.759 8.877 11.048 1.00 40.12 C ATOM 1130 CD2 PHE A 81 -12.829 6.861 10.177 1.00 44.33 C ATOM 1131 CE1 PHE A 81 -13.212 8.598 12.287 1.00 1.22 C ATOM 1132 CE2 PHE A 81 -12.280 6.577 11.413 1.00 31.32 C ATOM 1133 CZ PHE A 81 -12.472 7.445 12.469 1.00 63.14 C ATOM 0 H PHE A 81 -16.406 8.231 10.370 1.00 22.01 H new ATOM 0 HA PHE A 81 -15.944 8.025 7.460 1.00 30.53 H new ATOM 0 HB2 PHE A 81 -13.547 7.871 7.861 1.00 23.24 H new ATOM 0 HB3 PHE A 81 -14.147 9.399 8.476 1.00 23.24 H new ATOM 0 HD1 PHE A 81 -14.338 9.778 10.911 1.00 40.12 H new ATOM 0 HD2 PHE A 81 -12.677 6.177 9.355 1.00 44.33 H new ATOM 0 HE1 PHE A 81 -13.363 9.280 13.111 1.00 1.22 H new ATOM 0 HE2 PHE A 81 -11.701 5.676 11.553 1.00 31.32 H new ATOM 0 HZ PHE A 81 -12.045 7.223 13.436 1.00 63.14 H new ATOM 1143 N GLY A 82 -15.873 5.561 7.637 1.00 5.34 N ATOM 1144 CA GLY A 82 -15.945 4.115 7.746 1.00 51.22 C ATOM 1145 C GLY A 82 -14.682 3.433 7.258 1.00 62.44 C ATOM 1146 O GLY A 82 -13.777 4.085 6.738 1.00 43.44 O ATOM 0 H GLY A 82 -15.996 5.926 6.693 1.00 5.34 H new ATOM 0 HA2 GLY A 82 -16.124 3.841 8.786 1.00 51.22 H new ATOM 0 HA3 GLY A 82 -16.796 3.752 7.170 1.00 51.22 H new ATOM 1150 N PHE A 83 -14.619 2.117 7.428 1.00 73.55 N ATOM 1151 CA PHE A 83 -13.457 1.346 7.005 1.00 52.42 C ATOM 1152 C PHE A 83 -13.698 -0.149 7.190 1.00 62.51 C ATOM 1153 O PHE A 83 -14.733 -0.561 7.711 1.00 32.21 O ATOM 1154 CB PHE A 83 -12.218 1.775 7.794 1.00 14.20 C ATOM 1155 CG PHE A 83 -12.174 1.220 9.189 1.00 12.32 C ATOM 1156 CD1 PHE A 83 -11.587 -0.010 9.441 1.00 21.33 C ATOM 1157 CD2 PHE A 83 -12.718 1.928 10.248 1.00 51.40 C ATOM 1158 CE1 PHE A 83 -11.545 -0.524 10.723 1.00 22.15 C ATOM 1159 CE2 PHE A 83 -12.677 1.420 11.533 1.00 12.12 C ATOM 1160 CZ PHE A 83 -12.091 0.192 11.771 1.00 2.55 C ATOM 0 H PHE A 83 -15.360 1.562 7.856 1.00 73.55 H new ATOM 0 HA PHE A 83 -13.291 1.541 5.946 1.00 52.42 H new ATOM 0 HB2 PHE A 83 -11.326 1.455 7.256 1.00 14.20 H new ATOM 0 HB3 PHE A 83 -12.187 2.863 7.843 1.00 14.20 H new ATOM 0 HD1 PHE A 83 -11.157 -0.573 8.626 1.00 21.33 H new ATOM 0 HD2 PHE A 83 -13.179 2.888 10.068 1.00 51.40 H new ATOM 0 HE1 PHE A 83 -11.086 -1.484 10.906 1.00 22.15 H new ATOM 0 HE2 PHE A 83 -13.103 1.983 12.350 1.00 12.12 H new ATOM 0 HZ PHE A 83 -12.060 -0.208 12.774 1.00 2.55 H new ATOM 1170 N ASN A 84 -12.734 -0.956 6.758 1.00 32.35 N ATOM 1171 CA ASN A 84 -12.842 -2.406 6.874 1.00 60.12 C ATOM 1172 C ASN A 84 -11.645 -2.982 7.625 1.00 72.23 C ATOM 1173 O ASN A 84 -10.495 -2.728 7.269 1.00 62.42 O ATOM 1174 CB ASN A 84 -12.943 -3.044 5.488 1.00 13.22 C ATOM 1175 CG ASN A 84 -14.225 -2.667 4.770 1.00 13.02 C ATOM 1176 OD1 ASN A 84 -14.206 -2.294 3.597 1.00 42.03 O ATOM 1177 ND2 ASN A 84 -15.347 -2.765 5.473 1.00 50.33 N ATOM 0 H ASN A 84 -11.870 -0.631 6.325 1.00 32.35 H new ATOM 0 HA ASN A 84 -13.747 -2.634 7.438 1.00 60.12 H new ATOM 0 HB2 ASN A 84 -12.088 -2.736 4.886 1.00 13.22 H new ATOM 0 HB3 ASN A 84 -12.890 -4.128 5.585 1.00 13.22 H new ATOM 0 HD21 ASN A 84 -16.241 -2.526 5.043 1.00 50.33 H new ATOM 0 HD22 ASN A 84 -15.315 -3.079 6.443 1.00 50.33 H new ATOM 1184 N GLY A 85 -11.925 -3.759 8.667 1.00 61.12 N ATOM 1185 CA GLY A 85 -10.862 -4.359 9.452 1.00 34.42 C ATOM 1186 C GLY A 85 -11.068 -5.846 9.667 1.00 60.11 C ATOM 1187 O GLY A 85 -12.201 -6.326 9.681 1.00 12.22 O ATOM 0 H GLY A 85 -12.869 -3.984 8.981 1.00 61.12 H new ATOM 0 HA2 GLY A 85 -9.908 -4.196 8.950 1.00 34.42 H new ATOM 0 HA3 GLY A 85 -10.803 -3.860 10.419 1.00 34.42 H new ATOM 1191 N SER A 86 -9.970 -6.575 9.833 1.00 32.42 N ATOM 1192 CA SER A 86 -10.035 -8.017 10.043 1.00 54.20 C ATOM 1193 C SER A 86 -9.865 -8.360 11.519 1.00 70.43 C ATOM 1194 O SER A 86 -8.823 -8.090 12.115 1.00 54.23 O ATOM 1195 CB SER A 86 -8.958 -8.723 9.216 1.00 63.42 C ATOM 1196 OG SER A 86 -8.559 -7.929 8.113 1.00 64.42 O ATOM 0 H SER A 86 -9.025 -6.192 9.826 1.00 32.42 H new ATOM 0 HA SER A 86 -11.017 -8.362 9.719 1.00 54.20 H new ATOM 0 HB2 SER A 86 -8.094 -8.937 9.845 1.00 63.42 H new ATOM 0 HB3 SER A 86 -9.338 -9.681 8.860 1.00 63.42 H new ATOM 0 HG SER A 86 -7.869 -8.402 7.602 1.00 64.42 H new ATOM 1202 N GLY A 87 -10.899 -8.957 12.105 1.00 54.22 N ATOM 1203 CA GLY A 87 -10.845 -9.326 13.508 1.00 12.14 C ATOM 1204 C GLY A 87 -12.218 -9.379 14.147 1.00 45.44 C ATOM 1205 O GLY A 87 -13.238 -9.505 13.468 1.00 51.33 O ATOM 0 H GLY A 87 -11.773 -9.192 11.633 1.00 54.22 H new ATOM 0 HA2 GLY A 87 -10.364 -10.299 13.606 1.00 12.14 H new ATOM 0 HA3 GLY A 87 -10.225 -8.609 14.046 1.00 12.14 H new ATOM 1209 N PRO A 88 -12.257 -9.282 15.484 1.00 70.51 N ATOM 1210 CA PRO A 88 -13.510 -9.318 16.244 1.00 62.23 C ATOM 1211 C PRO A 88 -14.353 -8.066 16.031 1.00 72.24 C ATOM 1212 O PRO A 88 -15.581 -8.130 16.003 1.00 5.34 O ATOM 1213 CB PRO A 88 -13.040 -9.406 17.699 1.00 5.53 C ATOM 1214 CG PRO A 88 -11.681 -8.796 17.695 1.00 4.10 C ATOM 1215 CD PRO A 88 -11.081 -9.130 16.357 1.00 12.54 C ATOM 0 HA PRO A 88 -14.149 -10.146 15.938 1.00 62.23 H new ATOM 0 HB2 PRO A 88 -13.714 -8.868 18.366 1.00 5.53 H new ATOM 0 HB3 PRO A 88 -13.009 -10.440 18.043 1.00 5.53 H new ATOM 0 HG2 PRO A 88 -11.737 -7.717 17.839 1.00 4.10 H new ATOM 0 HG3 PRO A 88 -11.072 -9.195 18.506 1.00 4.10 H new ATOM 0 HD2 PRO A 88 -10.419 -8.339 16.005 1.00 12.54 H new ATOM 0 HD3 PRO A 88 -10.490 -10.045 16.399 1.00 12.54 H new ATOM 1223 N GLY A 89 -13.685 -6.926 15.883 1.00 41.30 N ATOM 1224 CA GLY A 89 -14.389 -5.674 15.674 1.00 25.34 C ATOM 1225 C GLY A 89 -14.782 -5.006 16.977 1.00 25.33 C ATOM 1226 O GLY A 89 -15.758 -4.257 17.028 1.00 40.33 O ATOM 0 H GLY A 89 -12.668 -6.847 15.904 1.00 41.30 H new ATOM 0 HA2 GLY A 89 -13.758 -4.997 15.098 1.00 25.34 H new ATOM 0 HA3 GLY A 89 -15.284 -5.859 15.079 1.00 25.34 H new ATOM 1230 N SER A 90 -14.023 -5.279 18.032 1.00 60.34 N ATOM 1231 CA SER A 90 -14.301 -4.704 19.344 1.00 41.43 C ATOM 1232 C SER A 90 -13.200 -3.729 19.753 1.00 75.43 C ATOM 1233 O SER A 90 -12.354 -4.027 20.597 1.00 23.43 O ATOM 1234 CB SER A 90 -14.435 -5.809 20.392 1.00 61.53 C ATOM 1235 OG SER A 90 -15.795 -6.131 20.623 1.00 43.23 O ATOM 0 H SER A 90 -13.210 -5.895 18.005 1.00 60.34 H new ATOM 0 HA SER A 90 -15.242 -4.158 19.282 1.00 41.43 H new ATOM 0 HB2 SER A 90 -13.899 -6.698 20.058 1.00 61.53 H new ATOM 0 HB3 SER A 90 -13.971 -5.488 21.325 1.00 61.53 H new ATOM 0 HG SER A 90 -15.853 -6.841 21.296 1.00 43.23 H new ATOM 1241 N PRO A 91 -13.209 -2.535 19.141 1.00 35.05 N ATOM 1242 CA PRO A 91 -12.219 -1.492 19.425 1.00 22.35 C ATOM 1243 C PRO A 91 -12.394 -0.890 20.815 1.00 72.30 C ATOM 1244 O PRO A 91 -13.493 -0.897 21.370 1.00 40.13 O ATOM 1245 CB PRO A 91 -12.494 -0.441 18.348 1.00 54.24 C ATOM 1246 CG PRO A 91 -13.923 -0.640 17.979 1.00 12.20 C ATOM 1247 CD PRO A 91 -14.187 -2.112 18.124 1.00 34.51 C ATOM 0 HA PRO A 91 -11.201 -1.881 19.411 1.00 22.35 H new ATOM 0 HB2 PRO A 91 -12.319 0.567 18.725 1.00 54.24 H new ATOM 0 HB3 PRO A 91 -11.840 -0.577 17.486 1.00 54.24 H new ATOM 0 HG2 PRO A 91 -14.578 -0.060 18.629 1.00 12.20 H new ATOM 0 HG3 PRO A 91 -14.112 -0.308 16.958 1.00 12.20 H new ATOM 0 HD2 PRO A 91 -15.210 -2.307 18.445 1.00 34.51 H new ATOM 0 HD3 PRO A 91 -14.042 -2.641 17.182 1.00 34.51 H new ATOM 1255 N SER A 92 -11.304 -0.371 21.371 1.00 64.21 N ATOM 1256 CA SER A 92 -11.338 0.233 22.698 1.00 32.43 C ATOM 1257 C SER A 92 -10.321 1.365 22.805 1.00 70.53 C ATOM 1258 O SER A 92 -9.637 1.694 21.837 1.00 2.12 O ATOM 1259 CB SER A 92 -11.058 -0.823 23.769 1.00 54.32 C ATOM 1260 OG SER A 92 -10.598 -2.031 23.186 1.00 63.30 O ATOM 0 H SER A 92 -10.387 -0.357 20.924 1.00 64.21 H new ATOM 0 HA SER A 92 -12.334 0.646 22.857 1.00 32.43 H new ATOM 0 HB2 SER A 92 -10.312 -0.446 24.469 1.00 54.32 H new ATOM 0 HB3 SER A 92 -11.965 -1.014 24.342 1.00 54.32 H new ATOM 0 HG SER A 92 -10.425 -2.689 23.891 1.00 63.30 H new ATOM 1266 N ASN A 93 -10.227 1.958 23.991 1.00 35.20 N ATOM 1267 CA ASN A 93 -9.294 3.053 24.227 1.00 65.44 C ATOM 1268 C ASN A 93 -9.463 4.146 23.175 1.00 72.15 C ATOM 1269 O ASN A 93 -8.495 4.560 22.536 1.00 60.13 O ATOM 1270 CB ASN A 93 -7.854 2.537 24.215 1.00 73.51 C ATOM 1271 CG ASN A 93 -7.453 1.915 25.540 1.00 23.22 C ATOM 1272 OD1 ASN A 93 -6.369 2.179 26.059 1.00 53.53 O ATOM 1273 ND2 ASN A 93 -8.328 1.083 26.092 1.00 0.12 N ATOM 0 H ASN A 93 -10.786 1.698 24.804 1.00 35.20 H new ATOM 0 HA ASN A 93 -9.511 3.478 25.207 1.00 65.44 H new ATOM 0 HB2 ASN A 93 -7.742 1.799 23.421 1.00 73.51 H new ATOM 0 HB3 ASN A 93 -7.178 3.360 23.983 1.00 73.51 H new ATOM 0 HD21 ASN A 93 -8.113 0.634 26.982 1.00 0.12 H new ATOM 0 HD22 ASN A 93 -9.215 0.893 25.626 1.00 0.12 H new ATOM 1280 N CYS A 94 -10.696 4.608 23.003 1.00 10.41 N ATOM 1281 CA CYS A 94 -10.991 5.653 22.028 1.00 70.11 C ATOM 1282 C CYS A 94 -10.545 7.018 22.543 1.00 31.54 C ATOM 1283 O CYS A 94 -10.887 7.416 23.657 1.00 44.43 O ATOM 1284 CB CYS A 94 -12.488 5.677 21.714 1.00 11.32 C ATOM 1285 SG CYS A 94 -13.542 5.930 23.161 1.00 40.24 S ATOM 0 H CYS A 94 -11.507 4.276 23.525 1.00 10.41 H new ATOM 0 HA CYS A 94 -10.439 5.431 21.115 1.00 70.11 H new ATOM 0 HB2 CYS A 94 -12.684 6.470 20.992 1.00 11.32 H new ATOM 0 HB3 CYS A 94 -12.763 4.736 21.237 1.00 11.32 H new ATOM 0 HG CYS A 94 -12.923 6.682 24.022 1.00 40.24 H new ATOM 1291 N LYS A 95 -9.778 7.730 21.725 1.00 13.11 N ATOM 1292 CA LYS A 95 -9.283 9.051 22.096 1.00 24.32 C ATOM 1293 C LYS A 95 -9.057 9.914 20.858 1.00 74.41 C ATOM 1294 O LYS A 95 -8.305 9.540 19.958 1.00 51.03 O ATOM 1295 CB LYS A 95 -7.981 8.926 22.889 1.00 54.15 C ATOM 1296 CG LYS A 95 -6.982 7.962 22.272 1.00 31.21 C ATOM 1297 CD LYS A 95 -6.733 6.765 23.173 1.00 35.35 C ATOM 1298 CE LYS A 95 -5.583 7.022 24.136 1.00 3.41 C ATOM 1299 NZ LYS A 95 -5.891 6.538 25.510 1.00 41.41 N ATOM 0 H LYS A 95 -9.485 7.415 20.800 1.00 13.11 H new ATOM 0 HA LYS A 95 -10.036 9.532 22.720 1.00 24.32 H new ATOM 0 HB2 LYS A 95 -7.520 9.910 22.971 1.00 54.15 H new ATOM 0 HB3 LYS A 95 -8.213 8.597 23.902 1.00 54.15 H new ATOM 0 HG2 LYS A 95 -7.354 7.620 21.306 1.00 31.21 H new ATOM 0 HG3 LYS A 95 -6.041 8.481 22.086 1.00 31.21 H new ATOM 0 HD2 LYS A 95 -7.638 6.538 23.737 1.00 35.35 H new ATOM 0 HD3 LYS A 95 -6.510 5.889 22.563 1.00 35.35 H new ATOM 0 HE2 LYS A 95 -4.684 6.526 23.769 1.00 3.41 H new ATOM 0 HE3 LYS A 95 -5.367 8.090 24.167 1.00 3.41 H new ATOM 0 HZ1 LYS A 95 -5.083 6.732 26.136 1.00 41.41 H new ATOM 0 HZ2 LYS A 95 -6.734 7.030 25.871 1.00 41.41 H new ATOM 0 HZ3 LYS A 95 -6.072 5.514 25.485 1.00 41.41 H new ATOM 1313 N LEU A 96 -9.711 11.070 20.822 1.00 13.41 N ATOM 1314 CA LEU A 96 -9.580 11.988 19.695 1.00 74.24 C ATOM 1315 C LEU A 96 -9.369 13.419 20.181 1.00 32.10 C ATOM 1316 O LEU A 96 -9.755 13.770 21.295 1.00 33.45 O ATOM 1317 CB LEU A 96 -10.822 11.916 18.806 1.00 12.14 C ATOM 1318 CG LEU A 96 -12.162 12.157 19.503 1.00 15.31 C ATOM 1319 CD1 LEU A 96 -12.412 13.647 19.678 1.00 72.31 C ATOM 1320 CD2 LEU A 96 -13.294 11.511 18.719 1.00 45.13 C ATOM 0 H LEU A 96 -10.337 11.394 21.559 1.00 13.41 H new ATOM 0 HA LEU A 96 -8.708 11.689 19.113 1.00 74.24 H new ATOM 0 HB2 LEU A 96 -10.715 12.649 18.006 1.00 12.14 H new ATOM 0 HB3 LEU A 96 -10.851 10.933 18.336 1.00 12.14 H new ATOM 0 HG LEU A 96 -12.124 11.698 20.491 1.00 15.31 H new ATOM 0 HD11 LEU A 96 -13.370 13.799 20.176 1.00 72.31 H new ATOM 0 HD12 LEU A 96 -11.616 14.081 20.283 1.00 72.31 H new ATOM 0 HD13 LEU A 96 -12.430 14.130 18.701 1.00 72.31 H new ATOM 0 HD21 LEU A 96 -14.240 11.692 19.229 1.00 45.13 H new ATOM 0 HD22 LEU A 96 -13.334 11.940 17.718 1.00 45.13 H new ATOM 0 HD23 LEU A 96 -13.121 10.437 18.647 1.00 45.13 H new ATOM 1332 N ASN A 97 -8.756 14.241 19.335 1.00 4.13 N ATOM 1333 CA ASN A 97 -8.497 15.635 19.677 1.00 13.44 C ATOM 1334 C ASN A 97 -7.543 15.735 20.864 1.00 0.34 C ATOM 1335 O ASN A 97 -7.702 16.594 21.730 1.00 1.44 O ATOM 1336 CB ASN A 97 -9.807 16.354 20.000 1.00 44.44 C ATOM 1337 CG ASN A 97 -9.727 17.846 19.739 1.00 43.22 C ATOM 1338 OD1 ASN A 97 -9.661 18.285 18.591 1.00 32.14 O ATOM 1339 ND2 ASN A 97 -9.731 18.634 20.808 1.00 45.14 N ATOM 0 H ASN A 97 -8.430 13.966 18.409 1.00 4.13 H new ATOM 0 HA ASN A 97 -8.030 16.114 18.816 1.00 13.44 H new ATOM 0 HB2 ASN A 97 -10.611 15.926 19.401 1.00 44.44 H new ATOM 0 HB3 ASN A 97 -10.063 16.184 21.046 1.00 44.44 H new ATOM 0 HD21 ASN A 97 -9.678 19.646 20.696 1.00 45.14 H new ATOM 0 HD22 ASN A 97 -9.787 18.227 21.742 1.00 45.14 H new ATOM 1346 N GLY A 98 -6.551 14.850 20.895 1.00 12.42 N ATOM 1347 CA GLY A 98 -5.586 14.856 21.978 1.00 73.14 C ATOM 1348 C GLY A 98 -6.133 14.230 23.246 1.00 23.24 C ATOM 1349 O GLY A 98 -5.743 14.605 24.351 1.00 64.11 O ATOM 0 H GLY A 98 -6.399 14.129 20.189 1.00 12.42 H new ATOM 0 HA2 GLY A 98 -4.692 14.316 21.667 1.00 73.14 H new ATOM 0 HA3 GLY A 98 -5.283 15.882 22.185 1.00 73.14 H new ATOM 1353 N GLY A 99 -7.041 13.271 23.087 1.00 1.40 N ATOM 1354 CA GLY A 99 -7.630 12.608 24.235 1.00 73.14 C ATOM 1355 C GLY A 99 -8.927 13.256 24.677 1.00 34.10 C ATOM 1356 O GLY A 99 -8.964 13.968 25.681 1.00 34.33 O ATOM 0 H GLY A 99 -7.379 12.942 22.183 1.00 1.40 H new ATOM 0 HA2 GLY A 99 -7.815 11.562 23.991 1.00 73.14 H new ATOM 0 HA3 GLY A 99 -6.920 12.622 25.062 1.00 73.14 H new ATOM 1360 N SER A 100 -9.995 13.010 23.924 1.00 41.35 N ATOM 1361 CA SER A 100 -11.299 13.579 24.241 1.00 24.35 C ATOM 1362 C SER A 100 -12.420 12.736 23.639 1.00 34.15 C ATOM 1363 O SER A 100 -12.671 12.785 22.434 1.00 43.35 O ATOM 1364 CB SER A 100 -11.392 15.015 23.722 1.00 63.52 C ATOM 1365 OG SER A 100 -12.715 15.327 23.319 1.00 10.45 O ATOM 0 H SER A 100 -9.982 12.421 23.091 1.00 41.35 H new ATOM 0 HA SER A 100 -11.412 13.583 25.325 1.00 24.35 H new ATOM 0 HB2 SER A 100 -11.073 15.708 24.501 1.00 63.52 H new ATOM 0 HB3 SER A 100 -10.712 15.146 22.880 1.00 63.52 H new ATOM 0 HG SER A 100 -12.748 16.250 22.993 1.00 10.45 H new ATOM 1371 N CYS A 101 -13.091 11.963 24.486 1.00 14.55 N ATOM 1372 CA CYS A 101 -14.184 11.106 24.039 1.00 41.44 C ATOM 1373 C CYS A 101 -15.074 10.704 25.211 1.00 54.53 C ATOM 1374 O CYS A 101 -14.907 11.198 26.327 1.00 72.21 O ATOM 1375 CB CYS A 101 -13.633 9.858 23.349 1.00 32.22 C ATOM 1376 SG CYS A 101 -14.130 9.690 21.619 1.00 42.01 S ATOM 0 H CYS A 101 -12.897 11.912 25.486 1.00 14.55 H new ATOM 0 HA CYS A 101 -14.786 11.669 23.326 1.00 41.44 H new ATOM 0 HB2 CYS A 101 -12.544 9.877 23.403 1.00 32.22 H new ATOM 0 HB3 CYS A 101 -13.964 8.976 23.898 1.00 32.22 H new ATOM 0 HG CYS A 101 -13.613 8.606 21.122 1.00 42.01 H new