USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1101 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 26 THR OG1 : rot -77:sc= 0.21 USER MOD Set 1.2: A 29 GLN : amide:sc= 0.41 K(o=0.62,f=-1.8!) USER MOD Single : A 5 LYS NZ :NH3+ -141:sc= 1.07 (180deg=-0.26) USER MOD Single : A 7 LYS NZ :NH3+ -117:sc= -0.725 (180deg=-2.76!) USER MOD Single : A 14 GLN : amide:sc= -2.61! K(o=-2.6!,f=-0.66) USER MOD Single : A 20 ASN : amide:sc= 0.243 K(o=0.24,f=-0.53) USER MOD Single : A 22 THR OG1 : rot -31:sc= 0.838 USER MOD Single : A 27 GLN : amide:sc= -0.763 K(o=-0.76,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= 0.858 (180deg=-0.794) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -75:sc= -0.28 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -129:sc= 0.0736 (180deg=-0.0872) USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 0.508 (180deg=-0.759) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= 0.774 (180deg=0.103) USER MOD Single : A 57 THR OG1 : rot 171:sc= -1.32 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -0.0676 (180deg=-0.457) USER MOD Single : B 3 MET CE :methyl 158:sc= 0 (180deg=-0.0989) USER MOD Single : B 5 LYS NZ :NH3+ -167:sc= 0.713 (180deg=0.401) USER MOD Single : B 7 LYS NZ :NH3+ -144:sc= -1.55 (180deg=-5.04!) USER MOD Single : B 14 GLN : amide:sc= -4.04! K(o=-4!,f=-0.47) USER MOD Single : B 20 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 22 THR OG1 : rot -19:sc= 0.301 USER MOD Single : B 26 THR OG1 : rot 114:sc= 0.0572 USER MOD Single : B 27 GLN : amide:sc= -0.508 K(o=-0.51,f=-1.8) USER MOD Single : B 28 LYS NZ :NH3+ -139:sc= -1.16 (180deg=-3.42!) USER MOD Single : B 29 GLN : amide:sc= -0.153 K(o=-0.15,f=-3.4!) USER MOD Single : B 31 LYS NZ :NH3+ -137:sc= 0.0427 (180deg=-2.89!) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot -73:sc= 0.0902 USER MOD Single : B 35 LYS NZ :NH3+ 171:sc= -0.0118 (180deg=-0.111) USER MOD Single : B 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0363) USER MOD Single : B 40 LYS NZ :NH3+ -127:sc= 0.387 (180deg=0.127) USER MOD Single : B 54 LYS NZ :NH3+ -138:sc= 0.154 (180deg=0) USER MOD Single : B 57 THR OG1 : rot -100:sc= -0.039 USER MOD Single : B 58 SER OG : rot -28:sc= 0.564 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 4 5.126 11.299 1.467 1.00 64.31 N ATOM 60 CA LEU A 4 4.298 10.086 1.732 1.00 53.53 C ATOM 61 C LEU A 4 5.175 8.866 2.148 1.00 42.43 C ATOM 62 O LEU A 4 4.746 8.009 2.919 1.00 61.23 O ATOM 63 CB LEU A 4 3.451 9.742 0.471 1.00 12.23 C ATOM 64 CG LEU A 4 2.388 8.602 0.627 1.00 12.43 C ATOM 65 CD1 LEU A 4 1.266 9.002 1.610 1.00 33.20 C ATOM 66 CD2 LEU A 4 1.804 8.179 -0.744 1.00 12.50 C ATOM 0 HA LEU A 4 3.633 10.307 2.567 1.00 53.53 H new ATOM 0 HB2 LEU A 4 2.935 10.647 0.151 1.00 12.23 H new ATOM 0 HB3 LEU A 4 4.134 9.463 -0.332 1.00 12.23 H new ATOM 0 HG LEU A 4 2.902 7.738 1.048 1.00 12.43 H new ATOM 0 HD11 LEU A 4 0.547 8.187 1.693 1.00 33.20 H new ATOM 0 HD12 LEU A 4 1.697 9.207 2.590 1.00 33.20 H new ATOM 0 HD13 LEU A 4 0.761 9.895 1.242 1.00 33.20 H new ATOM 0 HD21 LEU A 4 1.070 7.386 -0.598 1.00 12.50 H new ATOM 0 HD22 LEU A 4 1.323 9.036 -1.215 1.00 12.50 H new ATOM 0 HD23 LEU A 4 2.607 7.816 -1.385 1.00 12.50 H new ATOM 78 N LYS A 5 6.413 8.834 1.634 1.00 45.33 N ATOM 79 CA LYS A 5 7.419 7.802 1.959 1.00 41.22 C ATOM 80 C LYS A 5 7.871 7.867 3.445 1.00 51.31 C ATOM 81 O LYS A 5 8.049 6.829 4.093 1.00 25.10 O ATOM 82 CB LYS A 5 8.641 7.987 1.020 1.00 11.31 C ATOM 83 CG LYS A 5 9.769 6.964 1.242 1.00 21.51 C ATOM 84 CD LYS A 5 10.968 7.122 0.287 1.00 65.43 C ATOM 85 CE LYS A 5 10.618 6.786 -1.171 1.00 74.54 C ATOM 86 NZ LYS A 5 11.817 6.829 -2.026 1.00 34.11 N ATOM 0 H LYS A 5 6.752 9.532 0.972 1.00 45.33 H new ATOM 0 HA LYS A 5 6.966 6.822 1.810 1.00 41.22 H new ATOM 0 HB2 LYS A 5 8.303 7.920 -0.014 1.00 11.31 H new ATOM 0 HB3 LYS A 5 9.043 8.990 1.159 1.00 11.31 H new ATOM 0 HG2 LYS A 5 10.124 7.050 2.269 1.00 21.51 H new ATOM 0 HG3 LYS A 5 9.360 5.960 1.129 1.00 21.51 H new ATOM 0 HD2 LYS A 5 11.336 8.147 0.340 1.00 65.43 H new ATOM 0 HD3 LYS A 5 11.779 6.474 0.619 1.00 65.43 H new ATOM 0 HE2 LYS A 5 10.167 5.795 -1.221 1.00 74.54 H new ATOM 0 HE3 LYS A 5 9.876 7.493 -1.543 1.00 74.54 H new ATOM 0 HZ1 LYS A 5 11.573 7.250 -2.945 1.00 34.11 H new ATOM 0 HZ2 LYS A 5 12.551 7.404 -1.566 1.00 34.11 H new ATOM 0 HZ3 LYS A 5 12.174 5.863 -2.172 1.00 34.11 H new ATOM 100 N GLU A 6 8.052 9.103 3.961 1.00 21.12 N ATOM 101 CA GLU A 6 8.547 9.351 5.339 1.00 64.33 C ATOM 102 C GLU A 6 7.609 8.738 6.401 1.00 42.24 C ATOM 103 O GLU A 6 8.054 8.003 7.289 1.00 33.24 O ATOM 104 CB GLU A 6 8.694 10.874 5.594 1.00 40.45 C ATOM 105 CG GLU A 6 9.680 11.598 4.657 1.00 34.04 C ATOM 106 CD GLU A 6 11.140 11.130 4.820 1.00 11.54 C ATOM 107 OE1 GLU A 6 11.810 11.583 5.776 1.00 50.34 O ATOM 108 OE2 GLU A 6 11.620 10.322 3.994 1.00 51.42 O ATOM 0 H GLU A 6 7.860 9.957 3.437 1.00 21.12 H new ATOM 0 HA GLU A 6 9.521 8.870 5.426 1.00 64.33 H new ATOM 0 HB2 GLU A 6 7.714 11.340 5.496 1.00 40.45 H new ATOM 0 HB3 GLU A 6 9.017 11.025 6.624 1.00 40.45 H new ATOM 0 HG2 GLU A 6 9.370 11.440 3.624 1.00 34.04 H new ATOM 0 HG3 GLU A 6 9.627 12.670 4.846 1.00 34.04 H new ATOM 115 N LYS A 7 6.308 9.063 6.292 1.00 4.44 N ATOM 116 CA LYS A 7 5.271 8.528 7.199 1.00 15.21 C ATOM 117 C LYS A 7 5.094 7.002 7.013 1.00 62.45 C ATOM 118 O LYS A 7 4.983 6.277 7.989 1.00 11.00 O ATOM 119 CB LYS A 7 3.918 9.253 6.984 1.00 3.54 C ATOM 120 CG LYS A 7 3.300 9.035 5.586 1.00 55.30 C ATOM 121 CD LYS A 7 1.864 9.553 5.424 1.00 3.23 C ATOM 122 CE LYS A 7 0.827 8.875 6.352 1.00 44.24 C ATOM 123 NZ LYS A 7 0.827 9.419 7.737 1.00 15.11 N ATOM 0 H LYS A 7 5.946 9.698 5.580 1.00 4.44 H new ATOM 0 HA LYS A 7 5.605 8.711 8.220 1.00 15.21 H new ATOM 0 HB2 LYS A 7 3.211 8.910 7.739 1.00 3.54 H new ATOM 0 HB3 LYS A 7 4.062 10.322 7.143 1.00 3.54 H new ATOM 0 HG2 LYS A 7 3.933 9.524 4.845 1.00 55.30 H new ATOM 0 HG3 LYS A 7 3.313 7.968 5.362 1.00 55.30 H new ATOM 0 HD2 LYS A 7 1.855 10.626 5.614 1.00 3.23 H new ATOM 0 HD3 LYS A 7 1.554 9.410 4.389 1.00 3.23 H new ATOM 0 HE2 LYS A 7 -0.167 8.996 5.922 1.00 44.24 H new ATOM 0 HE3 LYS A 7 1.030 7.805 6.390 1.00 44.24 H new ATOM 0 HZ1 LYS A 7 1.099 8.669 8.404 1.00 15.11 H new ATOM 0 HZ2 LYS A 7 1.507 10.203 7.802 1.00 15.11 H new ATOM 0 HZ3 LYS A 7 -0.125 9.765 7.974 1.00 15.11 H new ATOM 137 N ALA A 8 5.084 6.534 5.741 1.00 61.52 N ATOM 138 CA ALA A 8 4.847 5.110 5.393 1.00 3.02 C ATOM 139 C ALA A 8 5.962 4.197 5.957 1.00 31.01 C ATOM 140 O ALA A 8 5.719 3.043 6.318 1.00 4.45 O ATOM 141 CB ALA A 8 4.740 4.947 3.868 1.00 64.12 C ATOM 0 H ALA A 8 5.240 7.131 4.929 1.00 61.52 H new ATOM 0 HA ALA A 8 3.906 4.805 5.850 1.00 3.02 H new ATOM 0 HB1 ALA A 8 4.566 3.899 3.625 1.00 64.12 H new ATOM 0 HB2 ALA A 8 3.911 5.548 3.495 1.00 64.12 H new ATOM 0 HB3 ALA A 8 5.667 5.279 3.401 1.00 64.12 H new ATOM 147 N GLY A 9 7.182 4.761 6.018 1.00 53.21 N ATOM 148 CA GLY A 9 8.356 4.078 6.596 1.00 42.53 C ATOM 149 C GLY A 9 8.321 3.998 8.130 1.00 22.54 C ATOM 150 O GLY A 9 8.824 3.038 8.731 1.00 65.53 O ATOM 0 H GLY A 9 7.382 5.699 5.670 1.00 53.21 H new ATOM 0 HA2 GLY A 9 8.417 3.069 6.188 1.00 42.53 H new ATOM 0 HA3 GLY A 9 9.261 4.602 6.287 1.00 42.53 H new ATOM 154 N ALA A 10 7.737 5.033 8.760 1.00 72.31 N ATOM 155 CA ALA A 10 7.536 5.085 10.226 1.00 45.43 C ATOM 156 C ALA A 10 6.393 4.129 10.669 1.00 72.22 C ATOM 157 O ALA A 10 6.490 3.460 11.704 1.00 22.40 O ATOM 158 CB ALA A 10 7.243 6.529 10.653 1.00 31.12 C ATOM 0 H ALA A 10 7.390 5.858 8.271 1.00 72.31 H new ATOM 0 HA ALA A 10 8.448 4.749 10.719 1.00 45.43 H new ATOM 0 HB1 ALA A 10 7.095 6.566 11.732 1.00 31.12 H new ATOM 0 HB2 ALA A 10 8.083 7.167 10.380 1.00 31.12 H new ATOM 0 HB3 ALA A 10 6.342 6.881 10.151 1.00 31.12 H new ATOM 164 N LEU A 11 5.313 4.074 9.856 1.00 54.32 N ATOM 165 CA LEU A 11 4.189 3.124 10.041 1.00 72.32 C ATOM 166 C LEU A 11 4.673 1.678 9.834 1.00 54.32 C ATOM 167 O LEU A 11 4.222 0.764 10.519 1.00 51.04 O ATOM 168 CB LEU A 11 3.030 3.450 9.053 1.00 14.22 C ATOM 169 CG LEU A 11 2.403 4.877 9.174 1.00 61.12 C ATOM 170 CD1 LEU A 11 1.317 5.111 8.109 1.00 43.50 C ATOM 171 CD2 LEU A 11 1.862 5.134 10.593 1.00 12.24 C ATOM 0 H LEU A 11 5.195 4.689 9.051 1.00 54.32 H new ATOM 0 HA LEU A 11 3.815 3.226 11.060 1.00 72.32 H new ATOM 0 HB2 LEU A 11 3.401 3.323 8.036 1.00 14.22 H new ATOM 0 HB3 LEU A 11 2.239 2.714 9.198 1.00 14.22 H new ATOM 0 HG LEU A 11 3.199 5.598 8.990 1.00 61.12 H new ATOM 0 HD11 LEU A 11 0.904 6.113 8.224 1.00 43.50 H new ATOM 0 HD12 LEU A 11 1.754 5.011 7.116 1.00 43.50 H new ATOM 0 HD13 LEU A 11 0.522 4.375 8.232 1.00 43.50 H new ATOM 0 HD21 LEU A 11 1.433 6.135 10.643 1.00 12.24 H new ATOM 0 HD22 LEU A 11 1.094 4.398 10.828 1.00 12.24 H new ATOM 0 HD23 LEU A 11 2.676 5.052 11.313 1.00 12.24 H new ATOM 183 N ALA A 12 5.604 1.504 8.877 1.00 74.10 N ATOM 184 CA ALA A 12 6.283 0.216 8.617 1.00 43.31 C ATOM 185 C ALA A 12 7.020 -0.311 9.869 1.00 34.25 C ATOM 186 O ALA A 12 6.915 -1.492 10.211 1.00 44.02 O ATOM 187 CB ALA A 12 7.266 0.366 7.452 1.00 4.25 C ATOM 0 H ALA A 12 5.909 2.255 8.258 1.00 74.10 H new ATOM 0 HA ALA A 12 5.517 -0.513 8.355 1.00 43.31 H new ATOM 0 HB1 ALA A 12 7.761 -0.588 7.268 1.00 4.25 H new ATOM 0 HB2 ALA A 12 6.725 0.672 6.557 1.00 4.25 H new ATOM 0 HB3 ALA A 12 8.013 1.120 7.701 1.00 4.25 H new ATOM 193 N GLY A 13 7.752 0.599 10.544 1.00 12.22 N ATOM 194 CA GLY A 13 8.456 0.280 11.796 1.00 2.23 C ATOM 195 C GLY A 13 7.520 -0.184 12.927 1.00 1.33 C ATOM 196 O GLY A 13 7.838 -1.121 13.657 1.00 53.01 O ATOM 0 H GLY A 13 7.869 1.565 10.238 1.00 12.22 H new ATOM 0 HA2 GLY A 13 9.192 -0.500 11.601 1.00 2.23 H new ATOM 0 HA3 GLY A 13 9.006 1.160 12.129 1.00 2.23 H new ATOM 200 N GLN A 14 6.350 0.476 13.041 1.00 13.32 N ATOM 201 CA GLN A 14 5.320 0.160 14.066 1.00 65.45 C ATOM 202 C GLN A 14 4.632 -1.209 13.796 1.00 55.12 C ATOM 203 O GLN A 14 4.460 -2.023 14.711 1.00 43.51 O ATOM 204 CB GLN A 14 4.260 1.295 14.093 1.00 2.12 C ATOM 205 CG GLN A 14 4.820 2.679 14.471 1.00 60.14 C ATOM 206 CD GLN A 14 3.771 3.791 14.422 1.00 74.12 C ATOM 207 OE1 GLN A 14 3.068 4.046 15.390 1.00 1.13 O ATOM 208 NE2 GLN A 14 3.666 4.463 13.297 1.00 70.22 N ATOM 0 H GLN A 14 6.087 1.246 12.426 1.00 13.32 H new ATOM 0 HA GLN A 14 5.815 0.088 15.034 1.00 65.45 H new ATOM 0 HB2 GLN A 14 3.792 1.362 13.111 1.00 2.12 H new ATOM 0 HB3 GLN A 14 3.477 1.027 14.802 1.00 2.12 H new ATOM 0 HG2 GLN A 14 5.241 2.631 15.475 1.00 60.14 H new ATOM 0 HG3 GLN A 14 5.637 2.930 13.794 1.00 60.14 H new ATOM 0 HE21 GLN A 14 4.265 4.229 12.505 1.00 70.22 H new ATOM 0 HE22 GLN A 14 2.985 5.218 13.216 1.00 70.22 H new ATOM 217 N ILE A 15 4.244 -1.433 12.529 1.00 24.41 N ATOM 218 CA ILE A 15 3.542 -2.666 12.080 1.00 42.31 C ATOM 219 C ILE A 15 4.465 -3.907 12.152 1.00 32.10 C ATOM 220 O ILE A 15 4.022 -5.002 12.527 1.00 2.53 O ATOM 221 CB ILE A 15 2.950 -2.456 10.625 1.00 31.15 C ATOM 222 CG1 ILE A 15 1.840 -1.352 10.663 1.00 51.44 C ATOM 223 CG2 ILE A 15 2.405 -3.771 9.999 1.00 52.41 C ATOM 224 CD1 ILE A 15 1.201 -1.030 9.324 1.00 42.42 C ATOM 0 H ILE A 15 4.406 -0.764 11.776 1.00 24.41 H new ATOM 0 HA ILE A 15 2.712 -2.857 12.761 1.00 42.31 H new ATOM 0 HB ILE A 15 3.767 -2.130 9.982 1.00 31.15 H new ATOM 0 HG12 ILE A 15 1.058 -1.669 11.353 1.00 51.44 H new ATOM 0 HG13 ILE A 15 2.273 -0.438 11.070 1.00 51.44 H new ATOM 0 HG21 ILE A 15 2.013 -3.565 9.003 1.00 52.41 H new ATOM 0 HG22 ILE A 15 3.211 -4.501 9.927 1.00 52.41 H new ATOM 0 HG23 ILE A 15 1.609 -4.170 10.627 1.00 52.41 H new ATOM 0 HD11 ILE A 15 0.447 -0.255 9.458 1.00 42.42 H new ATOM 0 HD12 ILE A 15 1.965 -0.677 8.632 1.00 42.42 H new ATOM 0 HD13 ILE A 15 0.732 -1.927 8.920 1.00 42.42 H new ATOM 236 N TRP A 16 5.748 -3.716 11.801 1.00 63.05 N ATOM 237 CA TRP A 16 6.781 -4.762 11.945 1.00 24.11 C ATOM 238 C TRP A 16 7.000 -5.121 13.437 1.00 53.10 C ATOM 239 O TRP A 16 7.068 -6.295 13.785 1.00 74.23 O ATOM 240 CB TRP A 16 8.118 -4.322 11.286 1.00 53.33 C ATOM 241 CG TRP A 16 9.140 -5.433 11.240 1.00 75.15 C ATOM 242 CD1 TRP A 16 9.240 -6.411 10.295 1.00 23.05 C ATOM 243 CD2 TRP A 16 10.172 -5.702 12.200 1.00 40.51 C ATOM 244 NE1 TRP A 16 10.270 -7.264 10.604 1.00 44.53 N ATOM 245 CE2 TRP A 16 10.853 -6.853 11.770 1.00 44.41 C ATOM 246 CE3 TRP A 16 10.580 -5.076 13.379 1.00 50.24 C ATOM 247 CZ2 TRP A 16 11.922 -7.394 12.479 1.00 1.14 C ATOM 248 CZ3 TRP A 16 11.635 -5.611 14.085 1.00 23.13 C ATOM 249 CH2 TRP A 16 12.296 -6.765 13.637 1.00 72.15 C ATOM 0 H TRP A 16 6.099 -2.841 11.412 1.00 63.05 H new ATOM 0 HA TRP A 16 6.426 -5.653 11.428 1.00 24.11 H new ATOM 0 HB2 TRP A 16 7.921 -3.973 10.272 1.00 53.33 H new ATOM 0 HB3 TRP A 16 8.530 -3.478 11.839 1.00 53.33 H new ATOM 0 HD1 TRP A 16 8.601 -6.501 9.429 1.00 23.05 H new ATOM 0 HE1 TRP A 16 10.554 -8.074 10.053 1.00 44.53 H new ATOM 0 HE3 TRP A 16 10.077 -4.188 13.732 1.00 50.24 H new ATOM 0 HZ2 TRP A 16 12.437 -8.276 12.129 1.00 1.14 H new ATOM 0 HZ3 TRP A 16 11.959 -5.134 14.998 1.00 23.13 H new ATOM 0 HH2 TRP A 16 13.115 -7.165 14.216 1.00 72.15 H new ATOM 260 N GLU A 17 7.118 -4.093 14.302 1.00 2.20 N ATOM 261 CA GLU A 17 7.258 -4.283 15.772 1.00 63.42 C ATOM 262 C GLU A 17 6.016 -4.959 16.407 1.00 33.14 C ATOM 263 O GLU A 17 6.127 -5.598 17.459 1.00 73.44 O ATOM 264 CB GLU A 17 7.563 -2.927 16.469 1.00 25.10 C ATOM 265 CG GLU A 17 9.026 -2.434 16.338 1.00 64.53 C ATOM 266 CD GLU A 17 10.020 -3.212 17.227 1.00 25.22 C ATOM 267 OE1 GLU A 17 10.498 -4.286 16.817 1.00 62.42 O ATOM 268 OE2 GLU A 17 10.323 -2.748 18.347 1.00 74.13 O ATOM 0 H GLU A 17 7.120 -3.115 14.012 1.00 2.20 H new ATOM 0 HA GLU A 17 8.098 -4.960 15.927 1.00 63.42 H new ATOM 0 HB2 GLU A 17 6.901 -2.166 16.054 1.00 25.10 H new ATOM 0 HB3 GLU A 17 7.320 -3.018 17.528 1.00 25.10 H new ATOM 0 HG2 GLU A 17 9.338 -2.519 15.297 1.00 64.53 H new ATOM 0 HG3 GLU A 17 9.069 -1.376 16.598 1.00 64.53 H new ATOM 275 N ALA A 18 4.836 -4.796 15.773 1.00 54.54 N ATOM 276 CA ALA A 18 3.613 -5.536 16.158 1.00 14.12 C ATOM 277 C ALA A 18 3.781 -7.050 15.876 1.00 24.43 C ATOM 278 O ALA A 18 3.445 -7.897 16.713 1.00 24.25 O ATOM 279 CB ALA A 18 2.395 -4.968 15.414 1.00 34.24 C ATOM 0 H ALA A 18 4.703 -4.157 14.990 1.00 54.54 H new ATOM 0 HA ALA A 18 3.449 -5.412 17.228 1.00 14.12 H new ATOM 0 HB1 ALA A 18 1.501 -5.520 15.705 1.00 34.24 H new ATOM 0 HB2 ALA A 18 2.271 -3.916 15.669 1.00 34.24 H new ATOM 0 HB3 ALA A 18 2.548 -5.065 14.339 1.00 34.24 H new ATOM 285 N LEU A 19 4.339 -7.359 14.692 1.00 43.13 N ATOM 286 CA LEU A 19 4.640 -8.740 14.249 1.00 44.01 C ATOM 287 C LEU A 19 5.896 -9.325 14.957 1.00 15.02 C ATOM 288 O LEU A 19 6.062 -10.549 15.022 1.00 44.24 O ATOM 289 CB LEU A 19 4.853 -8.738 12.715 1.00 30.22 C ATOM 290 CG LEU A 19 3.591 -8.449 11.845 1.00 20.44 C ATOM 291 CD1 LEU A 19 3.974 -8.107 10.389 1.00 33.35 C ATOM 292 CD2 LEU A 19 2.607 -9.641 11.894 1.00 41.12 C ATOM 0 H LEU A 19 4.598 -6.651 14.005 1.00 43.13 H new ATOM 0 HA LEU A 19 3.796 -9.375 14.518 1.00 44.01 H new ATOM 0 HB2 LEU A 19 5.612 -7.993 12.475 1.00 30.22 H new ATOM 0 HB3 LEU A 19 5.255 -9.708 12.424 1.00 30.22 H new ATOM 0 HG LEU A 19 3.091 -7.576 12.265 1.00 20.44 H new ATOM 0 HD11 LEU A 19 3.071 -7.911 9.811 1.00 33.35 H new ATOM 0 HD12 LEU A 19 4.610 -7.222 10.378 1.00 33.35 H new ATOM 0 HD13 LEU A 19 4.512 -8.946 9.948 1.00 33.35 H new ATOM 0 HD21 LEU A 19 1.734 -9.418 11.280 1.00 41.12 H new ATOM 0 HD22 LEU A 19 3.100 -10.535 11.513 1.00 41.12 H new ATOM 0 HD23 LEU A 19 2.293 -9.811 12.924 1.00 41.12 H new ATOM 304 N ASN A 20 6.777 -8.448 15.475 1.00 4.25 N ATOM 305 CA ASN A 20 8.030 -8.858 16.138 1.00 60.44 C ATOM 306 C ASN A 20 7.720 -9.377 17.558 1.00 53.03 C ATOM 307 O ASN A 20 7.076 -8.683 18.352 1.00 25.42 O ATOM 308 CB ASN A 20 9.032 -7.677 16.190 1.00 22.25 C ATOM 309 CG ASN A 20 10.424 -8.076 16.698 1.00 40.14 C ATOM 310 OD1 ASN A 20 10.895 -9.188 16.464 1.00 51.32 O ATOM 311 ND2 ASN A 20 11.087 -7.183 17.402 1.00 53.00 N ATOM 0 H ASN A 20 6.641 -7.438 15.446 1.00 4.25 H new ATOM 0 HA ASN A 20 8.490 -9.661 15.562 1.00 60.44 H new ATOM 0 HB2 ASN A 20 9.127 -7.248 15.193 1.00 22.25 H new ATOM 0 HB3 ASN A 20 8.628 -6.897 16.835 1.00 22.25 H new ATOM 0 HD21 ASN A 20 12.013 -7.406 17.767 1.00 53.00 H new ATOM 0 HD22 ASN A 20 10.675 -6.268 17.583 1.00 53.00 H new ATOM 318 N GLY A 21 8.193 -10.595 17.860 1.00 11.42 N ATOM 319 CA GLY A 21 7.813 -11.307 19.091 1.00 51.34 C ATOM 320 C GLY A 21 6.647 -12.287 18.881 1.00 15.12 C ATOM 321 O GLY A 21 6.264 -13.001 19.808 1.00 0.51 O ATOM 0 H GLY A 21 8.843 -11.110 17.266 1.00 11.42 H new ATOM 0 HA2 GLY A 21 8.677 -11.854 19.469 1.00 51.34 H new ATOM 0 HA3 GLY A 21 7.537 -10.580 19.854 1.00 51.34 H new ATOM 325 N THR A 22 6.076 -12.309 17.652 1.00 42.30 N ATOM 326 CA THR A 22 5.016 -13.277 17.243 1.00 71.32 C ATOM 327 C THR A 22 5.429 -14.007 15.938 1.00 2.45 C ATOM 328 O THR A 22 6.401 -13.616 15.277 1.00 44.21 O ATOM 329 CB THR A 22 3.611 -12.589 17.016 1.00 71.34 C ATOM 330 OG1 THR A 22 3.617 -11.793 15.820 1.00 44.43 O ATOM 331 CG2 THR A 22 3.181 -11.703 18.206 1.00 15.53 C ATOM 0 H THR A 22 6.335 -11.657 16.912 1.00 42.30 H new ATOM 0 HA THR A 22 4.915 -13.986 18.065 1.00 71.32 H new ATOM 0 HB THR A 22 2.890 -13.401 16.920 1.00 71.34 H new ATOM 0 HG1 THR A 22 4.516 -11.431 15.673 1.00 44.43 H new ATOM 0 HG21 THR A 22 2.209 -11.256 17.995 1.00 15.53 H new ATOM 0 HG22 THR A 22 3.112 -12.312 19.107 1.00 15.53 H new ATOM 0 HG23 THR A 22 3.918 -10.914 18.357 1.00 15.53 H new ATOM 339 N GLU A 23 4.687 -15.072 15.578 1.00 1.04 N ATOM 340 CA GLU A 23 4.904 -15.823 14.313 1.00 64.02 C ATOM 341 C GLU A 23 3.883 -15.420 13.223 1.00 45.11 C ATOM 342 O GLU A 23 3.841 -16.043 12.154 1.00 3.34 O ATOM 343 CB GLU A 23 4.832 -17.354 14.565 1.00 73.22 C ATOM 344 CG GLU A 23 5.952 -17.913 15.463 1.00 42.45 C ATOM 345 CD GLU A 23 5.924 -19.448 15.550 1.00 1.54 C ATOM 346 OE1 GLU A 23 6.485 -20.114 14.650 1.00 14.52 O ATOM 347 OE2 GLU A 23 5.334 -19.997 16.507 1.00 53.32 O ATOM 0 H GLU A 23 3.924 -15.439 16.147 1.00 1.04 H new ATOM 0 HA GLU A 23 5.900 -15.566 13.953 1.00 64.02 H new ATOM 0 HB2 GLU A 23 3.870 -17.589 15.020 1.00 73.22 H new ATOM 0 HB3 GLU A 23 4.865 -17.868 13.605 1.00 73.22 H new ATOM 0 HG2 GLU A 23 6.919 -17.592 15.076 1.00 42.45 H new ATOM 0 HG3 GLU A 23 5.854 -17.493 16.464 1.00 42.45 H new ATOM 354 N GLY A 24 3.077 -14.371 13.493 1.00 0.13 N ATOM 355 CA GLY A 24 2.063 -13.898 12.539 1.00 12.41 C ATOM 356 C GLY A 24 0.810 -13.315 13.203 1.00 62.30 C ATOM 357 O GLY A 24 0.274 -13.899 14.150 1.00 30.43 O ATOM 0 H GLY A 24 3.112 -13.840 14.363 1.00 0.13 H new ATOM 0 HA2 GLY A 24 2.509 -13.138 11.897 1.00 12.41 H new ATOM 0 HA3 GLY A 24 1.769 -14.727 11.895 1.00 12.41 H new ATOM 361 N LEU A 25 0.332 -12.164 12.677 1.00 41.35 N ATOM 362 CA LEU A 25 -0.902 -11.476 13.135 1.00 0.34 C ATOM 363 C LEU A 25 -1.788 -11.095 11.919 1.00 13.20 C ATOM 364 O LEU A 25 -1.313 -11.037 10.783 1.00 24.42 O ATOM 365 CB LEU A 25 -0.552 -10.186 13.939 1.00 21.02 C ATOM 366 CG LEU A 25 0.271 -10.360 15.259 1.00 60.02 C ATOM 367 CD1 LEU A 25 0.497 -8.997 15.948 1.00 51.21 C ATOM 368 CD2 LEU A 25 -0.397 -11.362 16.225 1.00 42.43 C ATOM 0 H LEU A 25 0.798 -11.678 11.911 1.00 41.35 H new ATOM 0 HA LEU A 25 -1.447 -12.162 13.784 1.00 0.34 H new ATOM 0 HB2 LEU A 25 0.005 -9.520 13.280 1.00 21.02 H new ATOM 0 HB3 LEU A 25 -1.485 -9.681 14.188 1.00 21.02 H new ATOM 0 HG LEU A 25 1.242 -10.773 14.986 1.00 60.02 H new ATOM 0 HD11 LEU A 25 1.071 -9.143 16.863 1.00 51.21 H new ATOM 0 HD12 LEU A 25 1.046 -8.336 15.277 1.00 51.21 H new ATOM 0 HD13 LEU A 25 -0.466 -8.548 16.191 1.00 51.21 H new ATOM 0 HD21 LEU A 25 0.206 -11.454 17.128 1.00 42.43 H new ATOM 0 HD22 LEU A 25 -1.393 -11.005 16.488 1.00 42.43 H new ATOM 0 HD23 LEU A 25 -0.477 -12.336 15.742 1.00 42.43 H new ATOM 380 N THR A 26 -3.079 -10.851 12.174 1.00 13.32 N ATOM 381 CA THR A 26 -4.021 -10.299 11.165 1.00 4.21 C ATOM 382 C THR A 26 -4.013 -8.751 11.181 1.00 45.30 C ATOM 383 O THR A 26 -3.258 -8.133 11.953 1.00 11.14 O ATOM 384 CB THR A 26 -5.476 -10.805 11.433 1.00 72.11 C ATOM 385 OG1 THR A 26 -5.946 -10.308 12.703 1.00 30.55 O ATOM 386 CG2 THR A 26 -5.558 -12.347 11.407 1.00 43.44 C ATOM 0 H THR A 26 -3.510 -11.027 13.082 1.00 13.32 H new ATOM 0 HA THR A 26 -3.689 -10.646 10.186 1.00 4.21 H new ATOM 0 HB THR A 26 -6.112 -10.424 10.634 1.00 72.11 H new ATOM 0 HG1 THR A 26 -5.548 -10.834 13.428 1.00 30.55 H new ATOM 0 HG21 THR A 26 -6.585 -12.660 11.597 1.00 43.44 H new ATOM 0 HG22 THR A 26 -5.243 -12.712 10.429 1.00 43.44 H new ATOM 0 HG23 THR A 26 -4.905 -12.759 12.176 1.00 43.44 H new ATOM 394 N GLN A 27 -4.867 -8.127 10.329 1.00 43.14 N ATOM 395 CA GLN A 27 -5.019 -6.651 10.284 1.00 35.15 C ATOM 396 C GLN A 27 -5.397 -6.066 11.670 1.00 22.34 C ATOM 397 O GLN A 27 -4.790 -5.096 12.117 1.00 60.13 O ATOM 398 CB GLN A 27 -6.097 -6.220 9.257 1.00 12.22 C ATOM 399 CG GLN A 27 -5.801 -6.584 7.789 1.00 10.33 C ATOM 400 CD GLN A 27 -6.804 -5.993 6.781 1.00 62.13 C ATOM 401 OE1 GLN A 27 -7.100 -6.596 5.763 1.00 51.44 O ATOM 402 NE2 GLN A 27 -7.309 -4.795 7.033 1.00 11.21 N ATOM 0 H GLN A 27 -5.460 -8.624 9.665 1.00 43.14 H new ATOM 0 HA GLN A 27 -4.049 -6.258 9.981 1.00 35.15 H new ATOM 0 HB2 GLN A 27 -7.046 -6.674 9.541 1.00 12.22 H new ATOM 0 HB3 GLN A 27 -6.227 -5.140 9.326 1.00 12.22 H new ATOM 0 HG2 GLN A 27 -4.799 -6.237 7.535 1.00 10.33 H new ATOM 0 HG3 GLN A 27 -5.798 -7.669 7.688 1.00 10.33 H new ATOM 0 HE21 GLN A 27 -7.052 -4.303 7.889 1.00 11.21 H new ATOM 0 HE22 GLN A 27 -7.955 -4.364 6.371 1.00 11.21 H new ATOM 411 N LYS A 28 -6.412 -6.684 12.322 1.00 25.11 N ATOM 412 CA LYS A 28 -6.928 -6.244 13.644 1.00 34.45 C ATOM 413 C LYS A 28 -5.831 -6.279 14.735 1.00 44.34 C ATOM 414 O LYS A 28 -5.647 -5.306 15.467 1.00 2.30 O ATOM 415 CB LYS A 28 -8.167 -7.115 14.062 1.00 23.44 C ATOM 416 CG LYS A 28 -8.827 -6.750 15.436 1.00 71.35 C ATOM 417 CD LYS A 28 -8.215 -7.498 16.660 1.00 43.22 C ATOM 418 CE LYS A 28 -8.614 -6.870 18.010 1.00 40.35 C ATOM 419 NZ LYS A 28 -10.087 -6.856 18.222 1.00 63.22 N ATOM 0 H LYS A 28 -6.896 -7.500 11.948 1.00 25.11 H new ATOM 0 HA LYS A 28 -7.246 -5.206 13.547 1.00 34.45 H new ATOM 0 HB2 LYS A 28 -8.925 -7.032 13.283 1.00 23.44 H new ATOM 0 HB3 LYS A 28 -7.858 -8.160 14.095 1.00 23.44 H new ATOM 0 HG2 LYS A 28 -8.733 -5.676 15.597 1.00 71.35 H new ATOM 0 HG3 LYS A 28 -9.893 -6.973 15.385 1.00 71.35 H new ATOM 0 HD2 LYS A 28 -8.537 -8.539 16.641 1.00 43.22 H new ATOM 0 HD3 LYS A 28 -7.129 -7.498 16.573 1.00 43.22 H new ATOM 0 HE2 LYS A 28 -8.140 -7.425 18.819 1.00 40.35 H new ATOM 0 HE3 LYS A 28 -8.234 -5.849 18.058 1.00 40.35 H new ATOM 0 HZ1 LYS A 28 -10.301 -6.424 19.143 1.00 63.22 H new ATOM 0 HZ2 LYS A 28 -10.541 -6.304 17.467 1.00 63.22 H new ATOM 0 HZ3 LYS A 28 -10.450 -7.831 18.204 1.00 63.22 H new ATOM 433 N GLN A 29 -5.127 -7.418 14.831 1.00 64.02 N ATOM 434 CA GLN A 29 -4.121 -7.678 15.898 1.00 61.02 C ATOM 435 C GLN A 29 -2.944 -6.665 15.859 1.00 15.34 C ATOM 436 O GLN A 29 -2.413 -6.266 16.904 1.00 51.35 O ATOM 437 CB GLN A 29 -3.611 -9.134 15.772 1.00 34.34 C ATOM 438 CG GLN A 29 -4.696 -10.208 15.998 1.00 33.12 C ATOM 439 CD GLN A 29 -4.202 -11.632 15.714 1.00 20.32 C ATOM 440 OE1 GLN A 29 -4.324 -12.130 14.603 1.00 63.32 O ATOM 441 NE2 GLN A 29 -3.623 -12.287 16.703 1.00 31.10 N ATOM 0 H GLN A 29 -5.232 -8.192 14.175 1.00 64.02 H new ATOM 0 HA GLN A 29 -4.605 -7.544 16.865 1.00 61.02 H new ATOM 0 HB2 GLN A 29 -3.181 -9.272 14.780 1.00 34.34 H new ATOM 0 HB3 GLN A 29 -2.807 -9.289 16.492 1.00 34.34 H new ATOM 0 HG2 GLN A 29 -5.047 -10.150 17.028 1.00 33.12 H new ATOM 0 HG3 GLN A 29 -5.551 -9.992 15.358 1.00 33.12 H new ATOM 0 HE21 GLN A 29 -3.533 -11.850 17.620 1.00 31.10 H new ATOM 0 HE22 GLN A 29 -3.265 -13.230 16.550 1.00 31.10 H new ATOM 450 N ILE A 30 -2.559 -6.252 14.641 1.00 31.10 N ATOM 451 CA ILE A 30 -1.548 -5.195 14.428 1.00 70.23 C ATOM 452 C ILE A 30 -2.129 -3.789 14.730 1.00 72.40 C ATOM 453 O ILE A 30 -1.525 -3.011 15.457 1.00 73.43 O ATOM 454 CB ILE A 30 -1.001 -5.243 12.959 1.00 42.32 C ATOM 455 CG1 ILE A 30 -0.280 -6.602 12.694 1.00 21.13 C ATOM 456 CG2 ILE A 30 -0.076 -4.043 12.654 1.00 31.41 C ATOM 457 CD1 ILE A 30 0.244 -6.778 11.282 1.00 22.22 C ATOM 0 H ILE A 30 -2.937 -6.638 13.776 1.00 31.10 H new ATOM 0 HA ILE A 30 -0.727 -5.381 15.120 1.00 70.23 H new ATOM 0 HB ILE A 30 -1.850 -5.167 12.279 1.00 42.32 H new ATOM 0 HG12 ILE A 30 0.553 -6.697 13.390 1.00 21.13 H new ATOM 0 HG13 ILE A 30 -0.973 -7.414 12.913 1.00 21.13 H new ATOM 0 HG21 ILE A 30 0.283 -4.112 11.627 1.00 31.41 H new ATOM 0 HG22 ILE A 30 -0.631 -3.114 12.783 1.00 31.41 H new ATOM 0 HG23 ILE A 30 0.774 -4.056 13.337 1.00 31.41 H new ATOM 0 HD11 ILE A 30 0.729 -7.750 11.192 1.00 22.22 H new ATOM 0 HD12 ILE A 30 -0.585 -6.719 10.576 1.00 22.22 H new ATOM 0 HD13 ILE A 30 0.965 -5.991 11.061 1.00 22.22 H new ATOM 469 N LYS A 31 -3.306 -3.496 14.145 1.00 30.20 N ATOM 470 CA LYS A 31 -4.041 -2.206 14.307 1.00 10.14 C ATOM 471 C LYS A 31 -4.341 -1.893 15.803 1.00 45.03 C ATOM 472 O LYS A 31 -4.447 -0.730 16.197 1.00 32.43 O ATOM 473 CB LYS A 31 -5.334 -2.267 13.443 1.00 53.13 C ATOM 474 CG LYS A 31 -6.280 -1.045 13.520 1.00 73.24 C ATOM 475 CD LYS A 31 -7.339 -1.056 12.382 1.00 23.22 C ATOM 476 CE LYS A 31 -8.551 -0.142 12.650 1.00 75.40 C ATOM 477 NZ LYS A 31 -8.178 1.245 13.016 1.00 74.35 N ATOM 0 H LYS A 31 -3.790 -4.154 13.534 1.00 30.20 H new ATOM 0 HA LYS A 31 -3.418 -1.382 13.959 1.00 10.14 H new ATOM 0 HB2 LYS A 31 -5.041 -2.406 12.402 1.00 53.13 H new ATOM 0 HB3 LYS A 31 -5.898 -3.153 13.736 1.00 53.13 H new ATOM 0 HG2 LYS A 31 -6.786 -1.038 14.486 1.00 73.24 H new ATOM 0 HG3 LYS A 31 -5.694 -0.128 13.461 1.00 73.24 H new ATOM 0 HD2 LYS A 31 -6.862 -0.747 11.452 1.00 23.22 H new ATOM 0 HD3 LYS A 31 -7.691 -2.077 12.236 1.00 23.22 H new ATOM 0 HE2 LYS A 31 -9.181 -0.117 11.761 1.00 75.40 H new ATOM 0 HE3 LYS A 31 -9.150 -0.572 13.453 1.00 75.40 H new ATOM 0 HZ1 LYS A 31 -8.491 1.444 13.988 1.00 74.35 H new ATOM 0 HZ2 LYS A 31 -7.146 1.354 12.955 1.00 74.35 H new ATOM 0 HZ3 LYS A 31 -8.636 1.912 12.362 1.00 74.35 H new ATOM 491 N LYS A 32 -4.447 -2.959 16.612 1.00 12.43 N ATOM 492 CA LYS A 32 -4.567 -2.885 18.083 1.00 2.13 C ATOM 493 C LYS A 32 -3.254 -2.361 18.738 1.00 54.21 C ATOM 494 O LYS A 32 -3.278 -1.395 19.514 1.00 11.43 O ATOM 495 CB LYS A 32 -4.941 -4.293 18.635 1.00 2.04 C ATOM 496 CG LYS A 32 -4.977 -4.421 20.177 1.00 30.05 C ATOM 497 CD LYS A 32 -5.989 -3.466 20.856 1.00 41.31 C ATOM 498 CE LYS A 32 -5.923 -3.537 22.389 1.00 70.54 C ATOM 499 NZ LYS A 32 -6.871 -2.596 23.033 1.00 23.40 N ATOM 0 H LYS A 32 -4.452 -3.916 16.259 1.00 12.43 H new ATOM 0 HA LYS A 32 -5.354 -2.175 18.337 1.00 2.13 H new ATOM 0 HB2 LYS A 32 -5.920 -4.568 18.243 1.00 2.04 H new ATOM 0 HB3 LYS A 32 -4.226 -5.018 18.245 1.00 2.04 H new ATOM 0 HG2 LYS A 32 -5.226 -5.449 20.442 1.00 30.05 H new ATOM 0 HG3 LYS A 32 -3.981 -4.222 20.573 1.00 30.05 H new ATOM 0 HD2 LYS A 32 -5.792 -2.444 20.534 1.00 41.31 H new ATOM 0 HD3 LYS A 32 -6.998 -3.716 20.526 1.00 41.31 H new ATOM 0 HE2 LYS A 32 -6.145 -4.553 22.714 1.00 70.54 H new ATOM 0 HE3 LYS A 32 -4.909 -3.311 22.718 1.00 70.54 H new ATOM 0 HZ1 LYS A 32 -6.793 -2.678 24.067 1.00 23.40 H new ATOM 0 HZ2 LYS A 32 -6.644 -1.623 22.744 1.00 23.40 H new ATOM 0 HZ3 LYS A 32 -7.842 -2.827 22.740 1.00 23.40 H new ATOM 513 N ALA A 33 -2.118 -3.004 18.400 1.00 53.31 N ATOM 514 CA ALA A 33 -0.789 -2.687 18.989 1.00 12.04 C ATOM 515 C ALA A 33 -0.273 -1.289 18.553 1.00 21.50 C ATOM 516 O ALA A 33 0.298 -0.537 19.349 1.00 34.03 O ATOM 517 CB ALA A 33 0.221 -3.780 18.590 1.00 41.43 C ATOM 0 H ALA A 33 -2.090 -3.757 17.713 1.00 53.31 H new ATOM 0 HA ALA A 33 -0.899 -2.661 20.073 1.00 12.04 H new ATOM 0 HB1 ALA A 33 1.195 -3.550 19.021 1.00 41.43 H new ATOM 0 HB2 ALA A 33 -0.121 -4.745 18.963 1.00 41.43 H new ATOM 0 HB3 ALA A 33 0.304 -3.819 17.504 1.00 41.43 H new ATOM 523 N THR A 34 -0.499 -0.971 17.274 1.00 51.22 N ATOM 524 CA THR A 34 -0.036 0.281 16.626 1.00 1.14 C ATOM 525 C THR A 34 -1.010 1.458 16.869 1.00 23.34 C ATOM 526 O THR A 34 -0.594 2.624 16.839 1.00 33.34 O ATOM 527 CB THR A 34 0.120 0.067 15.087 1.00 4.42 C ATOM 528 OG1 THR A 34 -1.155 -0.292 14.514 1.00 61.14 O ATOM 529 CG2 THR A 34 1.148 -1.033 14.759 1.00 34.55 C ATOM 0 H THR A 34 -1.017 -1.581 16.641 1.00 51.22 H new ATOM 0 HA THR A 34 0.926 0.532 17.074 1.00 1.14 H new ATOM 0 HB THR A 34 0.479 1.004 14.661 1.00 4.42 H new ATOM 0 HG1 THR A 34 -1.360 -1.225 14.732 1.00 61.14 H new ATOM 0 HG21 THR A 34 1.225 -1.149 13.678 1.00 34.55 H new ATOM 0 HG22 THR A 34 2.121 -0.754 15.164 1.00 34.55 H new ATOM 0 HG23 THR A 34 0.827 -1.975 15.203 1.00 34.55 H new ATOM 537 N LYS A 35 -2.303 1.125 17.098 1.00 65.32 N ATOM 538 CA LYS A 35 -3.403 2.104 17.322 1.00 22.45 C ATOM 539 C LYS A 35 -3.590 3.062 16.114 1.00 70.32 C ATOM 540 O LYS A 35 -3.884 4.252 16.274 1.00 32.04 O ATOM 541 CB LYS A 35 -3.220 2.879 18.659 1.00 74.13 C ATOM 542 CG LYS A 35 -3.239 1.991 19.926 1.00 65.21 C ATOM 543 CD LYS A 35 -3.095 2.807 21.232 1.00 61.33 C ATOM 544 CE LYS A 35 -4.270 3.777 21.470 1.00 3.30 C ATOM 545 NZ LYS A 35 -4.049 4.630 22.667 1.00 5.20 N ATOM 0 H LYS A 35 -2.619 0.156 17.134 1.00 65.32 H new ATOM 0 HA LYS A 35 -4.326 1.530 17.409 1.00 22.45 H new ATOM 0 HB2 LYS A 35 -2.274 3.419 18.624 1.00 74.13 H new ATOM 0 HB3 LYS A 35 -4.010 3.625 18.742 1.00 74.13 H new ATOM 0 HG2 LYS A 35 -4.172 1.428 19.956 1.00 65.21 H new ATOM 0 HG3 LYS A 35 -2.430 1.263 19.866 1.00 65.21 H new ATOM 0 HD2 LYS A 35 -3.021 2.121 22.076 1.00 61.33 H new ATOM 0 HD3 LYS A 35 -2.164 3.374 21.199 1.00 61.33 H new ATOM 0 HE2 LYS A 35 -4.402 4.410 20.592 1.00 3.30 H new ATOM 0 HE3 LYS A 35 -5.191 3.208 21.594 1.00 3.30 H new ATOM 0 HZ1 LYS A 35 -4.860 5.268 22.793 1.00 5.20 H new ATOM 0 HZ2 LYS A 35 -3.948 4.028 23.509 1.00 5.20 H new ATOM 0 HZ3 LYS A 35 -3.184 5.192 22.538 1.00 5.20 H new ATOM 559 N LEU A 36 -3.426 2.505 14.902 1.00 64.33 N ATOM 560 CA LEU A 36 -3.687 3.228 13.641 1.00 61.35 C ATOM 561 C LEU A 36 -5.203 3.498 13.490 1.00 13.45 C ATOM 562 O LEU A 36 -5.992 2.556 13.538 1.00 10.51 O ATOM 563 CB LEU A 36 -3.140 2.411 12.443 1.00 41.24 C ATOM 564 CG LEU A 36 -1.596 2.169 12.453 1.00 34.45 C ATOM 565 CD1 LEU A 36 -1.143 1.325 11.247 1.00 51.12 C ATOM 566 CD2 LEU A 36 -0.815 3.503 12.535 1.00 3.15 C ATOM 0 H LEU A 36 -3.110 1.545 14.767 1.00 64.33 H new ATOM 0 HA LEU A 36 -3.173 4.189 13.660 1.00 61.35 H new ATOM 0 HB2 LEU A 36 -3.643 1.444 12.423 1.00 41.24 H new ATOM 0 HB3 LEU A 36 -3.405 2.927 11.520 1.00 41.24 H new ATOM 0 HG LEU A 36 -1.365 1.597 13.352 1.00 34.45 H new ATOM 0 HD11 LEU A 36 -0.064 1.179 11.290 1.00 51.12 H new ATOM 0 HD12 LEU A 36 -1.642 0.356 11.273 1.00 51.12 H new ATOM 0 HD13 LEU A 36 -1.403 1.842 10.323 1.00 51.12 H new ATOM 0 HD21 LEU A 36 0.256 3.298 12.540 1.00 3.15 H new ATOM 0 HD22 LEU A 36 -1.062 4.123 11.673 1.00 3.15 H new ATOM 0 HD23 LEU A 36 -1.088 4.029 13.450 1.00 3.15 H new ATOM 578 N LYS A 37 -5.587 4.786 13.318 1.00 10.15 N ATOM 579 CA LYS A 37 -7.005 5.248 13.356 1.00 73.52 C ATOM 580 C LYS A 37 -7.926 4.490 12.358 1.00 1.03 C ATOM 581 O LYS A 37 -9.095 4.226 12.653 1.00 31.14 O ATOM 582 CB LYS A 37 -7.083 6.780 13.085 1.00 33.24 C ATOM 583 CG LYS A 37 -6.674 7.201 11.653 1.00 5.31 C ATOM 584 CD LYS A 37 -6.788 8.718 11.396 1.00 53.10 C ATOM 585 CE LYS A 37 -6.602 9.060 9.903 1.00 1.10 C ATOM 586 NZ LYS A 37 -5.315 8.546 9.357 1.00 3.51 N ATOM 0 H LYS A 37 -4.922 5.541 13.148 1.00 10.15 H new ATOM 0 HA LYS A 37 -7.372 5.026 14.358 1.00 73.52 H new ATOM 0 HB2 LYS A 37 -8.102 7.118 13.272 1.00 33.24 H new ATOM 0 HB3 LYS A 37 -6.441 7.295 13.799 1.00 33.24 H new ATOM 0 HG2 LYS A 37 -5.646 6.887 11.471 1.00 5.31 H new ATOM 0 HG3 LYS A 37 -7.301 6.672 10.935 1.00 5.31 H new ATOM 0 HD2 LYS A 37 -7.763 9.072 11.731 1.00 53.10 H new ATOM 0 HD3 LYS A 37 -6.038 9.244 11.986 1.00 53.10 H new ATOM 0 HE2 LYS A 37 -7.429 8.640 9.331 1.00 1.10 H new ATOM 0 HE3 LYS A 37 -6.642 10.142 9.773 1.00 1.10 H new ATOM 0 HZ1 LYS A 37 -4.813 9.315 8.870 1.00 3.51 H new ATOM 0 HZ2 LYS A 37 -4.726 8.187 10.136 1.00 3.51 H new ATOM 0 HZ3 LYS A 37 -5.506 7.776 8.684 1.00 3.51 H new ATOM 600 N ALA A 38 -7.369 4.131 11.192 1.00 3.33 N ATOM 601 CA ALA A 38 -8.108 3.473 10.100 1.00 12.25 C ATOM 602 C ALA A 38 -7.292 2.324 9.485 1.00 64.12 C ATOM 603 O ALA A 38 -6.131 2.088 9.847 1.00 13.30 O ATOM 604 CB ALA A 38 -8.480 4.515 9.025 1.00 64.10 C ATOM 0 H ALA A 38 -6.385 4.290 10.977 1.00 3.33 H new ATOM 0 HA ALA A 38 -9.021 3.041 10.510 1.00 12.25 H new ATOM 0 HB1 ALA A 38 -9.026 4.026 8.218 1.00 64.10 H new ATOM 0 HB2 ALA A 38 -9.105 5.289 9.470 1.00 64.10 H new ATOM 0 HB3 ALA A 38 -7.572 4.967 8.626 1.00 64.10 H new ATOM 610 N ASP A 39 -7.943 1.602 8.571 1.00 62.12 N ATOM 611 CA ASP A 39 -7.306 0.585 7.711 1.00 30.21 C ATOM 612 C ASP A 39 -6.265 1.229 6.752 1.00 30.51 C ATOM 613 O ASP A 39 -5.250 0.618 6.422 1.00 0.13 O ATOM 614 CB ASP A 39 -8.411 -0.151 6.911 1.00 65.44 C ATOM 615 CG ASP A 39 -9.307 0.816 6.101 1.00 51.53 C ATOM 616 OD1 ASP A 39 -10.292 1.344 6.653 1.00 12.22 O ATOM 617 OD2 ASP A 39 -9.014 1.077 4.919 1.00 52.00 O ATOM 0 H ASP A 39 -8.943 1.704 8.400 1.00 62.12 H new ATOM 0 HA ASP A 39 -6.767 -0.128 8.335 1.00 30.21 H new ATOM 0 HB2 ASP A 39 -7.947 -0.865 6.231 1.00 65.44 H new ATOM 0 HB3 ASP A 39 -9.032 -0.724 7.600 1.00 65.44 H new ATOM 622 N LYS A 40 -6.557 2.475 6.331 1.00 65.21 N ATOM 623 CA LYS A 40 -5.742 3.259 5.366 1.00 70.40 C ATOM 624 C LYS A 40 -4.265 3.397 5.811 1.00 43.03 C ATOM 625 O LYS A 40 -3.343 3.223 5.009 1.00 2.20 O ATOM 626 CB LYS A 40 -6.373 4.667 5.204 1.00 33.41 C ATOM 627 CG LYS A 40 -7.872 4.660 4.818 1.00 21.14 C ATOM 628 CD LYS A 40 -8.130 4.168 3.379 1.00 43.31 C ATOM 629 CE LYS A 40 -9.620 4.234 2.991 1.00 35.21 C ATOM 630 NZ LYS A 40 -10.473 3.415 3.904 1.00 4.44 N ATOM 0 H LYS A 40 -7.382 2.980 6.655 1.00 65.21 H new ATOM 0 HA LYS A 40 -5.741 2.723 4.417 1.00 70.40 H new ATOM 0 HB2 LYS A 40 -6.255 5.214 6.139 1.00 33.41 H new ATOM 0 HB3 LYS A 40 -5.818 5.214 4.442 1.00 33.41 H new ATOM 0 HG2 LYS A 40 -8.416 4.023 5.515 1.00 21.14 H new ATOM 0 HG3 LYS A 40 -8.273 5.668 4.927 1.00 21.14 H new ATOM 0 HD2 LYS A 40 -7.549 4.772 2.682 1.00 43.31 H new ATOM 0 HD3 LYS A 40 -7.777 3.141 3.281 1.00 43.31 H new ATOM 0 HE2 LYS A 40 -9.955 5.271 3.015 1.00 35.21 H new ATOM 0 HE3 LYS A 40 -9.744 3.882 1.967 1.00 35.21 H new ATOM 0 HZ1 LYS A 40 -11.319 3.092 3.392 1.00 4.44 H new ATOM 0 HZ2 LYS A 40 -9.933 2.591 4.237 1.00 4.44 H new ATOM 0 HZ3 LYS A 40 -10.762 3.992 4.720 1.00 4.44 H new ATOM 644 N ASP A 41 -4.079 3.678 7.115 1.00 40.32 N ATOM 645 CA ASP A 41 -2.751 3.833 7.753 1.00 11.50 C ATOM 646 C ASP A 41 -1.946 2.505 7.662 1.00 51.51 C ATOM 647 O ASP A 41 -0.728 2.501 7.427 1.00 40.33 O ATOM 648 CB ASP A 41 -2.933 4.229 9.246 1.00 22.24 C ATOM 649 CG ASP A 41 -3.848 5.448 9.472 1.00 65.11 C ATOM 650 OD1 ASP A 41 -5.080 5.331 9.284 1.00 35.15 O ATOM 651 OD2 ASP A 41 -3.353 6.523 9.866 1.00 43.22 O ATOM 0 H ASP A 41 -4.854 3.806 7.766 1.00 40.32 H new ATOM 0 HA ASP A 41 -2.200 4.615 7.230 1.00 11.50 H new ATOM 0 HB2 ASP A 41 -3.342 3.377 9.788 1.00 22.24 H new ATOM 0 HB3 ASP A 41 -1.954 4.440 9.676 1.00 22.24 H new ATOM 656 N PHE A 42 -2.678 1.388 7.833 1.00 75.34 N ATOM 657 CA PHE A 42 -2.121 0.021 7.836 1.00 12.14 C ATOM 658 C PHE A 42 -1.541 -0.381 6.453 1.00 44.44 C ATOM 659 O PHE A 42 -0.500 -1.027 6.390 1.00 30.41 O ATOM 660 CB PHE A 42 -3.217 -0.982 8.301 1.00 11.35 C ATOM 661 CG PHE A 42 -2.793 -2.451 8.297 1.00 62.34 C ATOM 662 CD1 PHE A 42 -1.982 -2.964 9.306 1.00 70.20 C ATOM 663 CD2 PHE A 42 -3.207 -3.319 7.282 1.00 31.11 C ATOM 664 CE1 PHE A 42 -1.600 -4.289 9.300 1.00 75.21 C ATOM 665 CE2 PHE A 42 -2.821 -4.644 7.284 1.00 71.45 C ATOM 666 CZ PHE A 42 -2.016 -5.129 8.293 1.00 73.21 C ATOM 0 H PHE A 42 -3.688 1.410 7.975 1.00 75.34 H new ATOM 0 HA PHE A 42 -1.286 -0.006 8.537 1.00 12.14 H new ATOM 0 HB2 PHE A 42 -3.530 -0.713 9.310 1.00 11.35 H new ATOM 0 HB3 PHE A 42 -4.088 -0.869 7.656 1.00 11.35 H new ATOM 0 HD1 PHE A 42 -1.648 -2.316 10.103 1.00 70.20 H new ATOM 0 HD2 PHE A 42 -3.837 -2.948 6.487 1.00 31.11 H new ATOM 0 HE1 PHE A 42 -0.970 -4.670 10.091 1.00 75.21 H new ATOM 0 HE2 PHE A 42 -3.150 -5.302 6.494 1.00 71.45 H new ATOM 0 HZ PHE A 42 -1.713 -6.166 8.293 1.00 73.21 H new ATOM 676 N PHE A 43 -2.224 -0.004 5.354 1.00 5.35 N ATOM 677 CA PHE A 43 -1.784 -0.355 3.970 1.00 40.04 C ATOM 678 C PHE A 43 -0.454 0.338 3.575 1.00 0.22 C ATOM 679 O PHE A 43 0.347 -0.231 2.824 1.00 13.41 O ATOM 680 CB PHE A 43 -2.895 -0.025 2.940 1.00 14.44 C ATOM 681 CG PHE A 43 -4.203 -0.769 3.200 1.00 21.43 C ATOM 682 CD1 PHE A 43 -4.237 -2.166 3.233 1.00 2.51 C ATOM 683 CD2 PHE A 43 -5.386 -0.080 3.446 1.00 40.40 C ATOM 684 CE1 PHE A 43 -5.413 -2.843 3.496 1.00 14.52 C ATOM 685 CE2 PHE A 43 -6.556 -0.756 3.714 1.00 35.23 C ATOM 686 CZ PHE A 43 -6.573 -2.136 3.741 1.00 72.00 C ATOM 0 H PHE A 43 -3.084 0.544 5.388 1.00 5.35 H new ATOM 0 HA PHE A 43 -1.600 -1.429 3.961 1.00 40.04 H new ATOM 0 HB2 PHE A 43 -3.087 1.048 2.955 1.00 14.44 H new ATOM 0 HB3 PHE A 43 -2.538 -0.271 1.940 1.00 14.44 H new ATOM 0 HD1 PHE A 43 -3.331 -2.725 3.050 1.00 2.51 H new ATOM 0 HD2 PHE A 43 -5.387 1.000 3.427 1.00 40.40 H new ATOM 0 HE1 PHE A 43 -5.424 -3.923 3.510 1.00 14.52 H new ATOM 0 HE2 PHE A 43 -7.464 -0.204 3.904 1.00 35.23 H new ATOM 0 HZ PHE A 43 -7.492 -2.662 3.953 1.00 72.00 H new ATOM 696 N LEU A 44 -0.233 1.565 4.083 1.00 64.22 N ATOM 697 CA LEU A 44 1.024 2.329 3.853 1.00 12.51 C ATOM 698 C LEU A 44 2.238 1.646 4.542 1.00 3.33 C ATOM 699 O LEU A 44 3.340 1.596 3.973 1.00 51.02 O ATOM 700 CB LEU A 44 0.862 3.806 4.335 1.00 23.12 C ATOM 701 CG LEU A 44 0.181 4.801 3.325 1.00 45.20 C ATOM 702 CD1 LEU A 44 -1.209 4.318 2.854 1.00 23.14 C ATOM 703 CD2 LEU A 44 0.096 6.222 3.924 1.00 2.12 C ATOM 0 H LEU A 44 -0.912 2.059 4.662 1.00 64.22 H new ATOM 0 HA LEU A 44 1.221 2.337 2.781 1.00 12.51 H new ATOM 0 HB2 LEU A 44 0.280 3.803 5.256 1.00 23.12 H new ATOM 0 HB3 LEU A 44 1.850 4.194 4.584 1.00 23.12 H new ATOM 0 HG LEU A 44 0.817 4.832 2.441 1.00 45.20 H new ATOM 0 HD11 LEU A 44 -1.630 5.044 2.159 1.00 23.14 H new ATOM 0 HD12 LEU A 44 -1.109 3.354 2.355 1.00 23.14 H new ATOM 0 HD13 LEU A 44 -1.869 4.214 3.715 1.00 23.14 H new ATOM 0 HD21 LEU A 44 -0.379 6.891 3.207 1.00 2.12 H new ATOM 0 HD22 LEU A 44 -0.493 6.196 4.841 1.00 2.12 H new ATOM 0 HD23 LEU A 44 1.100 6.583 4.148 1.00 2.12 H new ATOM 715 N GLY A 45 2.013 1.115 5.760 1.00 33.30 N ATOM 716 CA GLY A 45 3.057 0.396 6.508 1.00 13.02 C ATOM 717 C GLY A 45 3.316 -1.024 5.980 1.00 20.31 C ATOM 718 O GLY A 45 4.445 -1.371 5.660 1.00 62.33 O ATOM 0 H GLY A 45 1.117 1.172 6.244 1.00 33.30 H new ATOM 0 HA2 GLY A 45 3.984 0.967 6.464 1.00 13.02 H new ATOM 0 HA3 GLY A 45 2.768 0.339 7.557 1.00 13.02 H new ATOM 722 N LEU A 46 2.244 -1.834 5.870 1.00 33.42 N ATOM 723 CA LEU A 46 2.312 -3.242 5.374 1.00 42.12 C ATOM 724 C LEU A 46 2.857 -3.323 3.924 1.00 21.21 C ATOM 725 O LEU A 46 3.596 -4.248 3.568 1.00 5.34 O ATOM 726 CB LEU A 46 0.908 -3.906 5.426 1.00 2.33 C ATOM 727 CG LEU A 46 0.856 -5.403 4.970 1.00 72.10 C ATOM 728 CD1 LEU A 46 1.656 -6.299 5.933 1.00 11.51 C ATOM 729 CD2 LEU A 46 -0.594 -5.906 4.792 1.00 51.20 C ATOM 0 H LEU A 46 1.300 -1.539 6.121 1.00 33.42 H new ATOM 0 HA LEU A 46 3.000 -3.775 6.030 1.00 42.12 H new ATOM 0 HB2 LEU A 46 0.532 -3.842 6.447 1.00 2.33 H new ATOM 0 HB3 LEU A 46 0.228 -3.329 4.799 1.00 2.33 H new ATOM 0 HG LEU A 46 1.328 -5.462 3.989 1.00 72.10 H new ATOM 0 HD11 LEU A 46 1.604 -7.334 5.595 1.00 11.51 H new ATOM 0 HD12 LEU A 46 2.696 -5.975 5.952 1.00 11.51 H new ATOM 0 HD13 LEU A 46 1.234 -6.224 6.935 1.00 11.51 H new ATOM 0 HD21 LEU A 46 -0.581 -6.949 4.475 1.00 51.20 H new ATOM 0 HD22 LEU A 46 -1.127 -5.821 5.739 1.00 51.20 H new ATOM 0 HD23 LEU A 46 -1.098 -5.303 4.036 1.00 51.20 H new ATOM 741 N GLY A 47 2.480 -2.324 3.115 1.00 45.01 N ATOM 742 CA GLY A 47 2.922 -2.219 1.710 1.00 11.32 C ATOM 743 C GLY A 47 4.433 -2.012 1.597 1.00 13.43 C ATOM 744 O GLY A 47 5.074 -2.431 0.622 1.00 64.44 O ATOM 0 H GLY A 47 1.863 -1.567 3.410 1.00 45.01 H new ATOM 0 HA2 GLY A 47 2.639 -3.124 1.173 1.00 11.32 H new ATOM 0 HA3 GLY A 47 2.406 -1.388 1.229 1.00 11.32 H new ATOM 748 N TRP A 48 4.993 -1.344 2.621 1.00 72.21 N ATOM 749 CA TRP A 48 6.441 -1.176 2.777 1.00 71.13 C ATOM 750 C TRP A 48 7.108 -2.528 3.172 1.00 44.10 C ATOM 751 O TRP A 48 8.153 -2.900 2.641 1.00 34.03 O ATOM 752 CB TRP A 48 6.735 -0.081 3.841 1.00 45.02 C ATOM 753 CG TRP A 48 8.165 0.377 3.836 1.00 14.31 C ATOM 754 CD1 TRP A 48 9.257 -0.334 4.225 1.00 12.45 C ATOM 755 CD2 TRP A 48 8.651 1.648 3.417 1.00 41.35 C ATOM 756 NE1 TRP A 48 10.390 0.376 3.991 1.00 23.12 N ATOM 757 CE2 TRP A 48 10.049 1.606 3.521 1.00 42.54 C ATOM 758 CE3 TRP A 48 8.039 2.803 2.949 1.00 41.20 C ATOM 759 CZ2 TRP A 48 10.851 2.674 3.168 1.00 43.00 C ATOM 760 CZ3 TRP A 48 8.832 3.871 2.606 1.00 11.43 C ATOM 761 CH2 TRP A 48 10.229 3.803 2.716 1.00 32.15 C ATOM 0 H TRP A 48 4.449 -0.906 3.364 1.00 72.21 H new ATOM 0 HA TRP A 48 6.865 -0.858 1.825 1.00 71.13 H new ATOM 0 HB2 TRP A 48 6.085 0.775 3.661 1.00 45.02 H new ATOM 0 HB3 TRP A 48 6.487 -0.468 4.830 1.00 45.02 H new ATOM 0 HD1 TRP A 48 9.227 -1.323 4.658 1.00 12.45 H new ATOM 0 HE1 TRP A 48 11.342 0.042 4.143 1.00 23.12 H new ATOM 0 HE3 TRP A 48 6.964 2.860 2.857 1.00 41.20 H new ATOM 0 HZ2 TRP A 48 11.927 2.619 3.246 1.00 43.00 H new ATOM 0 HZ3 TRP A 48 8.372 4.779 2.245 1.00 11.43 H new ATOM 0 HH2 TRP A 48 10.824 4.660 2.438 1.00 32.15 H new ATOM 772 N LEU A 49 6.494 -3.246 4.115 1.00 14.15 N ATOM 773 CA LEU A 49 6.973 -4.584 4.565 1.00 63.22 C ATOM 774 C LEU A 49 7.050 -5.602 3.387 1.00 63.22 C ATOM 775 O LEU A 49 7.865 -6.532 3.409 1.00 1.43 O ATOM 776 CB LEU A 49 6.061 -5.105 5.717 1.00 12.41 C ATOM 777 CG LEU A 49 6.368 -4.588 7.165 1.00 54.21 C ATOM 778 CD1 LEU A 49 6.592 -3.087 7.203 1.00 61.23 C ATOM 779 CD2 LEU A 49 5.239 -4.985 8.139 1.00 13.12 C ATOM 0 H LEU A 49 5.652 -2.930 4.596 1.00 14.15 H new ATOM 0 HA LEU A 49 7.990 -4.478 4.943 1.00 63.22 H new ATOM 0 HB2 LEU A 49 5.031 -4.843 5.476 1.00 12.41 H new ATOM 0 HB3 LEU A 49 6.119 -6.193 5.728 1.00 12.41 H new ATOM 0 HG LEU A 49 7.295 -5.065 7.483 1.00 54.21 H new ATOM 0 HD11 LEU A 49 6.801 -2.776 8.227 1.00 61.23 H new ATOM 0 HD12 LEU A 49 7.438 -2.829 6.566 1.00 61.23 H new ATOM 0 HD13 LEU A 49 5.698 -2.577 6.844 1.00 61.23 H new ATOM 0 HD21 LEU A 49 5.473 -4.616 9.137 1.00 13.12 H new ATOM 0 HD22 LEU A 49 4.298 -4.549 7.803 1.00 13.12 H new ATOM 0 HD23 LEU A 49 5.147 -6.071 8.166 1.00 13.12 H new ATOM 791 N LEU A 50 6.174 -5.416 2.379 1.00 33.54 N ATOM 792 CA LEU A 50 6.231 -6.166 1.104 1.00 52.01 C ATOM 793 C LEU A 50 7.435 -5.747 0.217 1.00 53.14 C ATOM 794 O LEU A 50 8.111 -6.613 -0.336 1.00 22.22 O ATOM 795 CB LEU A 50 4.900 -5.997 0.313 1.00 71.03 C ATOM 796 CG LEU A 50 3.651 -6.692 0.940 1.00 71.23 C ATOM 797 CD1 LEU A 50 2.369 -6.411 0.120 1.00 54.15 C ATOM 798 CD2 LEU A 50 3.900 -8.209 1.099 1.00 51.20 C ATOM 0 H LEU A 50 5.408 -4.744 2.424 1.00 33.54 H new ATOM 0 HA LEU A 50 6.371 -7.216 1.362 1.00 52.01 H new ATOM 0 HB2 LEU A 50 4.690 -4.932 0.214 1.00 71.03 H new ATOM 0 HB3 LEU A 50 5.044 -6.388 -0.694 1.00 71.03 H new ATOM 0 HG LEU A 50 3.492 -6.268 1.931 1.00 71.23 H new ATOM 0 HD11 LEU A 50 1.521 -6.911 0.588 1.00 54.15 H new ATOM 0 HD12 LEU A 50 2.185 -5.337 0.089 1.00 54.15 H new ATOM 0 HD13 LEU A 50 2.497 -6.786 -0.895 1.00 54.15 H new ATOM 0 HD21 LEU A 50 3.019 -8.678 1.538 1.00 51.20 H new ATOM 0 HD22 LEU A 50 4.097 -8.650 0.122 1.00 51.20 H new ATOM 0 HD23 LEU A 50 4.759 -8.370 1.750 1.00 51.20 H new ATOM 810 N ARG A 51 7.704 -4.423 0.093 1.00 34.11 N ATOM 811 CA ARG A 51 8.705 -3.890 -0.886 1.00 52.43 C ATOM 812 C ARG A 51 10.147 -4.438 -0.664 1.00 63.13 C ATOM 813 O ARG A 51 10.927 -4.545 -1.619 1.00 20.34 O ATOM 814 CB ARG A 51 8.717 -2.328 -0.887 1.00 13.41 C ATOM 815 CG ARG A 51 9.541 -1.631 0.228 1.00 51.40 C ATOM 816 CD ARG A 51 9.527 -0.098 0.131 1.00 20.01 C ATOM 817 NE ARG A 51 8.167 0.467 0.192 1.00 51.01 N ATOM 818 CZ ARG A 51 7.783 1.623 -0.326 1.00 71.33 C ATOM 819 NH1 ARG A 51 8.635 2.425 -0.894 1.00 34.24 N ATOM 820 NH2 ARG A 51 6.542 1.978 -0.255 1.00 2.53 N ATOM 0 H ARG A 51 7.248 -3.702 0.652 1.00 34.11 H new ATOM 0 HA ARG A 51 8.380 -4.249 -1.862 1.00 52.43 H new ATOM 0 HB2 ARG A 51 9.099 -1.992 -1.851 1.00 13.41 H new ATOM 0 HB3 ARG A 51 7.686 -1.981 -0.814 1.00 13.41 H new ATOM 0 HG2 ARG A 51 9.148 -1.929 1.200 1.00 51.40 H new ATOM 0 HG3 ARG A 51 10.572 -1.981 0.180 1.00 51.40 H new ATOM 0 HD2 ARG A 51 10.125 0.318 0.942 1.00 20.01 H new ATOM 0 HD3 ARG A 51 10.000 0.207 -0.802 1.00 20.01 H new ATOM 0 HE ARG A 51 7.458 -0.082 0.677 1.00 51.01 H new ATOM 0 HH11 ARG A 51 9.621 2.168 -0.947 1.00 34.24 H new ATOM 0 HH12 ARG A 51 8.318 3.311 -1.287 1.00 34.24 H new ATOM 0 HH21 ARG A 51 5.862 1.368 0.199 1.00 2.53 H new ATOM 0 HH22 ARG A 51 6.243 2.868 -0.653 1.00 2.53 H new ATOM 834 N GLU A 52 10.480 -4.775 0.596 1.00 51.15 N ATOM 835 CA GLU A 52 11.818 -5.294 0.989 1.00 64.42 C ATOM 836 C GLU A 52 11.844 -6.835 1.143 1.00 3.13 C ATOM 837 O GLU A 52 12.925 -7.407 1.350 1.00 73.25 O ATOM 838 CB GLU A 52 12.243 -4.635 2.333 1.00 54.32 C ATOM 839 CG GLU A 52 12.300 -3.096 2.301 1.00 2.43 C ATOM 840 CD GLU A 52 12.554 -2.479 3.688 1.00 72.35 C ATOM 841 OE1 GLU A 52 11.597 -2.371 4.476 1.00 23.40 O ATOM 842 OE2 GLU A 52 13.711 -2.133 4.007 1.00 55.33 O ATOM 0 H GLU A 52 9.831 -4.697 1.379 1.00 51.15 H new ATOM 0 HA GLU A 52 12.514 -5.040 0.190 1.00 64.42 H new ATOM 0 HB2 GLU A 52 11.545 -4.944 3.111 1.00 54.32 H new ATOM 0 HB3 GLU A 52 13.224 -5.016 2.616 1.00 54.32 H new ATOM 0 HG2 GLU A 52 13.089 -2.780 1.618 1.00 2.43 H new ATOM 0 HG3 GLU A 52 11.361 -2.710 1.903 1.00 2.43 H new ATOM 849 N ASP A 53 10.655 -7.489 1.049 1.00 51.05 N ATOM 850 CA ASP A 53 10.467 -8.918 1.406 1.00 3.21 C ATOM 851 C ASP A 53 10.799 -9.137 2.906 1.00 4.51 C ATOM 852 O ASP A 53 11.515 -10.074 3.285 1.00 42.21 O ATOM 853 CB ASP A 53 11.287 -9.866 0.476 1.00 20.34 C ATOM 854 CG ASP A 53 10.772 -9.877 -0.971 1.00 43.05 C ATOM 855 OD1 ASP A 53 11.067 -8.925 -1.734 1.00 13.11 O ATOM 856 OD2 ASP A 53 10.042 -10.830 -1.345 1.00 61.33 O ATOM 0 H ASP A 53 9.800 -7.038 0.723 1.00 51.05 H new ATOM 0 HA ASP A 53 9.420 -9.177 1.248 1.00 3.21 H new ATOM 0 HB2 ASP A 53 12.332 -9.557 0.482 1.00 20.34 H new ATOM 0 HB3 ASP A 53 11.252 -10.879 0.876 1.00 20.34 H new ATOM 861 N LYS A 54 10.256 -8.236 3.743 1.00 42.03 N ATOM 862 CA LYS A 54 10.463 -8.233 5.208 1.00 72.13 C ATOM 863 C LYS A 54 9.329 -9.011 5.934 1.00 60.44 C ATOM 864 O LYS A 54 9.473 -9.395 7.105 1.00 71.42 O ATOM 865 CB LYS A 54 10.569 -6.752 5.684 1.00 64.25 C ATOM 866 CG LYS A 54 11.008 -6.552 7.156 1.00 72.30 C ATOM 867 CD LYS A 54 11.320 -5.067 7.494 1.00 11.12 C ATOM 868 CE LYS A 54 12.586 -4.549 6.777 1.00 3.50 C ATOM 869 NZ LYS A 54 12.805 -3.092 6.989 1.00 21.25 N ATOM 0 H LYS A 54 9.653 -7.479 3.421 1.00 42.03 H new ATOM 0 HA LYS A 54 11.389 -8.750 5.460 1.00 72.13 H new ATOM 0 HB2 LYS A 54 11.277 -6.231 5.039 1.00 64.25 H new ATOM 0 HB3 LYS A 54 9.599 -6.274 5.545 1.00 64.25 H new ATOM 0 HG2 LYS A 54 10.221 -6.913 7.818 1.00 72.30 H new ATOM 0 HG3 LYS A 54 11.892 -7.158 7.352 1.00 72.30 H new ATOM 0 HD2 LYS A 54 10.468 -4.447 7.213 1.00 11.12 H new ATOM 0 HD3 LYS A 54 11.448 -4.963 8.571 1.00 11.12 H new ATOM 0 HE2 LYS A 54 13.455 -5.100 7.137 1.00 3.50 H new ATOM 0 HE3 LYS A 54 12.502 -4.749 5.709 1.00 3.50 H new ATOM 0 HZ1 LYS A 54 13.824 -2.886 6.961 1.00 21.25 H new ATOM 0 HZ2 LYS A 54 12.323 -2.556 6.239 1.00 21.25 H new ATOM 0 HZ3 LYS A 54 12.421 -2.814 7.915 1.00 21.25 H new ATOM 883 N VAL A 55 8.206 -9.266 5.209 1.00 50.54 N ATOM 884 CA VAL A 55 7.078 -10.112 5.697 1.00 44.21 C ATOM 885 C VAL A 55 6.551 -11.069 4.599 1.00 24.34 C ATOM 886 O VAL A 55 6.860 -10.919 3.413 1.00 54.44 O ATOM 887 CB VAL A 55 5.861 -9.267 6.221 1.00 61.13 C ATOM 888 CG1 VAL A 55 6.260 -8.392 7.428 1.00 75.42 C ATOM 889 CG2 VAL A 55 5.202 -8.445 5.080 1.00 3.23 C ATOM 0 H VAL A 55 8.056 -8.892 4.272 1.00 50.54 H new ATOM 0 HA VAL A 55 7.500 -10.685 6.523 1.00 44.21 H new ATOM 0 HB VAL A 55 5.102 -9.963 6.578 1.00 61.13 H new ATOM 0 HG11 VAL A 55 5.395 -7.821 7.765 1.00 75.42 H new ATOM 0 HG12 VAL A 55 6.612 -9.030 8.239 1.00 75.42 H new ATOM 0 HG13 VAL A 55 7.055 -7.707 7.134 1.00 75.42 H new ATOM 0 HG21 VAL A 55 4.364 -7.874 5.480 1.00 3.23 H new ATOM 0 HG22 VAL A 55 5.936 -7.762 4.653 1.00 3.23 H new ATOM 0 HG23 VAL A 55 4.842 -9.122 4.305 1.00 3.23 H new ATOM 899 N VAL A 56 5.750 -12.062 5.033 1.00 50.15 N ATOM 900 CA VAL A 56 4.957 -12.938 4.141 1.00 22.32 C ATOM 901 C VAL A 56 3.456 -12.644 4.344 1.00 24.15 C ATOM 902 O VAL A 56 2.959 -12.736 5.466 1.00 52.45 O ATOM 903 CB VAL A 56 5.222 -14.466 4.428 1.00 32.54 C ATOM 904 CG1 VAL A 56 4.462 -15.380 3.424 1.00 73.02 C ATOM 905 CG2 VAL A 56 6.734 -14.780 4.440 1.00 44.45 C ATOM 0 H VAL A 56 5.633 -12.283 6.022 1.00 50.15 H new ATOM 0 HA VAL A 56 5.259 -12.729 3.115 1.00 22.32 H new ATOM 0 HB VAL A 56 4.831 -14.682 5.422 1.00 32.54 H new ATOM 0 HG11 VAL A 56 4.670 -16.425 3.654 1.00 73.02 H new ATOM 0 HG12 VAL A 56 3.391 -15.197 3.504 1.00 73.02 H new ATOM 0 HG13 VAL A 56 4.793 -15.159 2.409 1.00 73.02 H new ATOM 0 HG21 VAL A 56 6.884 -15.841 4.640 1.00 44.45 H new ATOM 0 HG22 VAL A 56 7.165 -14.529 3.471 1.00 44.45 H new ATOM 0 HG23 VAL A 56 7.222 -14.192 5.217 1.00 44.45 H new ATOM 915 N THR A 57 2.739 -12.320 3.259 1.00 54.13 N ATOM 916 CA THR A 57 1.288 -12.022 3.302 1.00 1.43 C ATOM 917 C THR A 57 0.491 -13.119 2.562 1.00 64.45 C ATOM 918 O THR A 57 0.845 -13.526 1.450 1.00 73.24 O ATOM 919 CB THR A 57 0.970 -10.622 2.677 1.00 4.01 C ATOM 920 OG1 THR A 57 1.589 -10.519 1.380 1.00 52.42 O ATOM 921 CG2 THR A 57 1.444 -9.463 3.576 1.00 13.54 C ATOM 0 H THR A 57 3.142 -12.255 2.324 1.00 54.13 H new ATOM 0 HA THR A 57 0.988 -12.002 4.350 1.00 1.43 H new ATOM 0 HB THR A 57 -0.113 -10.541 2.582 1.00 4.01 H new ATOM 0 HG1 THR A 57 1.273 -9.708 0.930 1.00 52.42 H new ATOM 0 HG21 THR A 57 1.202 -8.512 3.101 1.00 13.54 H new ATOM 0 HG22 THR A 57 0.944 -9.524 4.542 1.00 13.54 H new ATOM 0 HG23 THR A 57 2.522 -9.532 3.721 1.00 13.54 H new ATOM 929 N SER A 58 -0.594 -13.582 3.203 1.00 4.34 N ATOM 930 CA SER A 58 -1.467 -14.660 2.698 1.00 15.12 C ATOM 931 C SER A 58 -2.948 -14.270 2.871 1.00 1.42 C ATOM 932 O SER A 58 -3.300 -13.474 3.751 1.00 22.43 O ATOM 933 CB SER A 58 -1.171 -15.989 3.446 1.00 51.00 C ATOM 934 OG SER A 58 0.172 -16.417 3.246 1.00 53.13 O ATOM 0 H SER A 58 -0.897 -13.212 4.104 1.00 4.34 H new ATOM 0 HA SER A 58 -1.264 -14.805 1.637 1.00 15.12 H new ATOM 0 HB2 SER A 58 -1.356 -15.856 4.512 1.00 51.00 H new ATOM 0 HB3 SER A 58 -1.855 -16.763 3.098 1.00 51.00 H new ATOM 0 HG SER A 58 0.324 -17.254 3.732 1.00 53.13 H new ATOM 940 N GLU A 59 -3.811 -14.852 2.027 1.00 64.33 N ATOM 941 CA GLU A 59 -5.266 -14.599 2.049 1.00 25.35 C ATOM 942 C GLU A 59 -5.970 -15.726 2.835 1.00 44.54 C ATOM 943 O GLU A 59 -6.065 -16.864 2.359 1.00 12.43 O ATOM 944 CB GLU A 59 -5.808 -14.516 0.598 1.00 20.43 C ATOM 945 CG GLU A 59 -7.316 -14.214 0.484 1.00 24.32 C ATOM 946 CD GLU A 59 -7.856 -14.386 -0.951 1.00 24.44 C ATOM 947 OE1 GLU A 59 -8.159 -15.540 -1.350 1.00 13.40 O ATOM 948 OE2 GLU A 59 -7.959 -13.386 -1.690 1.00 32.24 O ATOM 0 H GLU A 59 -3.523 -15.514 1.306 1.00 64.33 H new ATOM 0 HA GLU A 59 -5.467 -13.649 2.544 1.00 25.35 H new ATOM 0 HB2 GLU A 59 -5.256 -13.743 0.063 1.00 20.43 H new ATOM 0 HB3 GLU A 59 -5.602 -15.461 0.094 1.00 20.43 H new ATOM 0 HG2 GLU A 59 -7.865 -14.874 1.155 1.00 24.32 H new ATOM 0 HG3 GLU A 59 -7.503 -13.193 0.817 1.00 24.32 H new ATOM 955 N VAL A 60 -6.434 -15.402 4.051 1.00 33.01 N ATOM 956 CA VAL A 60 -7.104 -16.362 4.955 1.00 1.03 C ATOM 957 C VAL A 60 -8.571 -15.940 5.173 1.00 10.41 C ATOM 958 O VAL A 60 -8.843 -14.946 5.852 1.00 34.30 O ATOM 959 CB VAL A 60 -6.342 -16.475 6.337 1.00 53.31 C ATOM 960 CG1 VAL A 60 -7.137 -17.308 7.381 1.00 32.25 C ATOM 961 CG2 VAL A 60 -4.928 -17.072 6.126 1.00 51.34 C ATOM 0 H VAL A 60 -6.357 -14.463 4.441 1.00 33.01 H new ATOM 0 HA VAL A 60 -7.085 -17.347 4.488 1.00 1.03 H new ATOM 0 HB VAL A 60 -6.247 -15.466 6.738 1.00 53.31 H new ATOM 0 HG11 VAL A 60 -6.573 -17.357 8.313 1.00 32.25 H new ATOM 0 HG12 VAL A 60 -8.102 -16.835 7.565 1.00 32.25 H new ATOM 0 HG13 VAL A 60 -7.294 -18.317 6.998 1.00 32.25 H new ATOM 0 HG21 VAL A 60 -4.416 -17.143 7.086 1.00 51.34 H new ATOM 0 HG22 VAL A 60 -5.014 -18.066 5.686 1.00 51.34 H new ATOM 0 HG23 VAL A 60 -4.357 -16.428 5.458 1.00 51.34 H new ATOM 971 N GLU A 61 -9.497 -16.724 4.581 1.00 65.42 N ATOM 972 CA GLU A 61 -10.967 -16.561 4.730 1.00 4.11 C ATOM 973 C GLU A 61 -11.465 -15.120 4.381 1.00 10.34 C ATOM 974 O GLU A 61 -12.453 -14.630 4.948 1.00 25.15 O ATOM 975 CB GLU A 61 -11.377 -16.991 6.173 1.00 20.54 C ATOM 976 CG GLU A 61 -10.788 -18.350 6.624 1.00 22.44 C ATOM 977 CD GLU A 61 -11.278 -18.794 8.011 1.00 41.34 C ATOM 978 OE1 GLU A 61 -12.450 -19.215 8.131 1.00 71.14 O ATOM 979 OE2 GLU A 61 -10.499 -18.721 8.991 1.00 53.31 O ATOM 0 H GLU A 61 -9.244 -17.504 3.974 1.00 65.42 H new ATOM 0 HA GLU A 61 -11.459 -17.208 4.004 1.00 4.11 H new ATOM 0 HB2 GLU A 61 -11.058 -16.219 6.874 1.00 20.54 H new ATOM 0 HB3 GLU A 61 -12.464 -17.043 6.229 1.00 20.54 H new ATOM 0 HG2 GLU A 61 -11.051 -19.113 5.892 1.00 22.44 H new ATOM 0 HG3 GLU A 61 -9.700 -18.281 6.635 1.00 22.44 H new ATOM 986 N GLY A 62 -10.776 -14.467 3.416 1.00 63.45 N ATOM 987 CA GLY A 62 -11.065 -13.069 3.018 1.00 53.42 C ATOM 988 C GLY A 62 -10.187 -12.016 3.725 1.00 71.12 C ATOM 989 O GLY A 62 -9.979 -10.914 3.198 1.00 74.14 O ATOM 0 H GLY A 62 -10.009 -14.891 2.894 1.00 63.45 H new ATOM 0 HA2 GLY A 62 -10.930 -12.974 1.941 1.00 53.42 H new ATOM 0 HA3 GLY A 62 -12.112 -12.852 3.228 1.00 53.42 H new ATOM 993 N GLU A 63 -9.689 -12.361 4.924 1.00 43.22 N ATOM 994 CA GLU A 63 -8.806 -11.493 5.745 1.00 1.42 C ATOM 995 C GLU A 63 -7.348 -11.482 5.206 1.00 13.01 C ATOM 996 O GLU A 63 -6.840 -12.509 4.735 1.00 1.34 O ATOM 997 CB GLU A 63 -8.828 -11.985 7.236 1.00 62.43 C ATOM 998 CG GLU A 63 -7.810 -11.305 8.203 1.00 0.15 C ATOM 999 CD GLU A 63 -8.121 -9.829 8.558 1.00 32.43 C ATOM 1000 OE1 GLU A 63 -8.170 -8.978 7.646 1.00 65.21 O ATOM 1001 OE2 GLU A 63 -8.292 -9.511 9.758 1.00 35.24 O ATOM 0 H GLU A 63 -9.887 -13.261 5.362 1.00 43.22 H new ATOM 0 HA GLU A 63 -9.184 -10.472 5.687 1.00 1.42 H new ATOM 0 HB2 GLU A 63 -9.832 -11.831 7.632 1.00 62.43 H new ATOM 0 HB3 GLU A 63 -8.643 -13.059 7.245 1.00 62.43 H new ATOM 0 HG2 GLU A 63 -7.769 -11.883 9.126 1.00 0.15 H new ATOM 0 HG3 GLU A 63 -6.818 -11.352 7.753 1.00 0.15 H new ATOM 1008 N ILE A 64 -6.687 -10.308 5.276 1.00 44.23 N ATOM 1009 CA ILE A 64 -5.241 -10.192 5.012 1.00 34.24 C ATOM 1010 C ILE A 64 -4.454 -10.638 6.271 1.00 22.02 C ATOM 1011 O ILE A 64 -4.369 -9.901 7.266 1.00 62.44 O ATOM 1012 CB ILE A 64 -4.820 -8.726 4.605 1.00 4.11 C ATOM 1013 CG1 ILE A 64 -5.586 -8.258 3.323 1.00 25.14 C ATOM 1014 CG2 ILE A 64 -3.282 -8.607 4.409 1.00 2.14 C ATOM 1015 CD1 ILE A 64 -5.304 -6.817 2.897 1.00 1.53 C ATOM 0 H ILE A 64 -7.136 -9.424 5.515 1.00 44.23 H new ATOM 0 HA ILE A 64 -5.003 -10.839 4.168 1.00 34.24 H new ATOM 0 HB ILE A 64 -5.098 -8.065 5.426 1.00 4.11 H new ATOM 0 HG12 ILE A 64 -5.327 -8.923 2.499 1.00 25.14 H new ATOM 0 HG13 ILE A 64 -6.657 -8.368 3.496 1.00 25.14 H new ATOM 0 HG21 ILE A 64 -3.029 -7.584 4.129 1.00 2.14 H new ATOM 0 HG22 ILE A 64 -2.776 -8.865 5.339 1.00 2.14 H new ATOM 0 HG23 ILE A 64 -2.962 -9.288 3.621 1.00 2.14 H new ATOM 0 HD11 ILE A 64 -5.879 -6.583 2.001 1.00 1.53 H new ATOM 0 HD12 ILE A 64 -5.591 -6.138 3.699 1.00 1.53 H new ATOM 0 HD13 ILE A 64 -4.241 -6.701 2.687 1.00 1.53 H new ATOM 1027 N PHE A 65 -3.942 -11.875 6.236 1.00 71.41 N ATOM 1028 CA PHE A 65 -3.011 -12.395 7.253 1.00 13.51 C ATOM 1029 C PHE A 65 -1.564 -12.062 6.844 1.00 3.15 C ATOM 1030 O PHE A 65 -1.222 -12.088 5.658 1.00 63.32 O ATOM 1031 CB PHE A 65 -3.192 -13.928 7.421 1.00 44.04 C ATOM 1032 CG PHE A 65 -2.243 -14.562 8.447 1.00 4.23 C ATOM 1033 CD1 PHE A 65 -2.451 -14.383 9.817 1.00 13.13 C ATOM 1034 CD2 PHE A 65 -1.128 -15.308 8.043 1.00 42.41 C ATOM 1035 CE1 PHE A 65 -1.585 -14.932 10.743 1.00 40.10 C ATOM 1036 CE2 PHE A 65 -0.261 -15.851 8.973 1.00 22.23 C ATOM 1037 CZ PHE A 65 -0.489 -15.664 10.321 1.00 12.05 C ATOM 0 H PHE A 65 -4.161 -12.547 5.501 1.00 71.41 H new ATOM 0 HA PHE A 65 -3.227 -11.922 8.211 1.00 13.51 H new ATOM 0 HB2 PHE A 65 -4.221 -14.131 7.719 1.00 44.04 H new ATOM 0 HB3 PHE A 65 -3.039 -14.409 6.455 1.00 44.04 H new ATOM 0 HD1 PHE A 65 -3.300 -13.808 10.157 1.00 13.13 H new ATOM 0 HD2 PHE A 65 -0.943 -15.461 6.990 1.00 42.41 H new ATOM 0 HE1 PHE A 65 -1.764 -14.790 11.799 1.00 40.10 H new ATOM 0 HE2 PHE A 65 0.595 -16.422 8.644 1.00 22.23 H new ATOM 0 HZ PHE A 65 0.188 -16.089 11.047 1.00 12.05 H new ATOM 1047 N VAL A 66 -0.727 -11.734 7.828 1.00 41.13 N ATOM 1048 CA VAL A 66 0.701 -11.440 7.607 1.00 42.44 C ATOM 1049 C VAL A 66 1.579 -12.052 8.732 1.00 60.32 C ATOM 1050 O VAL A 66 1.155 -12.147 9.882 1.00 62.14 O ATOM 1051 CB VAL A 66 0.925 -9.886 7.461 1.00 54.23 C ATOM 1052 CG1 VAL A 66 0.277 -9.103 8.621 1.00 75.22 C ATOM 1053 CG2 VAL A 66 2.423 -9.540 7.313 1.00 23.30 C ATOM 0 H VAL A 66 -1.014 -11.663 8.804 1.00 41.13 H new ATOM 0 HA VAL A 66 1.013 -11.908 6.673 1.00 42.44 H new ATOM 0 HB VAL A 66 0.426 -9.575 6.543 1.00 54.23 H new ATOM 0 HG11 VAL A 66 0.454 -8.036 8.483 1.00 75.22 H new ATOM 0 HG12 VAL A 66 -0.796 -9.294 8.634 1.00 75.22 H new ATOM 0 HG13 VAL A 66 0.715 -9.424 9.566 1.00 75.22 H new ATOM 0 HG21 VAL A 66 2.539 -8.461 7.215 1.00 23.30 H new ATOM 0 HG22 VAL A 66 2.965 -9.885 8.194 1.00 23.30 H new ATOM 0 HG23 VAL A 66 2.824 -10.030 6.426 1.00 23.30 H new ATOM 1063 N LYS A 67 2.801 -12.479 8.371 1.00 1.35 N ATOM 1064 CA LYS A 67 3.799 -13.015 9.322 1.00 44.45 C ATOM 1065 C LYS A 67 5.208 -12.490 8.949 1.00 32.24 C ATOM 1066 O LYS A 67 5.347 -11.790 7.956 1.00 1.41 O ATOM 1067 CB LYS A 67 3.758 -14.564 9.314 1.00 31.51 C ATOM 1068 CG LYS A 67 4.329 -15.221 8.047 1.00 13.22 C ATOM 1069 CD LYS A 67 4.319 -16.765 8.119 1.00 32.34 C ATOM 1070 CE LYS A 67 5.265 -17.398 7.090 1.00 42.21 C ATOM 1071 NZ LYS A 67 6.683 -17.014 7.342 1.00 44.04 N ATOM 0 H LYS A 67 3.130 -12.463 7.405 1.00 1.35 H new ATOM 0 HA LYS A 67 3.563 -12.676 10.331 1.00 44.45 H new ATOM 0 HB2 LYS A 67 4.312 -14.932 10.177 1.00 31.51 H new ATOM 0 HB3 LYS A 67 2.724 -14.886 9.438 1.00 31.51 H new ATOM 0 HG2 LYS A 67 3.749 -14.898 7.182 1.00 13.22 H new ATOM 0 HG3 LYS A 67 5.351 -14.875 7.893 1.00 13.22 H new ATOM 0 HD2 LYS A 67 4.609 -17.082 9.121 1.00 32.34 H new ATOM 0 HD3 LYS A 67 3.305 -17.129 7.950 1.00 32.34 H new ATOM 0 HE2 LYS A 67 5.169 -18.483 7.126 1.00 42.21 H new ATOM 0 HE3 LYS A 67 4.975 -17.085 6.087 1.00 42.21 H new ATOM 0 HZ1 LYS A 67 7.315 -17.722 6.917 1.00 44.04 H new ATOM 0 HZ2 LYS A 67 6.871 -16.083 6.918 1.00 44.04 H new ATOM 0 HZ3 LYS A 67 6.853 -16.969 8.367 1.00 44.04 H new ATOM 1085 N LEU A 68 6.255 -12.844 9.720 1.00 15.11 N ATOM 1086 CA LEU A 68 7.631 -12.329 9.470 1.00 42.24 C ATOM 1087 C LEU A 68 8.474 -13.222 8.520 1.00 61.55 C ATOM 1088 O LEU A 68 8.104 -14.352 8.166 1.00 41.14 O ATOM 1089 CB LEU A 68 8.391 -12.097 10.811 1.00 2.52 C ATOM 1090 CG LEU A 68 7.902 -10.889 11.672 1.00 71.33 C ATOM 1091 CD1 LEU A 68 8.806 -10.674 12.901 1.00 23.12 C ATOM 1092 CD2 LEU A 68 7.801 -9.599 10.830 1.00 12.23 C ATOM 0 H LEU A 68 6.184 -13.478 10.516 1.00 15.11 H new ATOM 0 HA LEU A 68 7.499 -11.377 8.957 1.00 42.24 H new ATOM 0 HB2 LEU A 68 8.312 -13.003 11.412 1.00 2.52 H new ATOM 0 HB3 LEU A 68 9.448 -11.954 10.587 1.00 2.52 H new ATOM 0 HG LEU A 68 6.901 -11.131 12.031 1.00 71.33 H new ATOM 0 HD11 LEU A 68 8.439 -9.826 13.479 1.00 23.12 H new ATOM 0 HD12 LEU A 68 8.794 -11.569 13.523 1.00 23.12 H new ATOM 0 HD13 LEU A 68 9.826 -10.474 12.572 1.00 23.12 H new ATOM 0 HD21 LEU A 68 7.458 -8.779 11.461 1.00 12.23 H new ATOM 0 HD22 LEU A 68 8.781 -9.355 10.419 1.00 12.23 H new ATOM 0 HD23 LEU A 68 7.093 -9.751 10.015 1.00 12.23 H new ATOM 1104 N VAL A 69 9.618 -12.642 8.107 1.00 13.33 N ATOM 1105 CA VAL A 69 10.658 -13.293 7.279 1.00 42.14 C ATOM 1106 C VAL A 69 11.946 -13.542 8.106 1.00 15.24 C ATOM 1107 O VAL A 69 12.402 -12.662 8.849 1.00 60.32 O ATOM 1108 CB VAL A 69 10.984 -12.391 6.016 1.00 34.42 C ATOM 1109 CG1 VAL A 69 12.314 -12.763 5.320 1.00 11.40 C ATOM 1110 CG2 VAL A 69 9.821 -12.441 5.003 1.00 73.24 C ATOM 0 H VAL A 69 9.853 -11.679 8.346 1.00 13.33 H new ATOM 0 HA VAL A 69 10.279 -14.258 6.942 1.00 42.14 H new ATOM 0 HB VAL A 69 11.104 -11.374 6.391 1.00 34.42 H new ATOM 0 HG11 VAL A 69 12.473 -12.106 4.465 1.00 11.40 H new ATOM 0 HG12 VAL A 69 13.138 -12.648 6.024 1.00 11.40 H new ATOM 0 HG13 VAL A 69 12.269 -13.797 4.979 1.00 11.40 H new ATOM 0 HG21 VAL A 69 10.061 -11.817 4.142 1.00 73.24 H new ATOM 0 HG22 VAL A 69 9.669 -13.469 4.674 1.00 73.24 H new ATOM 0 HG23 VAL A 69 8.911 -12.073 5.476 1.00 73.24 H new ATOM 1302 N MET B 3 -0.520 -14.463 -4.870 1.00 62.23 N ATOM 1303 CA MET B 3 0.406 -13.902 -3.850 1.00 21.21 C ATOM 1304 C MET B 3 0.207 -12.382 -3.648 1.00 35.14 C ATOM 1305 O MET B 3 0.313 -11.608 -4.604 1.00 0.42 O ATOM 1306 CB MET B 3 1.888 -14.190 -4.228 1.00 4.45 C ATOM 1307 CG MET B 3 2.898 -13.924 -3.098 1.00 11.01 C ATOM 1308 SD MET B 3 2.541 -14.876 -1.603 1.00 2.02 S ATOM 1309 CE MET B 3 3.845 -14.326 -0.491 1.00 2.25 C ATOM 0 HA MET B 3 0.169 -14.398 -2.909 1.00 21.21 H new ATOM 0 HB2 MET B 3 1.975 -15.231 -4.538 1.00 4.45 H new ATOM 0 HB3 MET B 3 2.156 -13.578 -5.089 1.00 4.45 H new ATOM 0 HG2 MET B 3 3.901 -14.168 -3.448 1.00 11.01 H new ATOM 0 HG3 MET B 3 2.895 -12.861 -2.856 1.00 11.01 H new ATOM 0 HE1 MET B 3 3.543 -14.505 0.541 1.00 2.25 H new ATOM 0 HE2 MET B 3 4.761 -14.878 -0.702 1.00 2.25 H new ATOM 0 HE3 MET B 3 4.022 -13.260 -0.637 1.00 2.25 H new ATOM 1319 N LEU B 4 -0.059 -11.975 -2.389 1.00 33.21 N ATOM 1320 CA LEU B 4 -0.353 -10.565 -2.034 1.00 23.44 C ATOM 1321 C LEU B 4 0.883 -9.645 -2.268 1.00 25.12 C ATOM 1322 O LEU B 4 0.744 -8.422 -2.393 1.00 15.44 O ATOM 1323 CB LEU B 4 -0.896 -10.456 -0.575 1.00 72.53 C ATOM 1324 CG LEU B 4 -2.347 -11.006 -0.297 1.00 33.05 C ATOM 1325 CD1 LEU B 4 -2.467 -12.528 -0.542 1.00 54.34 C ATOM 1326 CD2 LEU B 4 -2.811 -10.645 1.137 1.00 13.13 C ATOM 0 H LEU B 4 -0.077 -12.610 -1.591 1.00 33.21 H new ATOM 0 HA LEU B 4 -1.139 -10.210 -2.701 1.00 23.44 H new ATOM 0 HB2 LEU B 4 -0.204 -10.984 0.082 1.00 72.53 H new ATOM 0 HB3 LEU B 4 -0.873 -9.406 -0.285 1.00 72.53 H new ATOM 0 HG LEU B 4 -3.007 -10.517 -1.014 1.00 33.05 H new ATOM 0 HD11 LEU B 4 -3.487 -12.851 -0.335 1.00 54.34 H new ATOM 0 HD12 LEU B 4 -2.220 -12.750 -1.580 1.00 54.34 H new ATOM 0 HD13 LEU B 4 -1.778 -13.058 0.116 1.00 54.34 H new ATOM 0 HD21 LEU B 4 -3.815 -11.036 1.304 1.00 13.13 H new ATOM 0 HD22 LEU B 4 -2.126 -11.084 1.862 1.00 13.13 H new ATOM 0 HD23 LEU B 4 -2.819 -9.561 1.255 1.00 13.13 H new ATOM 1338 N LYS B 5 2.084 -10.264 -2.320 1.00 73.44 N ATOM 1339 CA LYS B 5 3.330 -9.616 -2.798 1.00 13.42 C ATOM 1340 C LYS B 5 3.219 -9.185 -4.289 1.00 72.14 C ATOM 1341 O LYS B 5 3.407 -8.009 -4.627 1.00 5.10 O ATOM 1342 CB LYS B 5 4.523 -10.609 -2.634 1.00 61.11 C ATOM 1343 CG LYS B 5 5.893 -10.107 -3.161 1.00 33.43 C ATOM 1344 CD LYS B 5 6.525 -8.999 -2.288 1.00 51.22 C ATOM 1345 CE LYS B 5 7.763 -8.366 -2.952 1.00 33.43 C ATOM 1346 NZ LYS B 5 8.748 -9.370 -3.428 1.00 21.31 N ATOM 0 H LYS B 5 2.219 -11.233 -2.030 1.00 73.44 H new ATOM 0 HA LYS B 5 3.495 -8.720 -2.200 1.00 13.42 H new ATOM 0 HB2 LYS B 5 4.628 -10.851 -1.576 1.00 61.11 H new ATOM 0 HB3 LYS B 5 4.274 -11.536 -3.150 1.00 61.11 H new ATOM 0 HG2 LYS B 5 6.582 -10.950 -3.218 1.00 33.43 H new ATOM 0 HG3 LYS B 5 5.766 -9.730 -4.176 1.00 33.43 H new ATOM 0 HD2 LYS B 5 5.783 -8.224 -2.095 1.00 51.22 H new ATOM 0 HD3 LYS B 5 6.808 -9.418 -1.322 1.00 51.22 H new ATOM 0 HE2 LYS B 5 7.442 -7.753 -3.794 1.00 33.43 H new ATOM 0 HE3 LYS B 5 8.249 -7.699 -2.239 1.00 33.43 H new ATOM 0 HZ1 LYS B 5 9.643 -8.895 -3.660 1.00 21.31 H new ATOM 0 HZ2 LYS B 5 8.914 -10.075 -2.681 1.00 21.31 H new ATOM 0 HZ3 LYS B 5 8.378 -9.844 -4.276 1.00 21.31 H new ATOM 1360 N GLU B 6 2.900 -10.161 -5.164 1.00 62.34 N ATOM 1361 CA GLU B 6 2.987 -9.985 -6.633 1.00 54.44 C ATOM 1362 C GLU B 6 1.787 -9.202 -7.218 1.00 15.33 C ATOM 1363 O GLU B 6 1.959 -8.435 -8.179 1.00 14.23 O ATOM 1364 CB GLU B 6 3.142 -11.354 -7.341 1.00 35.34 C ATOM 1365 CG GLU B 6 3.453 -11.241 -8.850 1.00 73.31 C ATOM 1366 CD GLU B 6 3.812 -12.582 -9.505 1.00 72.21 C ATOM 1367 OE1 GLU B 6 4.963 -13.047 -9.324 1.00 14.03 O ATOM 1368 OE2 GLU B 6 2.962 -13.165 -10.217 1.00 21.14 O ATOM 0 H GLU B 6 2.578 -11.086 -4.878 1.00 62.34 H new ATOM 0 HA GLU B 6 3.876 -9.383 -6.822 1.00 54.44 H new ATOM 0 HB2 GLU B 6 3.940 -11.916 -6.856 1.00 35.34 H new ATOM 0 HB3 GLU B 6 2.224 -11.927 -7.210 1.00 35.34 H new ATOM 0 HG2 GLU B 6 2.588 -10.817 -9.360 1.00 73.31 H new ATOM 0 HG3 GLU B 6 4.279 -10.544 -8.991 1.00 73.31 H new ATOM 1375 N LYS B 7 0.570 -9.397 -6.652 1.00 13.50 N ATOM 1376 CA LYS B 7 -0.641 -8.671 -7.117 1.00 3.32 C ATOM 1377 C LYS B 7 -0.477 -7.145 -6.950 1.00 35.41 C ATOM 1378 O LYS B 7 -0.996 -6.387 -7.750 1.00 72.00 O ATOM 1379 CB LYS B 7 -1.942 -9.207 -6.433 1.00 50.31 C ATOM 1380 CG LYS B 7 -1.978 -9.190 -4.879 1.00 43.12 C ATOM 1381 CD LYS B 7 -2.446 -7.853 -4.227 1.00 64.31 C ATOM 1382 CE LYS B 7 -3.982 -7.664 -4.183 1.00 71.54 C ATOM 1383 NZ LYS B 7 -4.608 -7.562 -5.526 1.00 52.22 N ATOM 0 H LYS B 7 0.400 -10.043 -5.881 1.00 13.50 H new ATOM 0 HA LYS B 7 -0.752 -8.867 -8.184 1.00 3.32 H new ATOM 0 HB2 LYS B 7 -2.784 -8.619 -6.798 1.00 50.31 H new ATOM 0 HB3 LYS B 7 -2.102 -10.233 -6.765 1.00 50.31 H new ATOM 0 HG2 LYS B 7 -2.639 -9.988 -4.541 1.00 43.12 H new ATOM 0 HG3 LYS B 7 -0.980 -9.424 -4.508 1.00 43.12 H new ATOM 0 HD2 LYS B 7 -2.057 -7.804 -3.210 1.00 64.31 H new ATOM 0 HD3 LYS B 7 -2.006 -7.021 -4.777 1.00 64.31 H new ATOM 0 HE2 LYS B 7 -4.427 -8.502 -3.647 1.00 71.54 H new ATOM 0 HE3 LYS B 7 -4.213 -6.763 -3.615 1.00 71.54 H new ATOM 0 HZ1 LYS B 7 -5.396 -6.884 -5.491 1.00 52.22 H new ATOM 0 HZ2 LYS B 7 -3.901 -7.235 -6.215 1.00 52.22 H new ATOM 0 HZ3 LYS B 7 -4.966 -8.495 -5.814 1.00 52.22 H new ATOM 1397 N ALA B 8 0.282 -6.720 -5.916 1.00 50.24 N ATOM 1398 CA ALA B 8 0.657 -5.297 -5.711 1.00 64.11 C ATOM 1399 C ALA B 8 1.447 -4.734 -6.924 1.00 45.32 C ATOM 1400 O ALA B 8 1.239 -3.591 -7.335 1.00 34.53 O ATOM 1401 CB ALA B 8 1.472 -5.147 -4.418 1.00 1.21 C ATOM 0 H ALA B 8 0.652 -7.347 -5.202 1.00 50.24 H new ATOM 0 HA ALA B 8 -0.261 -4.716 -5.621 1.00 64.11 H new ATOM 0 HB1 ALA B 8 1.742 -4.100 -4.277 1.00 1.21 H new ATOM 0 HB2 ALA B 8 0.876 -5.485 -3.571 1.00 1.21 H new ATOM 0 HB3 ALA B 8 2.378 -5.749 -4.487 1.00 1.21 H new ATOM 1407 N GLY B 9 2.334 -5.578 -7.490 1.00 14.12 N ATOM 1408 CA GLY B 9 3.100 -5.242 -8.703 1.00 73.14 C ATOM 1409 C GLY B 9 2.263 -5.226 -9.999 1.00 3.22 C ATOM 1410 O GLY B 9 2.562 -4.463 -10.928 1.00 24.14 O ATOM 0 H GLY B 9 2.537 -6.506 -7.120 1.00 14.12 H new ATOM 0 HA2 GLY B 9 3.559 -4.263 -8.569 1.00 73.14 H new ATOM 0 HA3 GLY B 9 3.911 -5.961 -8.817 1.00 73.14 H new ATOM 1414 N ALA B 10 1.230 -6.090 -10.066 1.00 42.13 N ATOM 1415 CA ALA B 10 0.287 -6.145 -11.216 1.00 61.13 C ATOM 1416 C ALA B 10 -0.655 -4.908 -11.231 1.00 50.03 C ATOM 1417 O ALA B 10 -0.928 -4.322 -12.287 1.00 24.41 O ATOM 1418 CB ALA B 10 -0.525 -7.451 -11.168 1.00 21.14 C ATOM 0 H ALA B 10 1.021 -6.768 -9.333 1.00 42.13 H new ATOM 0 HA ALA B 10 0.868 -6.126 -12.138 1.00 61.13 H new ATOM 0 HB1 ALA B 10 -1.213 -7.483 -12.013 1.00 21.14 H new ATOM 0 HB2 ALA B 10 0.153 -8.303 -11.219 1.00 21.14 H new ATOM 0 HB3 ALA B 10 -1.091 -7.493 -10.238 1.00 21.14 H new ATOM 1424 N LEU B 11 -1.139 -4.532 -10.030 1.00 42.01 N ATOM 1425 CA LEU B 11 -1.922 -3.293 -9.794 1.00 13.12 C ATOM 1426 C LEU B 11 -1.078 -2.050 -10.121 1.00 0.14 C ATOM 1427 O LEU B 11 -1.569 -1.089 -10.710 1.00 3.35 O ATOM 1428 CB LEU B 11 -2.384 -3.251 -8.316 1.00 43.02 C ATOM 1429 CG LEU B 11 -3.335 -4.408 -7.877 1.00 31.24 C ATOM 1430 CD1 LEU B 11 -3.407 -4.515 -6.344 1.00 3.11 C ATOM 1431 CD2 LEU B 11 -4.737 -4.255 -8.508 1.00 72.03 C ATOM 0 H LEU B 11 -0.998 -5.084 -9.184 1.00 42.01 H new ATOM 0 HA LEU B 11 -2.795 -3.294 -10.447 1.00 13.12 H new ATOM 0 HB2 LEU B 11 -1.501 -3.267 -7.677 1.00 43.02 H new ATOM 0 HB3 LEU B 11 -2.889 -2.302 -8.138 1.00 43.02 H new ATOM 0 HG LEU B 11 -2.917 -5.343 -8.249 1.00 31.24 H new ATOM 0 HD11 LEU B 11 -4.077 -5.329 -6.067 1.00 3.11 H new ATOM 0 HD12 LEU B 11 -2.412 -4.712 -5.946 1.00 3.11 H new ATOM 0 HD13 LEU B 11 -3.784 -3.579 -5.931 1.00 3.11 H new ATOM 0 HD21 LEU B 11 -5.374 -5.077 -8.182 1.00 72.03 H new ATOM 0 HD22 LEU B 11 -5.176 -3.308 -8.193 1.00 72.03 H new ATOM 0 HD23 LEU B 11 -4.651 -4.272 -9.594 1.00 72.03 H new ATOM 1443 N ALA B 12 0.207 -2.117 -9.739 1.00 40.04 N ATOM 1444 CA ALA B 12 1.211 -1.074 -10.024 1.00 22.42 C ATOM 1445 C ALA B 12 1.374 -0.817 -11.535 1.00 1.23 C ATOM 1446 O ALA B 12 1.546 0.328 -11.963 1.00 50.23 O ATOM 1447 CB ALA B 12 2.552 -1.484 -9.417 1.00 11.32 C ATOM 0 H ALA B 12 0.585 -2.907 -9.216 1.00 40.04 H new ATOM 0 HA ALA B 12 0.862 -0.144 -9.575 1.00 22.42 H new ATOM 0 HB1 ALA B 12 3.296 -0.715 -9.626 1.00 11.32 H new ATOM 0 HB2 ALA B 12 2.443 -1.600 -8.339 1.00 11.32 H new ATOM 0 HB3 ALA B 12 2.875 -2.429 -9.853 1.00 11.32 H new ATOM 1453 N GLY B 13 1.323 -1.908 -12.324 1.00 63.41 N ATOM 1454 CA GLY B 13 1.357 -1.825 -13.785 1.00 24.13 C ATOM 1455 C GLY B 13 0.178 -1.032 -14.369 1.00 73.20 C ATOM 1456 O GLY B 13 0.370 -0.192 -15.245 1.00 40.13 O ATOM 0 H GLY B 13 1.258 -2.860 -11.964 1.00 63.41 H new ATOM 0 HA2 GLY B 13 2.291 -1.357 -14.095 1.00 24.13 H new ATOM 0 HA3 GLY B 13 1.352 -2.833 -14.201 1.00 24.13 H new ATOM 1460 N GLN B 14 -1.039 -1.295 -13.842 1.00 71.01 N ATOM 1461 CA GLN B 14 -2.281 -0.585 -14.252 1.00 74.02 C ATOM 1462 C GLN B 14 -2.203 0.931 -13.929 1.00 74.44 C ATOM 1463 O GLN B 14 -2.518 1.777 -14.772 1.00 34.13 O ATOM 1464 CB GLN B 14 -3.516 -1.205 -13.536 1.00 14.02 C ATOM 1465 CG GLN B 14 -3.739 -2.704 -13.809 1.00 41.31 C ATOM 1466 CD GLN B 14 -4.973 -3.265 -13.095 1.00 21.22 C ATOM 1467 OE1 GLN B 14 -6.080 -3.250 -13.626 1.00 32.22 O ATOM 1468 NE2 GLN B 14 -4.794 -3.758 -11.884 1.00 43.24 N ATOM 0 H GLN B 14 -1.192 -2.002 -13.123 1.00 71.01 H new ATOM 0 HA GLN B 14 -2.385 -0.701 -15.331 1.00 74.02 H new ATOM 0 HB2 GLN B 14 -3.406 -1.059 -12.461 1.00 14.02 H new ATOM 0 HB3 GLN B 14 -4.408 -0.658 -13.842 1.00 14.02 H new ATOM 0 HG2 GLN B 14 -3.845 -2.860 -14.883 1.00 41.31 H new ATOM 0 HG3 GLN B 14 -2.858 -3.261 -13.491 1.00 41.31 H new ATOM 0 HE21 GLN B 14 -3.864 -3.758 -11.466 1.00 43.24 H new ATOM 0 HE22 GLN B 14 -5.586 -4.139 -11.366 1.00 43.24 H new ATOM 1477 N ILE B 15 -1.772 1.244 -12.692 1.00 2.34 N ATOM 1478 CA ILE B 15 -1.685 2.635 -12.174 1.00 3.12 C ATOM 1479 C ILE B 15 -0.591 3.450 -12.908 1.00 21.50 C ATOM 1480 O ILE B 15 -0.769 4.643 -13.175 1.00 31.25 O ATOM 1481 CB ILE B 15 -1.444 2.626 -10.615 1.00 73.11 C ATOM 1482 CG1 ILE B 15 -2.599 1.848 -9.903 1.00 31.43 C ATOM 1483 CG2 ILE B 15 -1.311 4.062 -10.036 1.00 52.01 C ATOM 1484 CD1 ILE B 15 -2.419 1.656 -8.411 1.00 5.43 C ATOM 0 H ILE B 15 -1.472 0.541 -12.017 1.00 2.34 H new ATOM 0 HA ILE B 15 -2.637 3.129 -12.371 1.00 3.12 H new ATOM 0 HB ILE B 15 -0.498 2.118 -10.427 1.00 73.11 H new ATOM 0 HG12 ILE B 15 -3.535 2.380 -10.075 1.00 31.43 H new ATOM 0 HG13 ILE B 15 -2.699 0.868 -10.370 1.00 31.43 H new ATOM 0 HG21 ILE B 15 -1.146 4.007 -8.960 1.00 52.01 H new ATOM 0 HG22 ILE B 15 -0.468 4.567 -10.507 1.00 52.01 H new ATOM 0 HG23 ILE B 15 -2.226 4.621 -10.235 1.00 52.01 H new ATOM 0 HD11 ILE B 15 -3.271 1.107 -8.010 1.00 5.43 H new ATOM 0 HD12 ILE B 15 -1.504 1.094 -8.224 1.00 5.43 H new ATOM 0 HD13 ILE B 15 -2.353 2.629 -7.924 1.00 5.43 H new ATOM 1496 N TRP B 16 0.520 2.781 -13.259 1.00 3.02 N ATOM 1497 CA TRP B 16 1.610 3.398 -14.047 1.00 42.00 C ATOM 1498 C TRP B 16 1.094 3.789 -15.455 1.00 74.32 C ATOM 1499 O TRP B 16 1.311 4.917 -15.909 1.00 22.34 O ATOM 1500 CB TRP B 16 2.825 2.435 -14.157 1.00 10.20 C ATOM 1501 CG TRP B 16 4.070 3.089 -14.723 1.00 63.11 C ATOM 1502 CD1 TRP B 16 5.081 3.671 -14.012 1.00 44.52 C ATOM 1503 CD2 TRP B 16 4.420 3.253 -16.110 1.00 1.41 C ATOM 1504 NE1 TRP B 16 6.035 4.161 -14.861 1.00 44.35 N ATOM 1505 CE2 TRP B 16 5.648 3.929 -16.153 1.00 40.30 C ATOM 1506 CE3 TRP B 16 3.813 2.889 -17.315 1.00 71.44 C ATOM 1507 CZ2 TRP B 16 6.280 4.252 -17.351 1.00 42.31 C ATOM 1508 CZ3 TRP B 16 4.431 3.213 -18.501 1.00 34.30 C ATOM 1509 CH2 TRP B 16 5.654 3.887 -18.515 1.00 72.24 C ATOM 0 H TRP B 16 0.691 1.807 -13.010 1.00 3.02 H new ATOM 0 HA TRP B 16 1.941 4.300 -13.533 1.00 42.00 H new ATOM 0 HB2 TRP B 16 3.052 2.036 -13.168 1.00 10.20 H new ATOM 0 HB3 TRP B 16 2.551 1.589 -14.787 1.00 10.20 H new ATOM 0 HD1 TRP B 16 5.121 3.735 -12.935 1.00 44.52 H new ATOM 0 HE1 TRP B 16 6.897 4.625 -14.576 1.00 44.35 H new ATOM 0 HE3 TRP B 16 2.871 2.360 -17.315 1.00 71.44 H new ATOM 0 HZ2 TRP B 16 7.227 4.770 -17.363 1.00 42.31 H new ATOM 0 HZ3 TRP B 16 3.963 2.942 -19.436 1.00 34.30 H new ATOM 0 HH2 TRP B 16 6.116 4.126 -19.462 1.00 72.24 H new ATOM 1520 N GLU B 17 0.410 2.833 -16.132 1.00 53.12 N ATOM 1521 CA GLU B 17 -0.208 3.070 -17.462 1.00 5.32 C ATOM 1522 C GLU B 17 -1.264 4.205 -17.410 1.00 54.52 C ATOM 1523 O GLU B 17 -1.433 4.946 -18.386 1.00 25.31 O ATOM 1524 CB GLU B 17 -0.871 1.780 -18.023 1.00 44.03 C ATOM 1525 CG GLU B 17 0.087 0.595 -18.298 1.00 61.01 C ATOM 1526 CD GLU B 17 1.183 0.878 -19.350 1.00 2.21 C ATOM 1527 OE1 GLU B 17 0.868 1.421 -20.434 1.00 5.34 O ATOM 1528 OE2 GLU B 17 2.364 0.534 -19.107 1.00 14.22 O ATOM 0 H GLU B 17 0.272 1.887 -15.777 1.00 53.12 H new ATOM 0 HA GLU B 17 0.601 3.371 -18.127 1.00 5.32 H new ATOM 0 HB2 GLU B 17 -1.634 1.450 -17.318 1.00 44.03 H new ATOM 0 HB3 GLU B 17 -1.383 2.032 -18.952 1.00 44.03 H new ATOM 0 HG2 GLU B 17 0.567 0.309 -17.362 1.00 61.01 H new ATOM 0 HG3 GLU B 17 -0.502 -0.261 -18.629 1.00 61.01 H new ATOM 1535 N ALA B 18 -1.967 4.316 -16.263 1.00 30.35 N ATOM 1536 CA ALA B 18 -2.991 5.364 -16.019 1.00 14.24 C ATOM 1537 C ALA B 18 -2.380 6.790 -16.005 1.00 12.42 C ATOM 1538 O ALA B 18 -2.990 7.744 -16.501 1.00 33.43 O ATOM 1539 CB ALA B 18 -3.714 5.083 -14.691 1.00 10.41 C ATOM 0 H ALA B 18 -1.843 3.681 -15.475 1.00 30.35 H new ATOM 0 HA ALA B 18 -3.704 5.328 -16.843 1.00 14.24 H new ATOM 0 HB1 ALA B 18 -4.464 5.854 -14.515 1.00 10.41 H new ATOM 0 HB2 ALA B 18 -4.199 4.108 -14.740 1.00 10.41 H new ATOM 0 HB3 ALA B 18 -2.991 5.088 -13.875 1.00 10.41 H new ATOM 1545 N LEU B 19 -1.179 6.914 -15.415 1.00 62.34 N ATOM 1546 CA LEU B 19 -0.415 8.190 -15.362 1.00 52.02 C ATOM 1547 C LEU B 19 0.465 8.392 -16.631 1.00 21.14 C ATOM 1548 O LEU B 19 0.952 9.505 -16.881 1.00 13.02 O ATOM 1549 CB LEU B 19 0.460 8.241 -14.069 1.00 30.21 C ATOM 1550 CG LEU B 19 -0.259 8.634 -12.732 1.00 25.35 C ATOM 1551 CD1 LEU B 19 -1.429 7.689 -12.385 1.00 54.15 C ATOM 1552 CD2 LEU B 19 0.756 8.706 -11.569 1.00 63.15 C ATOM 0 H LEU B 19 -0.703 6.136 -14.958 1.00 62.34 H new ATOM 0 HA LEU B 19 -1.135 9.008 -15.335 1.00 52.02 H new ATOM 0 HB2 LEU B 19 0.917 7.261 -13.931 1.00 30.21 H new ATOM 0 HB3 LEU B 19 1.271 8.950 -14.238 1.00 30.21 H new ATOM 0 HG LEU B 19 -0.692 9.623 -12.883 1.00 25.35 H new ATOM 0 HD11 LEU B 19 -1.890 8.008 -11.450 1.00 54.15 H new ATOM 0 HD12 LEU B 19 -2.170 7.719 -13.184 1.00 54.15 H new ATOM 0 HD13 LEU B 19 -1.055 6.671 -12.276 1.00 54.15 H new ATOM 0 HD21 LEU B 19 0.238 8.980 -10.650 1.00 63.15 H new ATOM 0 HD22 LEU B 19 1.232 7.734 -11.441 1.00 63.15 H new ATOM 0 HD23 LEU B 19 1.515 9.455 -11.794 1.00 63.15 H new ATOM 1564 N ASN B 20 0.656 7.323 -17.431 1.00 24.41 N ATOM 1565 CA ASN B 20 1.486 7.362 -18.657 1.00 71.32 C ATOM 1566 C ASN B 20 0.768 8.141 -19.794 1.00 42.12 C ATOM 1567 O ASN B 20 -0.402 7.879 -20.095 1.00 32.02 O ATOM 1568 CB ASN B 20 1.834 5.916 -19.104 1.00 51.42 C ATOM 1569 CG ASN B 20 2.726 5.844 -20.349 1.00 43.44 C ATOM 1570 OD1 ASN B 20 3.575 6.701 -20.576 1.00 11.21 O ATOM 1571 ND2 ASN B 20 2.538 4.824 -21.168 1.00 2.22 N ATOM 0 H ASN B 20 0.241 6.409 -17.248 1.00 24.41 H new ATOM 0 HA ASN B 20 2.412 7.891 -18.435 1.00 71.32 H new ATOM 0 HB2 ASN B 20 2.334 5.403 -18.282 1.00 51.42 H new ATOM 0 HB3 ASN B 20 0.908 5.375 -19.301 1.00 51.42 H new ATOM 0 HD21 ASN B 20 3.105 4.736 -22.011 1.00 2.22 H new ATOM 0 HD22 ASN B 20 1.826 4.125 -20.957 1.00 2.22 H new ATOM 1578 N GLY B 21 1.490 9.101 -20.406 1.00 72.14 N ATOM 1579 CA GLY B 21 0.941 9.958 -21.475 1.00 51.12 C ATOM 1580 C GLY B 21 0.130 11.168 -20.967 1.00 72.14 C ATOM 1581 O GLY B 21 -0.403 11.940 -21.772 1.00 42.42 O ATOM 0 H GLY B 21 2.463 9.303 -20.175 1.00 72.14 H new ATOM 0 HA2 GLY B 21 1.763 10.320 -22.092 1.00 51.12 H new ATOM 0 HA3 GLY B 21 0.303 9.352 -22.118 1.00 51.12 H new ATOM 1585 N THR B 22 0.042 11.332 -19.632 1.00 44.23 N ATOM 1586 CA THR B 22 -0.670 12.466 -18.983 1.00 13.10 C ATOM 1587 C THR B 22 0.279 13.220 -18.032 1.00 72.04 C ATOM 1588 O THR B 22 1.396 12.765 -17.751 1.00 4.24 O ATOM 1589 CB THR B 22 -1.932 11.989 -18.171 1.00 40.14 C ATOM 1590 OG1 THR B 22 -1.525 11.112 -17.113 1.00 50.33 O ATOM 1591 CG2 THR B 22 -2.968 11.268 -19.057 1.00 32.50 C ATOM 0 H THR B 22 0.462 10.683 -18.966 1.00 44.23 H new ATOM 0 HA THR B 22 -1.006 13.126 -19.782 1.00 13.10 H new ATOM 0 HB THR B 22 -2.408 12.882 -17.766 1.00 40.14 H new ATOM 0 HG1 THR B 22 -0.631 10.760 -17.306 1.00 50.33 H new ATOM 0 HG21 THR B 22 -3.817 10.960 -18.447 1.00 32.50 H new ATOM 0 HG22 THR B 22 -3.310 11.944 -19.841 1.00 32.50 H new ATOM 0 HG23 THR B 22 -2.510 10.389 -19.511 1.00 32.50 H new ATOM 1599 N GLU B 23 -0.184 14.388 -17.562 1.00 11.41 N ATOM 1600 CA GLU B 23 0.568 15.274 -16.637 1.00 33.11 C ATOM 1601 C GLU B 23 0.446 14.849 -15.144 1.00 32.22 C ATOM 1602 O GLU B 23 1.165 15.385 -14.294 1.00 43.55 O ATOM 1603 CB GLU B 23 0.108 16.758 -16.812 1.00 62.24 C ATOM 1604 CG GLU B 23 -1.348 17.091 -16.382 1.00 34.53 C ATOM 1605 CD GLU B 23 -2.446 16.435 -17.247 1.00 34.42 C ATOM 1606 OE1 GLU B 23 -2.723 16.940 -18.354 1.00 73.03 O ATOM 1607 OE2 GLU B 23 -3.007 15.392 -16.836 1.00 62.41 O ATOM 0 H GLU B 23 -1.102 14.756 -17.812 1.00 11.41 H new ATOM 0 HA GLU B 23 1.620 15.179 -16.905 1.00 33.11 H new ATOM 0 HB2 GLU B 23 0.785 17.394 -16.242 1.00 62.24 H new ATOM 0 HB3 GLU B 23 0.224 17.029 -17.861 1.00 62.24 H new ATOM 0 HG2 GLU B 23 -1.486 16.779 -15.347 1.00 34.53 H new ATOM 0 HG3 GLU B 23 -1.481 18.172 -16.410 1.00 34.53 H new ATOM 1614 N GLY B 24 -0.452 13.890 -14.833 1.00 21.45 N ATOM 1615 CA GLY B 24 -0.664 13.416 -13.443 1.00 13.02 C ATOM 1616 C GLY B 24 -2.115 13.573 -12.970 1.00 51.21 C ATOM 1617 O GLY B 24 -2.776 14.563 -13.297 1.00 43.24 O ATOM 0 H GLY B 24 -1.043 13.427 -15.524 1.00 21.45 H new ATOM 0 HA2 GLY B 24 -0.377 12.367 -13.375 1.00 13.02 H new ATOM 0 HA3 GLY B 24 -0.007 13.970 -12.772 1.00 13.02 H new ATOM 1621 N LEU B 25 -2.609 12.597 -12.172 1.00 65.25 N ATOM 1622 CA LEU B 25 -4.041 12.523 -11.765 1.00 25.32 C ATOM 1623 C LEU B 25 -4.200 12.409 -10.226 1.00 10.42 C ATOM 1624 O LEU B 25 -3.251 12.067 -9.512 1.00 52.24 O ATOM 1625 CB LEU B 25 -4.760 11.302 -12.436 1.00 61.13 C ATOM 1626 CG LEU B 25 -4.712 11.187 -14.006 1.00 71.40 C ATOM 1627 CD1 LEU B 25 -3.386 10.573 -14.503 1.00 1.15 C ATOM 1628 CD2 LEU B 25 -5.922 10.392 -14.559 1.00 23.14 C ATOM 0 H LEU B 25 -2.036 11.843 -11.793 1.00 65.25 H new ATOM 0 HA LEU B 25 -4.503 13.451 -12.101 1.00 25.32 H new ATOM 0 HB2 LEU B 25 -4.328 10.391 -12.021 1.00 61.13 H new ATOM 0 HB3 LEU B 25 -5.807 11.324 -12.135 1.00 61.13 H new ATOM 0 HG LEU B 25 -4.770 12.205 -14.392 1.00 71.40 H new ATOM 0 HD11 LEU B 25 -3.398 10.513 -15.591 1.00 1.15 H new ATOM 0 HD12 LEU B 25 -2.553 11.199 -14.183 1.00 1.15 H new ATOM 0 HD13 LEU B 25 -3.269 9.573 -14.086 1.00 1.15 H new ATOM 0 HD21 LEU B 25 -5.854 10.334 -15.645 1.00 23.14 H new ATOM 0 HD22 LEU B 25 -5.918 9.385 -14.141 1.00 23.14 H new ATOM 0 HD23 LEU B 25 -6.847 10.897 -14.280 1.00 23.14 H new ATOM 1640 N THR B 26 -5.428 12.698 -9.734 1.00 1.23 N ATOM 1641 CA THR B 26 -5.837 12.426 -8.327 1.00 10.30 C ATOM 1642 C THR B 26 -6.402 10.988 -8.201 1.00 3.11 C ATOM 1643 O THR B 26 -6.782 10.390 -9.210 1.00 70.40 O ATOM 1644 CB THR B 26 -6.914 13.441 -7.815 1.00 43.33 C ATOM 1645 OG1 THR B 26 -8.122 13.319 -8.581 1.00 44.52 O ATOM 1646 CG2 THR B 26 -6.411 14.891 -7.879 1.00 70.13 C ATOM 0 H THR B 26 -6.164 13.125 -10.296 1.00 1.23 H new ATOM 0 HA THR B 26 -4.944 12.537 -7.712 1.00 10.30 H new ATOM 0 HB THR B 26 -7.115 13.197 -6.772 1.00 43.33 H new ATOM 0 HG1 THR B 26 -8.840 12.977 -8.008 1.00 44.52 H new ATOM 0 HG21 THR B 26 -7.189 15.562 -7.515 1.00 70.13 H new ATOM 0 HG22 THR B 26 -5.522 14.995 -7.258 1.00 70.13 H new ATOM 0 HG23 THR B 26 -6.165 15.146 -8.910 1.00 70.13 H new ATOM 1654 N GLN B 27 -6.484 10.466 -6.960 1.00 3.21 N ATOM 1655 CA GLN B 27 -6.786 9.030 -6.687 1.00 74.05 C ATOM 1656 C GLN B 27 -8.054 8.483 -7.415 1.00 30.00 C ATOM 1657 O GLN B 27 -8.014 7.385 -7.977 1.00 51.30 O ATOM 1658 CB GLN B 27 -6.875 8.781 -5.155 1.00 3.24 C ATOM 1659 CG GLN B 27 -7.968 9.575 -4.414 1.00 34.33 C ATOM 1660 CD GLN B 27 -8.040 9.294 -2.909 1.00 0.52 C ATOM 1661 OE1 GLN B 27 -8.370 10.175 -2.126 1.00 21.03 O ATOM 1662 NE2 GLN B 27 -7.772 8.068 -2.493 1.00 42.21 N ATOM 0 H GLN B 27 -6.344 11.020 -6.115 1.00 3.21 H new ATOM 0 HA GLN B 27 -5.953 8.466 -7.107 1.00 74.05 H new ATOM 0 HB2 GLN B 27 -7.047 7.718 -4.987 1.00 3.24 H new ATOM 0 HB3 GLN B 27 -5.910 9.022 -4.709 1.00 3.24 H new ATOM 0 HG2 GLN B 27 -7.793 10.640 -4.565 1.00 34.33 H new ATOM 0 HG3 GLN B 27 -8.935 9.345 -4.862 1.00 34.33 H new ATOM 0 HE21 GLN B 27 -7.499 7.350 -3.164 1.00 42.21 H new ATOM 0 HE22 GLN B 27 -7.838 7.840 -1.501 1.00 42.21 H new ATOM 1671 N LYS B 28 -9.163 9.249 -7.399 1.00 0.23 N ATOM 1672 CA LYS B 28 -10.433 8.861 -8.081 1.00 10.41 C ATOM 1673 C LYS B 28 -10.279 8.816 -9.623 1.00 44.24 C ATOM 1674 O LYS B 28 -10.830 7.928 -10.287 1.00 63.42 O ATOM 1675 CB LYS B 28 -11.578 9.830 -7.694 1.00 62.41 C ATOM 1676 CG LYS B 28 -11.950 9.824 -6.196 1.00 33.15 C ATOM 1677 CD LYS B 28 -13.160 10.737 -5.854 1.00 45.12 C ATOM 1678 CE LYS B 28 -14.530 10.202 -6.355 1.00 12.12 C ATOM 1679 NZ LYS B 28 -14.686 10.248 -7.835 1.00 3.54 N ATOM 0 H LYS B 28 -9.213 10.148 -6.920 1.00 0.23 H new ATOM 0 HA LYS B 28 -10.681 7.855 -7.743 1.00 10.41 H new ATOM 0 HB2 LYS B 28 -11.291 10.842 -7.979 1.00 62.41 H new ATOM 0 HB3 LYS B 28 -12.464 9.574 -8.275 1.00 62.41 H new ATOM 0 HG2 LYS B 28 -12.178 8.803 -5.890 1.00 33.15 H new ATOM 0 HG3 LYS B 28 -11.086 10.146 -5.614 1.00 33.15 H new ATOM 0 HD2 LYS B 28 -13.208 10.866 -4.773 1.00 45.12 H new ATOM 0 HD3 LYS B 28 -12.989 11.723 -6.286 1.00 45.12 H new ATOM 0 HE2 LYS B 28 -14.654 9.173 -6.017 1.00 12.12 H new ATOM 0 HE3 LYS B 28 -15.328 10.786 -5.896 1.00 12.12 H new ATOM 0 HZ1 LYS B 28 -15.648 10.562 -8.073 1.00 3.54 H new ATOM 0 HZ2 LYS B 28 -13.995 10.914 -8.236 1.00 3.54 H new ATOM 0 HZ3 LYS B 28 -14.524 9.300 -8.231 1.00 3.54 H new ATOM 1693 N GLN B 29 -9.530 9.788 -10.174 1.00 72.33 N ATOM 1694 CA GLN B 29 -9.253 9.890 -11.631 1.00 64.44 C ATOM 1695 C GLN B 29 -8.376 8.710 -12.124 1.00 22.34 C ATOM 1696 O GLN B 29 -8.493 8.266 -13.272 1.00 3.33 O ATOM 1697 CB GLN B 29 -8.560 11.246 -11.945 1.00 23.34 C ATOM 1698 CG GLN B 29 -9.374 12.513 -11.580 1.00 34.31 C ATOM 1699 CD GLN B 29 -10.586 12.790 -12.485 1.00 15.35 C ATOM 1700 OE1 GLN B 29 -11.211 11.885 -13.032 1.00 22.44 O ATOM 1701 NE2 GLN B 29 -10.937 14.049 -12.639 1.00 31.42 N ATOM 0 H GLN B 29 -9.095 10.530 -9.626 1.00 72.33 H new ATOM 0 HA GLN B 29 -10.204 9.841 -12.162 1.00 64.44 H new ATOM 0 HB2 GLN B 29 -7.610 11.280 -11.412 1.00 23.34 H new ATOM 0 HB3 GLN B 29 -8.330 11.278 -13.010 1.00 23.34 H new ATOM 0 HG2 GLN B 29 -9.722 12.419 -10.551 1.00 34.31 H new ATOM 0 HG3 GLN B 29 -8.709 13.376 -11.614 1.00 34.31 H new ATOM 0 HE21 GLN B 29 -10.406 14.787 -12.177 1.00 31.42 H new ATOM 0 HE22 GLN B 29 -11.740 14.287 -13.221 1.00 31.42 H new ATOM 1710 N ILE B 30 -7.486 8.233 -11.241 1.00 31.55 N ATOM 1711 CA ILE B 30 -6.648 7.046 -11.497 1.00 51.41 C ATOM 1712 C ILE B 30 -7.507 5.767 -11.483 1.00 54.24 C ATOM 1713 O ILE B 30 -7.369 4.921 -12.354 1.00 71.24 O ATOM 1714 CB ILE B 30 -5.505 6.926 -10.430 1.00 31.24 C ATOM 1715 CG1 ILE B 30 -4.671 8.240 -10.394 1.00 63.24 C ATOM 1716 CG2 ILE B 30 -4.601 5.697 -10.707 1.00 25.30 C ATOM 1717 CD1 ILE B 30 -3.690 8.347 -9.249 1.00 63.24 C ATOM 0 H ILE B 30 -7.325 8.658 -10.328 1.00 31.55 H new ATOM 0 HA ILE B 30 -6.195 7.162 -12.482 1.00 51.41 H new ATOM 0 HB ILE B 30 -5.961 6.776 -9.452 1.00 31.24 H new ATOM 0 HG12 ILE B 30 -4.122 8.329 -11.331 1.00 63.24 H new ATOM 0 HG13 ILE B 30 -5.357 9.086 -10.344 1.00 63.24 H new ATOM 0 HG21 ILE B 30 -3.819 5.643 -9.950 1.00 25.30 H new ATOM 0 HG22 ILE B 30 -5.202 4.788 -10.674 1.00 25.30 H new ATOM 0 HG23 ILE B 30 -4.146 5.795 -11.692 1.00 25.30 H new ATOM 0 HD11 ILE B 30 -3.159 9.297 -9.313 1.00 63.24 H new ATOM 0 HD12 ILE B 30 -4.228 8.295 -8.303 1.00 63.24 H new ATOM 0 HD13 ILE B 30 -2.974 7.527 -9.305 1.00 63.24 H new ATOM 1729 N LYS B 31 -8.404 5.656 -10.482 1.00 20.33 N ATOM 1730 CA LYS B 31 -9.361 4.522 -10.351 1.00 30.03 C ATOM 1731 C LYS B 31 -10.311 4.419 -11.575 1.00 62.10 C ATOM 1732 O LYS B 31 -10.844 3.347 -11.860 1.00 10.31 O ATOM 1733 CB LYS B 31 -10.173 4.645 -9.037 1.00 5.20 C ATOM 1734 CG LYS B 31 -9.345 4.447 -7.749 1.00 44.23 C ATOM 1735 CD LYS B 31 -10.162 4.639 -6.442 1.00 13.43 C ATOM 1736 CE LYS B 31 -11.209 3.529 -6.168 1.00 4.04 C ATOM 1737 NZ LYS B 31 -12.361 3.538 -7.113 1.00 3.20 N ATOM 0 H LYS B 31 -8.491 6.348 -9.737 1.00 20.33 H new ATOM 0 HA LYS B 31 -8.776 3.603 -10.318 1.00 30.03 H new ATOM 0 HB2 LYS B 31 -10.641 5.629 -9.005 1.00 5.20 H new ATOM 0 HB3 LYS B 31 -10.978 3.910 -9.052 1.00 5.20 H new ATOM 0 HG2 LYS B 31 -8.916 3.445 -7.754 1.00 44.23 H new ATOM 0 HG3 LYS B 31 -8.512 5.150 -7.752 1.00 44.23 H new ATOM 0 HD2 LYS B 31 -9.471 4.685 -5.600 1.00 13.43 H new ATOM 0 HD3 LYS B 31 -10.674 5.600 -6.487 1.00 13.43 H new ATOM 0 HE2 LYS B 31 -10.717 2.558 -6.220 1.00 4.04 H new ATOM 0 HE3 LYS B 31 -11.585 3.641 -5.151 1.00 4.04 H new ATOM 0 HZ1 LYS B 31 -13.245 3.390 -6.585 1.00 3.20 H new ATOM 0 HZ2 LYS B 31 -12.400 4.454 -7.604 1.00 3.20 H new ATOM 0 HZ3 LYS B 31 -12.243 2.776 -7.811 1.00 3.20 H new ATOM 1751 N LYS B 32 -10.542 5.559 -12.255 1.00 23.44 N ATOM 1752 CA LYS B 32 -11.253 5.607 -13.553 1.00 52.23 C ATOM 1753 C LYS B 32 -10.441 4.899 -14.677 1.00 3.33 C ATOM 1754 O LYS B 32 -10.943 3.980 -15.330 1.00 52.53 O ATOM 1755 CB LYS B 32 -11.538 7.086 -13.940 1.00 4.05 C ATOM 1756 CG LYS B 32 -12.751 7.733 -13.232 1.00 62.34 C ATOM 1757 CD LYS B 32 -14.098 7.145 -13.721 1.00 41.22 C ATOM 1758 CE LYS B 32 -15.327 7.892 -13.171 1.00 43.11 C ATOM 1759 NZ LYS B 32 -16.588 7.393 -13.778 1.00 24.23 N ATOM 0 H LYS B 32 -10.242 6.475 -11.922 1.00 23.44 H new ATOM 0 HA LYS B 32 -12.197 5.072 -13.444 1.00 52.23 H new ATOM 0 HB2 LYS B 32 -10.651 7.679 -13.719 1.00 4.05 H new ATOM 0 HB3 LYS B 32 -11.697 7.138 -15.017 1.00 4.05 H new ATOM 0 HG2 LYS B 32 -12.662 7.586 -12.156 1.00 62.34 H new ATOM 0 HG3 LYS B 32 -12.741 8.809 -13.408 1.00 62.34 H new ATOM 0 HD2 LYS B 32 -14.123 7.172 -14.810 1.00 41.22 H new ATOM 0 HD3 LYS B 32 -14.157 6.097 -13.426 1.00 41.22 H new ATOM 0 HE2 LYS B 32 -15.372 7.773 -12.088 1.00 43.11 H new ATOM 0 HE3 LYS B 32 -15.224 8.959 -13.370 1.00 43.11 H new ATOM 0 HZ1 LYS B 32 -17.394 7.919 -13.384 1.00 24.23 H new ATOM 0 HZ2 LYS B 32 -16.555 7.530 -14.808 1.00 24.23 H new ATOM 0 HZ3 LYS B 32 -16.698 6.381 -13.567 1.00 24.23 H new ATOM 1773 N ALA B 33 -9.180 5.333 -14.872 1.00 54.14 N ATOM 1774 CA ALA B 33 -8.298 4.817 -15.955 1.00 72.43 C ATOM 1775 C ALA B 33 -7.913 3.329 -15.738 1.00 34.43 C ATOM 1776 O ALA B 33 -7.863 2.541 -16.688 1.00 32.45 O ATOM 1777 CB ALA B 33 -7.045 5.700 -16.072 1.00 23.35 C ATOM 0 H ALA B 33 -8.740 6.046 -14.291 1.00 54.14 H new ATOM 0 HA ALA B 33 -8.855 4.862 -16.891 1.00 72.43 H new ATOM 0 HB1 ALA B 33 -6.403 5.318 -16.866 1.00 23.35 H new ATOM 0 HB2 ALA B 33 -7.341 6.723 -16.306 1.00 23.35 H new ATOM 0 HB3 ALA B 33 -6.501 5.686 -15.128 1.00 23.35 H new ATOM 1783 N THR B 34 -7.657 2.963 -14.471 1.00 75.35 N ATOM 1784 CA THR B 34 -7.326 1.575 -14.052 1.00 31.33 C ATOM 1785 C THR B 34 -8.586 0.689 -13.958 1.00 34.24 C ATOM 1786 O THR B 34 -8.485 -0.543 -13.971 1.00 72.24 O ATOM 1787 CB THR B 34 -6.619 1.559 -12.657 1.00 13.45 C ATOM 1788 OG1 THR B 34 -7.500 2.100 -11.651 1.00 43.54 O ATOM 1789 CG2 THR B 34 -5.313 2.361 -12.661 1.00 62.40 C ATOM 0 H THR B 34 -7.672 3.624 -13.694 1.00 75.35 H new ATOM 0 HA THR B 34 -6.658 1.178 -14.816 1.00 31.33 H new ATOM 0 HB THR B 34 -6.378 0.520 -12.432 1.00 13.45 H new ATOM 0 HG1 THR B 34 -7.573 3.070 -11.768 1.00 43.54 H new ATOM 0 HG21 THR B 34 -4.858 2.321 -11.671 1.00 62.40 H new ATOM 0 HG22 THR B 34 -4.627 1.935 -13.393 1.00 62.40 H new ATOM 0 HG23 THR B 34 -5.524 3.398 -12.922 1.00 62.40 H new ATOM 1797 N LYS B 35 -9.761 1.351 -13.818 1.00 52.25 N ATOM 1798 CA LYS B 35 -11.089 0.703 -13.686 1.00 61.21 C ATOM 1799 C LYS B 35 -11.195 -0.126 -12.368 1.00 4.30 C ATOM 1800 O LYS B 35 -11.983 -1.077 -12.269 1.00 45.34 O ATOM 1801 CB LYS B 35 -11.437 -0.132 -14.961 1.00 13.44 C ATOM 1802 CG LYS B 35 -11.423 0.690 -16.278 1.00 31.35 C ATOM 1803 CD LYS B 35 -11.915 -0.106 -17.514 1.00 24.31 C ATOM 1804 CE LYS B 35 -13.422 -0.442 -17.459 1.00 52.23 C ATOM 1805 NZ LYS B 35 -14.278 0.778 -17.426 1.00 34.23 N ATOM 0 H LYS B 35 -9.813 2.369 -13.793 1.00 52.25 H new ATOM 0 HA LYS B 35 -11.843 1.487 -13.611 1.00 61.21 H new ATOM 0 HB2 LYS B 35 -10.726 -0.953 -15.050 1.00 13.44 H new ATOM 0 HB3 LYS B 35 -12.424 -0.577 -14.833 1.00 13.44 H new ATOM 0 HG2 LYS B 35 -12.050 1.573 -16.152 1.00 31.35 H new ATOM 0 HG3 LYS B 35 -10.409 1.044 -16.465 1.00 31.35 H new ATOM 0 HD2 LYS B 35 -11.710 0.472 -18.415 1.00 24.31 H new ATOM 0 HD3 LYS B 35 -11.345 -1.032 -17.593 1.00 24.31 H new ATOM 0 HE2 LYS B 35 -13.688 -1.045 -18.327 1.00 52.23 H new ATOM 0 HE3 LYS B 35 -13.624 -1.048 -16.576 1.00 52.23 H new ATOM 0 HZ1 LYS B 35 -15.275 0.506 -17.543 1.00 34.23 H new ATOM 0 HZ2 LYS B 35 -14.156 1.263 -16.514 1.00 34.23 H new ATOM 0 HZ3 LYS B 35 -14.001 1.418 -18.198 1.00 34.23 H new ATOM 1819 N LEU B 36 -10.419 0.307 -11.342 1.00 4.04 N ATOM 1820 CA LEU B 36 -10.398 -0.325 -9.999 1.00 45.43 C ATOM 1821 C LEU B 36 -11.556 0.221 -9.128 1.00 45.12 C ATOM 1822 O LEU B 36 -11.708 1.439 -8.972 1.00 42.20 O ATOM 1823 CB LEU B 36 -9.029 -0.095 -9.286 1.00 60.33 C ATOM 1824 CG LEU B 36 -7.784 -0.792 -9.935 1.00 75.20 C ATOM 1825 CD1 LEU B 36 -6.487 -0.481 -9.148 1.00 31.03 C ATOM 1826 CD2 LEU B 36 -8.000 -2.318 -10.078 1.00 63.45 C ATOM 0 H LEU B 36 -9.790 1.105 -11.423 1.00 4.04 H new ATOM 0 HA LEU B 36 -10.532 -1.399 -10.132 1.00 45.43 H new ATOM 0 HB2 LEU B 36 -8.839 0.978 -9.247 1.00 60.33 H new ATOM 0 HB3 LEU B 36 -9.117 -0.441 -8.256 1.00 60.33 H new ATOM 0 HG LEU B 36 -7.668 -0.381 -10.938 1.00 75.20 H new ATOM 0 HD11 LEU B 36 -5.643 -0.980 -9.625 1.00 31.03 H new ATOM 0 HD12 LEU B 36 -6.315 0.595 -9.141 1.00 31.03 H new ATOM 0 HD13 LEU B 36 -6.588 -0.839 -8.124 1.00 31.03 H new ATOM 0 HD21 LEU B 36 -7.118 -2.769 -10.531 1.00 63.45 H new ATOM 0 HD22 LEU B 36 -8.166 -2.756 -9.094 1.00 63.45 H new ATOM 0 HD23 LEU B 36 -8.868 -2.505 -10.710 1.00 63.45 H new ATOM 1838 N LYS B 37 -12.380 -0.697 -8.583 1.00 72.05 N ATOM 1839 CA LYS B 37 -13.485 -0.351 -7.661 1.00 0.40 C ATOM 1840 C LYS B 37 -12.943 -0.076 -6.239 1.00 32.43 C ATOM 1841 O LYS B 37 -13.273 0.948 -5.627 1.00 24.41 O ATOM 1842 CB LYS B 37 -14.547 -1.485 -7.630 1.00 74.22 C ATOM 1843 CG LYS B 37 -15.246 -1.745 -8.987 1.00 14.21 C ATOM 1844 CD LYS B 37 -16.365 -2.813 -8.900 1.00 2.13 C ATOM 1845 CE LYS B 37 -15.845 -4.217 -8.534 1.00 73.35 C ATOM 1846 NZ LYS B 37 -14.911 -4.757 -9.559 1.00 1.42 N ATOM 0 H LYS B 37 -12.300 -1.697 -8.768 1.00 72.05 H new ATOM 0 HA LYS B 37 -13.963 0.557 -8.027 1.00 0.40 H new ATOM 0 HB2 LYS B 37 -14.067 -2.406 -7.300 1.00 74.22 H new ATOM 0 HB3 LYS B 37 -15.305 -1.236 -6.887 1.00 74.22 H new ATOM 0 HG2 LYS B 37 -15.671 -0.811 -9.355 1.00 14.21 H new ATOM 0 HG3 LYS B 37 -14.502 -2.065 -9.716 1.00 14.21 H new ATOM 0 HD2 LYS B 37 -17.098 -2.500 -8.157 1.00 2.13 H new ATOM 0 HD3 LYS B 37 -16.883 -2.864 -9.857 1.00 2.13 H new ATOM 0 HE2 LYS B 37 -15.338 -4.175 -7.570 1.00 73.35 H new ATOM 0 HE3 LYS B 37 -16.689 -4.897 -8.421 1.00 73.35 H new ATOM 0 HZ1 LYS B 37 -14.667 -5.740 -9.323 1.00 1.42 H new ATOM 0 HZ2 LYS B 37 -15.367 -4.728 -10.493 1.00 1.42 H new ATOM 0 HZ3 LYS B 37 -14.045 -4.181 -9.578 1.00 1.42 H new ATOM 1860 N ALA B 38 -12.098 -0.999 -5.736 1.00 44.44 N ATOM 1861 CA ALA B 38 -11.485 -0.889 -4.396 1.00 44.53 C ATOM 1862 C ALA B 38 -10.308 0.117 -4.383 1.00 32.53 C ATOM 1863 O ALA B 38 -9.403 0.050 -5.230 1.00 72.13 O ATOM 1864 CB ALA B 38 -11.011 -2.273 -3.921 1.00 11.43 C ATOM 0 H ALA B 38 -11.822 -1.839 -6.245 1.00 44.44 H new ATOM 0 HA ALA B 38 -12.244 -0.512 -3.711 1.00 44.53 H new ATOM 0 HB1 ALA B 38 -10.560 -2.184 -2.933 1.00 11.43 H new ATOM 0 HB2 ALA B 38 -11.862 -2.952 -3.872 1.00 11.43 H new ATOM 0 HB3 ALA B 38 -10.274 -2.665 -4.622 1.00 11.43 H new ATOM 1870 N ASP B 39 -10.344 1.048 -3.417 1.00 21.34 N ATOM 1871 CA ASP B 39 -9.233 1.991 -3.141 1.00 15.32 C ATOM 1872 C ASP B 39 -7.973 1.254 -2.643 1.00 42.54 C ATOM 1873 O ASP B 39 -6.856 1.734 -2.810 1.00 33.22 O ATOM 1874 CB ASP B 39 -9.678 3.009 -2.071 1.00 2.22 C ATOM 1875 CG ASP B 39 -10.874 3.852 -2.515 1.00 42.11 C ATOM 1876 OD1 ASP B 39 -12.025 3.365 -2.418 1.00 61.13 O ATOM 1877 OD2 ASP B 39 -10.672 4.995 -2.964 1.00 14.33 O ATOM 0 H ASP B 39 -11.146 1.174 -2.799 1.00 21.34 H new ATOM 0 HA ASP B 39 -8.986 2.500 -4.073 1.00 15.32 H new ATOM 0 HB2 ASP B 39 -9.935 2.477 -1.155 1.00 2.22 H new ATOM 0 HB3 ASP B 39 -8.843 3.668 -1.834 1.00 2.22 H new ATOM 1882 N LYS B 40 -8.186 0.093 -2.012 1.00 41.44 N ATOM 1883 CA LYS B 40 -7.127 -0.668 -1.310 1.00 63.30 C ATOM 1884 C LYS B 40 -6.129 -1.295 -2.301 1.00 3.03 C ATOM 1885 O LYS B 40 -4.919 -1.270 -2.075 1.00 31.21 O ATOM 1886 CB LYS B 40 -7.774 -1.741 -0.391 1.00 23.14 C ATOM 1887 CG LYS B 40 -9.021 -1.239 0.384 1.00 13.12 C ATOM 1888 CD LYS B 40 -8.787 0.091 1.139 1.00 44.32 C ATOM 1889 CE LYS B 40 -10.042 0.586 1.862 1.00 31.43 C ATOM 1890 NZ LYS B 40 -10.491 -0.358 2.919 1.00 44.40 N ATOM 0 H LYS B 40 -9.102 -0.354 -1.970 1.00 41.44 H new ATOM 0 HA LYS B 40 -6.556 0.022 -0.688 1.00 63.30 H new ATOM 0 HB2 LYS B 40 -8.058 -2.601 -0.998 1.00 23.14 H new ATOM 0 HB3 LYS B 40 -7.029 -2.088 0.325 1.00 23.14 H new ATOM 0 HG2 LYS B 40 -9.846 -1.109 -0.317 1.00 13.12 H new ATOM 0 HG3 LYS B 40 -9.327 -2.004 1.098 1.00 13.12 H new ATOM 0 HD2 LYS B 40 -7.984 -0.043 1.864 1.00 44.32 H new ATOM 0 HD3 LYS B 40 -8.455 0.852 0.433 1.00 44.32 H new ATOM 0 HE2 LYS B 40 -9.842 1.560 2.309 1.00 31.43 H new ATOM 0 HE3 LYS B 40 -10.845 0.726 1.138 1.00 31.43 H new ATOM 0 HZ1 LYS B 40 -11.494 -0.592 2.773 1.00 44.40 H new ATOM 0 HZ2 LYS B 40 -9.922 -1.228 2.872 1.00 44.40 H new ATOM 0 HZ3 LYS B 40 -10.371 0.084 3.853 1.00 44.40 H new ATOM 1904 N ASP B 41 -6.657 -1.823 -3.417 1.00 41.45 N ATOM 1905 CA ASP B 41 -5.837 -2.317 -4.543 1.00 41.33 C ATOM 1906 C ASP B 41 -5.038 -1.160 -5.204 1.00 1.15 C ATOM 1907 O ASP B 41 -3.908 -1.354 -5.671 1.00 41.53 O ATOM 1908 CB ASP B 41 -6.737 -3.036 -5.571 1.00 40.43 C ATOM 1909 CG ASP B 41 -7.284 -4.367 -5.030 1.00 21.13 C ATOM 1910 OD1 ASP B 41 -8.299 -4.348 -4.306 1.00 51.22 O ATOM 1911 OD2 ASP B 41 -6.684 -5.439 -5.305 1.00 3.44 O ATOM 0 H ASP B 41 -7.661 -1.921 -3.567 1.00 41.45 H new ATOM 0 HA ASP B 41 -5.110 -3.032 -4.159 1.00 41.33 H new ATOM 0 HB2 ASP B 41 -7.569 -2.386 -5.841 1.00 40.43 H new ATOM 0 HB3 ASP B 41 -6.169 -3.222 -6.482 1.00 40.43 H new ATOM 1916 N PHE B 42 -5.639 0.047 -5.215 1.00 0.20 N ATOM 1917 CA PHE B 42 -4.951 1.282 -5.643 1.00 5.34 C ATOM 1918 C PHE B 42 -3.769 1.640 -4.685 1.00 2.10 C ATOM 1919 O PHE B 42 -2.712 2.056 -5.149 1.00 45.44 O ATOM 1920 CB PHE B 42 -5.975 2.457 -5.765 1.00 43.01 C ATOM 1921 CG PHE B 42 -5.338 3.846 -5.836 1.00 53.13 C ATOM 1922 CD1 PHE B 42 -4.678 4.275 -6.987 1.00 55.04 C ATOM 1923 CD2 PHE B 42 -5.356 4.705 -4.730 1.00 44.23 C ATOM 1924 CE1 PHE B 42 -4.072 5.514 -7.034 1.00 13.51 C ATOM 1925 CE2 PHE B 42 -4.741 5.940 -4.780 1.00 61.44 C ATOM 1926 CZ PHE B 42 -4.099 6.344 -5.931 1.00 72.44 C ATOM 0 H PHE B 42 -6.607 0.193 -4.930 1.00 0.20 H new ATOM 0 HA PHE B 42 -4.516 1.109 -6.627 1.00 5.34 H new ATOM 0 HB2 PHE B 42 -6.582 2.303 -6.657 1.00 43.01 H new ATOM 0 HB3 PHE B 42 -6.651 2.424 -4.910 1.00 43.01 H new ATOM 0 HD1 PHE B 42 -4.641 3.630 -7.852 1.00 55.04 H new ATOM 0 HD2 PHE B 42 -5.858 4.397 -3.825 1.00 44.23 H new ATOM 0 HE1 PHE B 42 -3.575 5.836 -7.937 1.00 13.51 H new ATOM 0 HE2 PHE B 42 -4.763 6.590 -3.917 1.00 61.44 H new ATOM 0 HZ PHE B 42 -3.617 7.310 -5.970 1.00 72.44 H new ATOM 1936 N PHE B 43 -3.961 1.482 -3.355 1.00 33.22 N ATOM 1937 CA PHE B 43 -2.906 1.812 -2.346 1.00 73.31 C ATOM 1938 C PHE B 43 -1.704 0.833 -2.423 1.00 3.45 C ATOM 1939 O PHE B 43 -0.550 1.252 -2.286 1.00 34.21 O ATOM 1940 CB PHE B 43 -3.483 1.821 -0.901 1.00 14.43 C ATOM 1941 CG PHE B 43 -4.630 2.808 -0.676 1.00 2.23 C ATOM 1942 CD1 PHE B 43 -4.568 4.116 -1.169 1.00 22.40 C ATOM 1943 CD2 PHE B 43 -5.769 2.432 0.033 1.00 32.11 C ATOM 1944 CE1 PHE B 43 -5.610 5.003 -0.965 1.00 41.51 C ATOM 1945 CE2 PHE B 43 -6.807 3.315 0.234 1.00 64.32 C ATOM 1946 CZ PHE B 43 -6.730 4.603 -0.266 1.00 65.40 C ATOM 0 H PHE B 43 -4.828 1.131 -2.949 1.00 33.22 H new ATOM 0 HA PHE B 43 -2.549 2.813 -2.589 1.00 73.31 H new ATOM 0 HB2 PHE B 43 -3.832 0.818 -0.658 1.00 14.43 H new ATOM 0 HB3 PHE B 43 -2.678 2.056 -0.205 1.00 14.43 H new ATOM 0 HD1 PHE B 43 -3.694 4.438 -1.716 1.00 22.40 H new ATOM 0 HD2 PHE B 43 -5.839 1.431 0.432 1.00 32.11 H new ATOM 0 HE1 PHE B 43 -5.547 6.009 -1.353 1.00 41.51 H new ATOM 0 HE2 PHE B 43 -7.683 3.001 0.783 1.00 64.32 H new ATOM 0 HZ PHE B 43 -7.545 5.294 -0.109 1.00 65.40 H new ATOM 1956 N LEU B 44 -1.997 -0.466 -2.643 1.00 3.45 N ATOM 1957 CA LEU B 44 -0.959 -1.523 -2.813 1.00 35.44 C ATOM 1958 C LEU B 44 -0.142 -1.300 -4.114 1.00 12.25 C ATOM 1959 O LEU B 44 1.087 -1.462 -4.122 1.00 4.32 O ATOM 1960 CB LEU B 44 -1.612 -2.947 -2.790 1.00 53.02 C ATOM 1961 CG LEU B 44 -1.816 -3.603 -1.372 1.00 74.31 C ATOM 1962 CD1 LEU B 44 -2.652 -2.719 -0.417 1.00 12.52 C ATOM 1963 CD2 LEU B 44 -2.429 -5.020 -1.495 1.00 4.42 C ATOM 0 H LEU B 44 -2.952 -0.818 -2.709 1.00 3.45 H new ATOM 0 HA LEU B 44 -0.266 -1.456 -1.975 1.00 35.44 H new ATOM 0 HB2 LEU B 44 -2.583 -2.885 -3.280 1.00 53.02 H new ATOM 0 HB3 LEU B 44 -0.994 -3.616 -3.390 1.00 53.02 H new ATOM 0 HG LEU B 44 -0.825 -3.693 -0.927 1.00 74.31 H new ATOM 0 HD11 LEU B 44 -2.759 -3.222 0.544 1.00 12.52 H new ATOM 0 HD12 LEU B 44 -2.149 -1.763 -0.272 1.00 12.52 H new ATOM 0 HD13 LEU B 44 -3.638 -2.548 -0.849 1.00 12.52 H new ATOM 0 HD21 LEU B 44 -2.558 -5.448 -0.501 1.00 4.42 H new ATOM 0 HD22 LEU B 44 -3.397 -4.956 -1.991 1.00 4.42 H new ATOM 0 HD23 LEU B 44 -1.763 -5.655 -2.080 1.00 4.42 H new ATOM 1975 N GLY B 45 -0.842 -0.913 -5.200 1.00 52.14 N ATOM 1976 CA GLY B 45 -0.195 -0.597 -6.482 1.00 3.42 C ATOM 1977 C GLY B 45 0.678 0.667 -6.431 1.00 11.12 C ATOM 1978 O GLY B 45 1.834 0.650 -6.846 1.00 12.34 O ATOM 0 H GLY B 45 -1.857 -0.813 -5.211 1.00 52.14 H new ATOM 0 HA2 GLY B 45 0.421 -1.443 -6.788 1.00 3.42 H new ATOM 0 HA3 GLY B 45 -0.962 -0.469 -7.246 1.00 3.42 H new ATOM 1982 N LEU B 46 0.114 1.757 -5.881 1.00 24.20 N ATOM 1983 CA LEU B 46 0.810 3.066 -5.735 1.00 73.33 C ATOM 1984 C LEU B 46 2.025 2.960 -4.769 1.00 23.01 C ATOM 1985 O LEU B 46 3.042 3.644 -4.939 1.00 43.00 O ATOM 1986 CB LEU B 46 -0.195 4.136 -5.225 1.00 41.33 C ATOM 1987 CG LEU B 46 0.353 5.591 -5.061 1.00 71.21 C ATOM 1988 CD1 LEU B 46 0.824 6.175 -6.413 1.00 64.24 C ATOM 1989 CD2 LEU B 46 -0.689 6.507 -4.379 1.00 40.23 C ATOM 0 H LEU B 46 -0.840 1.764 -5.521 1.00 24.20 H new ATOM 0 HA LEU B 46 1.192 3.362 -6.712 1.00 73.33 H new ATOM 0 HB2 LEU B 46 -1.039 4.166 -5.914 1.00 41.33 H new ATOM 0 HB3 LEU B 46 -0.582 3.807 -4.261 1.00 41.33 H new ATOM 0 HG LEU B 46 1.225 5.543 -4.409 1.00 71.21 H new ATOM 0 HD11 LEU B 46 1.199 7.187 -6.261 1.00 64.24 H new ATOM 0 HD12 LEU B 46 1.619 5.551 -6.822 1.00 64.24 H new ATOM 0 HD13 LEU B 46 -0.013 6.199 -7.111 1.00 64.24 H new ATOM 0 HD21 LEU B 46 -0.279 7.512 -4.279 1.00 40.23 H new ATOM 0 HD22 LEU B 46 -1.594 6.543 -4.985 1.00 40.23 H new ATOM 0 HD23 LEU B 46 -0.929 6.113 -3.392 1.00 40.23 H new ATOM 2001 N GLY B 47 1.897 2.063 -3.779 1.00 30.32 N ATOM 2002 CA GLY B 47 2.980 1.761 -2.825 1.00 43.11 C ATOM 2003 C GLY B 47 4.183 1.091 -3.500 1.00 54.21 C ATOM 2004 O GLY B 47 5.338 1.270 -3.084 1.00 55.34 O ATOM 0 H GLY B 47 1.044 1.528 -3.616 1.00 30.32 H new ATOM 0 HA2 GLY B 47 3.304 2.684 -2.343 1.00 43.11 H new ATOM 0 HA3 GLY B 47 2.598 1.109 -2.040 1.00 43.11 H new ATOM 2008 N TRP B 48 3.890 0.315 -4.558 1.00 51.10 N ATOM 2009 CA TRP B 48 4.910 -0.331 -5.402 1.00 12.33 C ATOM 2010 C TRP B 48 5.605 0.707 -6.341 1.00 63.14 C ATOM 2011 O TRP B 48 6.790 0.575 -6.670 1.00 3.33 O ATOM 2012 CB TRP B 48 4.262 -1.479 -6.216 1.00 4.01 C ATOM 2013 CG TRP B 48 5.263 -2.437 -6.806 1.00 65.40 C ATOM 2014 CD1 TRP B 48 5.903 -2.352 -8.014 1.00 43.23 C ATOM 2015 CD2 TRP B 48 5.749 -3.628 -6.185 1.00 4.11 C ATOM 2016 NE1 TRP B 48 6.767 -3.402 -8.163 1.00 13.40 N ATOM 2017 CE2 TRP B 48 6.683 -4.203 -7.058 1.00 21.04 C ATOM 2018 CE3 TRP B 48 5.479 -4.258 -4.965 1.00 32.13 C ATOM 2019 CZ2 TRP B 48 7.354 -5.378 -6.752 1.00 42.01 C ATOM 2020 CZ3 TRP B 48 6.141 -5.428 -4.665 1.00 22.52 C ATOM 2021 CH2 TRP B 48 7.072 -5.977 -5.555 1.00 11.03 C ATOM 0 H TRP B 48 2.934 0.117 -4.853 1.00 51.10 H new ATOM 0 HA TRP B 48 5.684 -0.751 -4.759 1.00 12.33 H new ATOM 0 HB2 TRP B 48 3.580 -2.031 -5.570 1.00 4.01 H new ATOM 0 HB3 TRP B 48 3.663 -1.051 -7.020 1.00 4.01 H new ATOM 0 HD1 TRP B 48 5.748 -1.570 -8.743 1.00 43.23 H new ATOM 0 HE1 TRP B 48 7.374 -3.561 -8.967 1.00 13.40 H new ATOM 0 HE3 TRP B 48 4.766 -3.835 -4.273 1.00 32.13 H new ATOM 0 HZ2 TRP B 48 8.074 -5.805 -7.435 1.00 42.01 H new ATOM 0 HZ3 TRP B 48 5.939 -5.929 -3.730 1.00 22.52 H new ATOM 0 HH2 TRP B 48 7.579 -6.893 -5.291 1.00 11.03 H new ATOM 2032 N LEU B 49 4.856 1.737 -6.765 1.00 24.42 N ATOM 2033 CA LEU B 49 5.417 2.897 -7.515 1.00 31.33 C ATOM 2034 C LEU B 49 6.428 3.696 -6.642 1.00 14.15 C ATOM 2035 O LEU B 49 7.390 4.274 -7.166 1.00 72.24 O ATOM 2036 CB LEU B 49 4.262 3.822 -8.025 1.00 73.24 C ATOM 2037 CG LEU B 49 3.548 3.418 -9.364 1.00 75.45 C ATOM 2038 CD1 LEU B 49 3.185 1.942 -9.395 1.00 54.12 C ATOM 2039 CD2 LEU B 49 2.288 4.279 -9.604 1.00 72.52 C ATOM 0 H LEU B 49 3.851 1.800 -6.605 1.00 24.42 H new ATOM 0 HA LEU B 49 5.961 2.515 -8.379 1.00 31.33 H new ATOM 0 HB2 LEU B 49 3.505 3.877 -7.243 1.00 73.24 H new ATOM 0 HB3 LEU B 49 4.666 4.827 -8.149 1.00 73.24 H new ATOM 0 HG LEU B 49 4.260 3.604 -10.168 1.00 75.45 H new ATOM 0 HD11 LEU B 49 2.693 1.708 -10.339 1.00 54.12 H new ATOM 0 HD12 LEU B 49 4.090 1.343 -9.299 1.00 54.12 H new ATOM 0 HD13 LEU B 49 2.511 1.716 -8.569 1.00 54.12 H new ATOM 0 HD21 LEU B 49 1.814 3.978 -10.538 1.00 72.52 H new ATOM 0 HD22 LEU B 49 1.589 4.138 -8.780 1.00 72.52 H new ATOM 0 HD23 LEU B 49 2.571 5.330 -9.664 1.00 72.52 H new ATOM 2051 N LEU B 50 6.185 3.715 -5.309 1.00 22.40 N ATOM 2052 CA LEU B 50 7.092 4.346 -4.319 1.00 32.42 C ATOM 2053 C LEU B 50 8.439 3.588 -4.183 1.00 41.24 C ATOM 2054 O LEU B 50 9.494 4.220 -4.083 1.00 24.21 O ATOM 2055 CB LEU B 50 6.399 4.436 -2.927 1.00 4.13 C ATOM 2056 CG LEU B 50 5.144 5.361 -2.840 1.00 52.31 C ATOM 2057 CD1 LEU B 50 4.492 5.297 -1.438 1.00 41.33 C ATOM 2058 CD2 LEU B 50 5.502 6.813 -3.233 1.00 20.32 C ATOM 0 H LEU B 50 5.356 3.294 -4.890 1.00 22.40 H new ATOM 0 HA LEU B 50 7.312 5.348 -4.687 1.00 32.42 H new ATOM 0 HB2 LEU B 50 6.105 3.431 -2.625 1.00 4.13 H new ATOM 0 HB3 LEU B 50 7.133 4.785 -2.201 1.00 4.13 H new ATOM 0 HG LEU B 50 4.407 4.995 -3.555 1.00 52.31 H new ATOM 0 HD11 LEU B 50 3.621 5.952 -1.411 1.00 41.33 H new ATOM 0 HD12 LEU B 50 4.182 4.273 -1.227 1.00 41.33 H new ATOM 0 HD13 LEU B 50 5.212 5.620 -0.687 1.00 41.33 H new ATOM 0 HD21 LEU B 50 4.612 7.438 -3.165 1.00 20.32 H new ATOM 0 HD22 LEU B 50 6.267 7.195 -2.557 1.00 20.32 H new ATOM 0 HD23 LEU B 50 5.880 6.831 -4.255 1.00 20.32 H new ATOM 2070 N ARG B 51 8.400 2.229 -4.170 1.00 11.23 N ATOM 2071 CA ARG B 51 9.633 1.399 -3.998 1.00 11.34 C ATOM 2072 C ARG B 51 10.550 1.411 -5.242 1.00 21.52 C ATOM 2073 O ARG B 51 11.711 1.005 -5.160 1.00 12.30 O ATOM 2074 CB ARG B 51 9.289 -0.054 -3.523 1.00 40.34 C ATOM 2075 CG ARG B 51 8.374 -0.939 -4.426 1.00 14.13 C ATOM 2076 CD ARG B 51 9.103 -1.642 -5.585 1.00 61.12 C ATOM 2077 NE ARG B 51 10.058 -2.667 -5.119 1.00 42.11 N ATOM 2078 CZ ARG B 51 11.318 -2.772 -5.493 1.00 70.23 C ATOM 2079 NH1 ARG B 51 11.873 -1.898 -6.276 1.00 11.33 N ATOM 2080 NH2 ARG B 51 12.026 -3.760 -5.054 1.00 51.24 N ATOM 0 H ARG B 51 7.543 1.687 -4.275 1.00 11.23 H new ATOM 0 HA ARG B 51 10.213 1.869 -3.204 1.00 11.34 H new ATOM 0 HB2 ARG B 51 10.229 -0.587 -3.381 1.00 40.34 H new ATOM 0 HB3 ARG B 51 8.815 0.021 -2.544 1.00 40.34 H new ATOM 0 HG2 ARG B 51 7.895 -1.695 -3.804 1.00 14.13 H new ATOM 0 HG3 ARG B 51 7.581 -0.315 -4.838 1.00 14.13 H new ATOM 0 HD2 ARG B 51 8.368 -2.108 -6.242 1.00 61.12 H new ATOM 0 HD3 ARG B 51 9.635 -0.898 -6.178 1.00 61.12 H new ATOM 0 HE ARG B 51 9.713 -3.354 -4.449 1.00 42.11 H new ATOM 0 HH11 ARG B 51 11.332 -1.104 -6.619 1.00 11.33 H new ATOM 0 HH12 ARG B 51 12.850 -2.005 -6.549 1.00 11.33 H new ATOM 0 HH21 ARG B 51 11.609 -4.447 -4.426 1.00 51.24 H new ATOM 0 HH22 ARG B 51 13.002 -3.853 -5.336 1.00 51.24 H new ATOM 2094 N GLU B 52 10.012 1.846 -6.392 1.00 13.13 N ATOM 2095 CA GLU B 52 10.809 2.069 -7.622 1.00 42.21 C ATOM 2096 C GLU B 52 11.091 3.571 -7.857 1.00 72.14 C ATOM 2097 O GLU B 52 11.965 3.912 -8.664 1.00 31.02 O ATOM 2098 CB GLU B 52 10.082 1.450 -8.845 1.00 23.12 C ATOM 2099 CG GLU B 52 9.929 -0.082 -8.777 1.00 30.24 C ATOM 2100 CD GLU B 52 9.309 -0.684 -10.047 1.00 33.41 C ATOM 2101 OE1 GLU B 52 10.043 -0.863 -11.039 1.00 33.52 O ATOM 2102 OE2 GLU B 52 8.088 -0.951 -10.074 1.00 73.14 O ATOM 0 H GLU B 52 9.019 2.054 -6.502 1.00 13.13 H new ATOM 0 HA GLU B 52 11.772 1.575 -7.493 1.00 42.21 H new ATOM 0 HB2 GLU B 52 9.093 1.900 -8.932 1.00 23.12 H new ATOM 0 HB3 GLU B 52 10.631 1.710 -9.750 1.00 23.12 H new ATOM 0 HG2 GLU B 52 10.908 -0.532 -8.610 1.00 30.24 H new ATOM 0 HG3 GLU B 52 9.308 -0.341 -7.919 1.00 30.24 H new ATOM 2109 N ASP B 53 10.328 4.453 -7.163 1.00 70.15 N ATOM 2110 CA ASP B 53 10.427 5.929 -7.301 1.00 73.11 C ATOM 2111 C ASP B 53 10.109 6.402 -8.736 1.00 5.51 C ATOM 2112 O ASP B 53 10.659 7.396 -9.212 1.00 22.20 O ATOM 2113 CB ASP B 53 11.806 6.457 -6.812 1.00 31.15 C ATOM 2114 CG ASP B 53 11.887 6.533 -5.285 1.00 54.45 C ATOM 2115 OD1 ASP B 53 11.503 7.583 -4.716 1.00 72.24 O ATOM 2116 OD2 ASP B 53 12.301 5.541 -4.640 1.00 50.03 O ATOM 0 H ASP B 53 9.622 4.159 -6.488 1.00 70.15 H new ATOM 0 HA ASP B 53 9.665 6.361 -6.653 1.00 73.11 H new ATOM 0 HB2 ASP B 53 12.596 5.804 -7.184 1.00 31.15 H new ATOM 0 HB3 ASP B 53 11.985 7.446 -7.233 1.00 31.15 H new ATOM 2121 N LYS B 54 9.161 5.711 -9.391 1.00 51.22 N ATOM 2122 CA LYS B 54 8.683 6.093 -10.743 1.00 53.31 C ATOM 2123 C LYS B 54 7.618 7.201 -10.652 1.00 24.54 C ATOM 2124 O LYS B 54 7.137 7.682 -11.681 1.00 13.31 O ATOM 2125 CB LYS B 54 8.108 4.862 -11.487 1.00 32.23 C ATOM 2126 CG LYS B 54 9.110 3.699 -11.650 1.00 1.13 C ATOM 2127 CD LYS B 54 8.534 2.490 -12.420 1.00 50.51 C ATOM 2128 CE LYS B 54 7.264 1.909 -11.772 1.00 43.00 C ATOM 2129 NZ LYS B 54 6.837 0.663 -12.440 1.00 64.31 N ATOM 0 H LYS B 54 8.706 4.882 -9.010 1.00 51.22 H new ATOM 0 HA LYS B 54 9.535 6.475 -11.306 1.00 53.31 H new ATOM 0 HB2 LYS B 54 7.233 4.500 -10.947 1.00 32.23 H new ATOM 0 HB3 LYS B 54 7.767 5.174 -12.474 1.00 32.23 H new ATOM 0 HG2 LYS B 54 9.995 4.063 -12.172 1.00 1.13 H new ATOM 0 HG3 LYS B 54 9.435 3.369 -10.663 1.00 1.13 H new ATOM 0 HD2 LYS B 54 8.307 2.793 -13.442 1.00 50.51 H new ATOM 0 HD3 LYS B 54 9.293 1.710 -12.480 1.00 50.51 H new ATOM 0 HE2 LYS B 54 7.451 1.712 -10.716 1.00 43.00 H new ATOM 0 HE3 LYS B 54 6.460 2.644 -11.822 1.00 43.00 H new ATOM 0 HZ1 LYS B 54 5.803 0.666 -12.551 1.00 64.31 H new ATOM 0 HZ2 LYS B 54 7.286 0.599 -13.376 1.00 64.31 H new ATOM 0 HZ3 LYS B 54 7.121 -0.155 -11.864 1.00 64.31 H new ATOM 2143 N VAL B 55 7.261 7.608 -9.410 1.00 15.23 N ATOM 2144 CA VAL B 55 6.282 8.683 -9.158 1.00 12.02 C ATOM 2145 C VAL B 55 6.744 9.684 -8.070 1.00 10.00 C ATOM 2146 O VAL B 55 7.624 9.393 -7.252 1.00 12.35 O ATOM 2147 CB VAL B 55 4.885 8.106 -8.731 1.00 34.32 C ATOM 2148 CG1 VAL B 55 4.229 7.290 -9.867 1.00 42.44 C ATOM 2149 CG2 VAL B 55 4.984 7.288 -7.412 1.00 2.42 C ATOM 0 H VAL B 55 7.645 7.198 -8.559 1.00 15.23 H new ATOM 0 HA VAL B 55 6.197 9.214 -10.106 1.00 12.02 H new ATOM 0 HB VAL B 55 4.231 8.956 -8.534 1.00 34.32 H new ATOM 0 HG11 VAL B 55 3.265 6.909 -9.531 1.00 42.44 H new ATOM 0 HG12 VAL B 55 4.083 7.930 -10.737 1.00 42.44 H new ATOM 0 HG13 VAL B 55 4.876 6.455 -10.136 1.00 42.44 H new ATOM 0 HG21 VAL B 55 3.999 6.904 -7.147 1.00 2.42 H new ATOM 0 HG22 VAL B 55 5.673 6.455 -7.551 1.00 2.42 H new ATOM 0 HG23 VAL B 55 5.350 7.931 -6.612 1.00 2.42 H new ATOM 2159 N VAL B 56 6.124 10.882 -8.107 1.00 34.14 N ATOM 2160 CA VAL B 56 6.125 11.861 -6.998 1.00 5.42 C ATOM 2161 C VAL B 56 4.681 11.985 -6.455 1.00 51.32 C ATOM 2162 O VAL B 56 3.759 12.313 -7.208 1.00 22.12 O ATOM 2163 CB VAL B 56 6.666 13.277 -7.457 1.00 60.41 C ATOM 2164 CG1 VAL B 56 6.523 14.343 -6.330 1.00 21.23 C ATOM 2165 CG2 VAL B 56 8.141 13.178 -7.927 1.00 22.31 C ATOM 0 H VAL B 56 5.600 11.202 -8.921 1.00 34.14 H new ATOM 0 HA VAL B 56 6.797 11.506 -6.216 1.00 5.42 H new ATOM 0 HB VAL B 56 6.053 13.601 -8.298 1.00 60.41 H new ATOM 0 HG11 VAL B 56 6.905 15.300 -6.684 1.00 21.23 H new ATOM 0 HG12 VAL B 56 5.472 14.449 -6.061 1.00 21.23 H new ATOM 0 HG13 VAL B 56 7.092 14.026 -5.456 1.00 21.23 H new ATOM 0 HG21 VAL B 56 8.491 14.163 -8.237 1.00 22.31 H new ATOM 0 HG22 VAL B 56 8.761 12.815 -7.107 1.00 22.31 H new ATOM 0 HG23 VAL B 56 8.210 12.487 -8.767 1.00 22.31 H new ATOM 2175 N THR B 57 4.508 11.734 -5.144 1.00 44.30 N ATOM 2176 CA THR B 57 3.183 11.722 -4.470 1.00 52.14 C ATOM 2177 C THR B 57 2.995 12.971 -3.579 1.00 33.43 C ATOM 2178 O THR B 57 3.943 13.442 -2.944 1.00 1.02 O ATOM 2179 CB THR B 57 3.014 10.442 -3.584 1.00 3.35 C ATOM 2180 OG1 THR B 57 4.134 10.314 -2.688 1.00 60.30 O ATOM 2181 CG2 THR B 57 2.886 9.158 -4.428 1.00 50.03 C ATOM 0 H THR B 57 5.284 11.532 -4.513 1.00 44.30 H new ATOM 0 HA THR B 57 2.428 11.724 -5.256 1.00 52.14 H new ATOM 0 HB THR B 57 2.090 10.562 -3.019 1.00 3.35 H new ATOM 0 HG1 THR B 57 4.767 9.658 -3.048 1.00 60.30 H new ATOM 0 HG21 THR B 57 2.771 8.298 -3.768 1.00 50.03 H new ATOM 0 HG22 THR B 57 2.015 9.235 -5.078 1.00 50.03 H new ATOM 0 HG23 THR B 57 3.782 9.031 -5.036 1.00 50.03 H new ATOM 2189 N SER B 58 1.749 13.465 -3.522 1.00 14.21 N ATOM 2190 CA SER B 58 1.358 14.656 -2.729 1.00 41.31 C ATOM 2191 C SER B 58 -0.127 14.548 -2.317 1.00 20.44 C ATOM 2192 O SER B 58 -0.841 13.637 -2.760 1.00 34.35 O ATOM 2193 CB SER B 58 1.598 15.962 -3.538 1.00 52.30 C ATOM 2194 OG SER B 58 0.778 16.022 -4.697 1.00 55.33 O ATOM 0 H SER B 58 0.969 13.048 -4.030 1.00 14.21 H new ATOM 0 HA SER B 58 1.976 14.693 -1.832 1.00 41.31 H new ATOM 0 HB2 SER B 58 1.395 16.825 -2.904 1.00 52.30 H new ATOM 0 HB3 SER B 58 2.646 16.021 -3.831 1.00 52.30 H new ATOM 0 HG SER B 58 0.575 15.113 -5.001 1.00 55.33 H new ATOM 2200 N GLU B 59 -0.593 15.477 -1.464 1.00 71.32 N ATOM 2201 CA GLU B 59 -2.009 15.531 -1.032 1.00 23.31 C ATOM 2202 C GLU B 59 -2.623 16.888 -1.443 1.00 43.34 C ATOM 2203 O GLU B 59 -2.225 17.944 -0.940 1.00 34.55 O ATOM 2204 CB GLU B 59 -2.139 15.294 0.500 1.00 12.13 C ATOM 2205 CG GLU B 59 -3.598 15.130 0.990 1.00 64.33 C ATOM 2206 CD GLU B 59 -3.708 14.791 2.490 1.00 11.35 C ATOM 2207 OE1 GLU B 59 -3.392 13.643 2.871 1.00 1.03 O ATOM 2208 OE2 GLU B 59 -4.088 15.670 3.293 1.00 74.12 O ATOM 0 H GLU B 59 -0.009 16.207 -1.056 1.00 71.32 H new ATOM 0 HA GLU B 59 -2.560 14.731 -1.527 1.00 23.31 H new ATOM 0 HB2 GLU B 59 -1.574 14.401 0.768 1.00 12.13 H new ATOM 0 HB3 GLU B 59 -1.682 16.131 1.027 1.00 12.13 H new ATOM 0 HG2 GLU B 59 -4.145 16.052 0.793 1.00 64.33 H new ATOM 0 HG3 GLU B 59 -4.081 14.343 0.411 1.00 64.33 H new ATOM 2215 N VAL B 60 -3.592 16.832 -2.373 1.00 70.31 N ATOM 2216 CA VAL B 60 -4.251 18.017 -2.965 1.00 5.11 C ATOM 2217 C VAL B 60 -5.778 17.942 -2.746 1.00 51.10 C ATOM 2218 O VAL B 60 -6.437 17.003 -3.214 1.00 70.21 O ATOM 2219 CB VAL B 60 -3.910 18.154 -4.503 1.00 12.12 C ATOM 2220 CG1 VAL B 60 -4.790 19.217 -5.221 1.00 52.04 C ATOM 2221 CG2 VAL B 60 -2.405 18.479 -4.699 1.00 12.03 C ATOM 0 H VAL B 60 -3.947 15.950 -2.743 1.00 70.31 H new ATOM 0 HA VAL B 60 -3.869 18.906 -2.463 1.00 5.11 H new ATOM 0 HB VAL B 60 -4.135 17.191 -4.962 1.00 12.12 H new ATOM 0 HG11 VAL B 60 -4.512 19.268 -6.274 1.00 52.04 H new ATOM 0 HG12 VAL B 60 -5.840 18.938 -5.136 1.00 52.04 H new ATOM 0 HG13 VAL B 60 -4.635 20.191 -4.757 1.00 52.04 H new ATOM 0 HG21 VAL B 60 -2.188 18.570 -5.763 1.00 12.03 H new ATOM 0 HG22 VAL B 60 -2.167 19.418 -4.199 1.00 12.03 H new ATOM 0 HG23 VAL B 60 -1.801 17.678 -4.273 1.00 12.03 H new ATOM 2231 N GLU B 61 -6.305 18.963 -2.033 1.00 1.34 N ATOM 2232 CA GLU B 61 -7.753 19.163 -1.746 1.00 31.45 C ATOM 2233 C GLU B 61 -8.468 17.897 -1.170 1.00 23.13 C ATOM 2234 O GLU B 61 -9.655 17.659 -1.440 1.00 64.14 O ATOM 2235 CB GLU B 61 -8.458 19.707 -3.024 1.00 12.52 C ATOM 2236 CG GLU B 61 -7.752 20.933 -3.652 1.00 14.13 C ATOM 2237 CD GLU B 61 -8.494 21.509 -4.868 1.00 11.00 C ATOM 2238 OE1 GLU B 61 -8.407 20.912 -5.964 1.00 45.00 O ATOM 2239 OE2 GLU B 61 -9.156 22.562 -4.737 1.00 41.34 O ATOM 0 H GLU B 61 -5.722 19.695 -1.627 1.00 1.34 H new ATOM 0 HA GLU B 61 -7.830 19.900 -0.947 1.00 31.45 H new ATOM 0 HB2 GLU B 61 -8.511 18.910 -3.766 1.00 12.52 H new ATOM 0 HB3 GLU B 61 -9.484 19.978 -2.774 1.00 12.52 H new ATOM 0 HG2 GLU B 61 -7.651 21.711 -2.896 1.00 14.13 H new ATOM 0 HG3 GLU B 61 -6.744 20.648 -3.953 1.00 14.13 H new ATOM 2246 N GLY B 62 -7.735 17.118 -0.348 1.00 51.32 N ATOM 2247 CA GLY B 62 -8.290 15.930 0.335 1.00 1.15 C ATOM 2248 C GLY B 62 -8.159 14.606 -0.446 1.00 24.04 C ATOM 2249 O GLY B 62 -8.681 13.576 -0.008 1.00 71.43 O ATOM 0 H GLY B 62 -6.752 17.292 -0.140 1.00 51.32 H new ATOM 0 HA2 GLY B 62 -7.791 15.817 1.297 1.00 1.15 H new ATOM 0 HA3 GLY B 62 -9.345 16.109 0.542 1.00 1.15 H new ATOM 2253 N GLU B 63 -7.479 14.635 -1.607 1.00 21.25 N ATOM 2254 CA GLU B 63 -7.159 13.420 -2.410 1.00 14.44 C ATOM 2255 C GLU B 63 -5.638 13.234 -2.575 1.00 63.42 C ATOM 2256 O GLU B 63 -4.863 14.183 -2.425 1.00 71.43 O ATOM 2257 CB GLU B 63 -7.822 13.499 -3.815 1.00 14.21 C ATOM 2258 CG GLU B 63 -9.345 13.270 -3.825 1.00 63.43 C ATOM 2259 CD GLU B 63 -9.921 13.212 -5.251 1.00 24.31 C ATOM 2260 OE1 GLU B 63 -9.588 12.256 -5.991 1.00 14.04 O ATOM 2261 OE2 GLU B 63 -10.693 14.117 -5.640 1.00 54.43 O ATOM 0 H GLU B 63 -7.131 15.499 -2.023 1.00 21.25 H new ATOM 0 HA GLU B 63 -7.557 12.563 -1.867 1.00 14.44 H new ATOM 0 HB2 GLU B 63 -7.613 14.479 -4.245 1.00 14.21 H new ATOM 0 HB3 GLU B 63 -7.353 12.760 -4.464 1.00 14.21 H new ATOM 0 HG2 GLU B 63 -9.573 12.339 -3.306 1.00 63.43 H new ATOM 0 HG3 GLU B 63 -9.834 14.072 -3.271 1.00 63.43 H new ATOM 2268 N ILE B 64 -5.225 11.992 -2.888 1.00 63.54 N ATOM 2269 CA ILE B 64 -3.826 11.681 -3.248 1.00 64.23 C ATOM 2270 C ILE B 64 -3.563 12.073 -4.725 1.00 2.22 C ATOM 2271 O ILE B 64 -4.068 11.418 -5.644 1.00 74.14 O ATOM 2272 CB ILE B 64 -3.497 10.153 -3.038 1.00 32.24 C ATOM 2273 CG1 ILE B 64 -3.838 9.701 -1.580 1.00 24.01 C ATOM 2274 CG2 ILE B 64 -2.013 9.849 -3.385 1.00 12.33 C ATOM 2275 CD1 ILE B 64 -3.613 8.217 -1.300 1.00 51.40 C ATOM 0 H ILE B 64 -5.844 11.181 -2.899 1.00 63.54 H new ATOM 0 HA ILE B 64 -3.177 12.259 -2.590 1.00 64.23 H new ATOM 0 HB ILE B 64 -4.123 9.579 -3.721 1.00 32.24 H new ATOM 0 HG12 ILE B 64 -3.234 10.283 -0.884 1.00 24.01 H new ATOM 0 HG13 ILE B 64 -4.881 9.941 -1.375 1.00 24.01 H new ATOM 0 HG21 ILE B 64 -1.813 8.789 -3.231 1.00 12.33 H new ATOM 0 HG22 ILE B 64 -1.823 10.107 -4.427 1.00 12.33 H new ATOM 0 HG23 ILE B 64 -1.361 10.438 -2.740 1.00 12.33 H new ATOM 0 HD11 ILE B 64 -3.876 7.998 -0.265 1.00 51.40 H new ATOM 0 HD12 ILE B 64 -4.237 7.622 -1.967 1.00 51.40 H new ATOM 0 HD13 ILE B 64 -2.565 7.970 -1.468 1.00 51.40 H new ATOM 2287 N PHE B 65 -2.798 13.158 -4.937 1.00 40.14 N ATOM 2288 CA PHE B 65 -2.381 13.609 -6.287 1.00 75.42 C ATOM 2289 C PHE B 65 -0.943 13.129 -6.574 1.00 3.22 C ATOM 2290 O PHE B 65 -0.026 13.398 -5.794 1.00 3.44 O ATOM 2291 CB PHE B 65 -2.470 15.151 -6.398 1.00 35.33 C ATOM 2292 CG PHE B 65 -2.087 15.702 -7.777 1.00 1.41 C ATOM 2293 CD1 PHE B 65 -2.943 15.543 -8.867 1.00 62.04 C ATOM 2294 CD2 PHE B 65 -0.869 16.354 -7.990 1.00 11.33 C ATOM 2295 CE1 PHE B 65 -2.603 16.021 -10.117 1.00 41.21 C ATOM 2296 CE2 PHE B 65 -0.529 16.829 -9.245 1.00 32.24 C ATOM 2297 CZ PHE B 65 -1.397 16.662 -10.307 1.00 51.34 C ATOM 0 H PHE B 65 -2.449 13.749 -4.183 1.00 40.14 H new ATOM 0 HA PHE B 65 -3.054 13.177 -7.027 1.00 75.42 H new ATOM 0 HB2 PHE B 65 -3.488 15.463 -6.164 1.00 35.33 H new ATOM 0 HB3 PHE B 65 -1.818 15.597 -5.647 1.00 35.33 H new ATOM 0 HD1 PHE B 65 -3.888 15.037 -8.731 1.00 62.04 H new ATOM 0 HD2 PHE B 65 -0.185 16.489 -7.165 1.00 11.33 H new ATOM 0 HE1 PHE B 65 -3.282 15.893 -10.947 1.00 41.21 H new ATOM 0 HE2 PHE B 65 0.416 17.331 -9.394 1.00 32.24 H new ATOM 0 HZ PHE B 65 -1.131 17.033 -11.286 1.00 51.34 H new ATOM 2307 N VAL B 66 -0.755 12.422 -7.695 1.00 31.42 N ATOM 2308 CA VAL B 66 0.540 11.796 -8.038 1.00 2.23 C ATOM 2309 C VAL B 66 0.881 11.931 -9.556 1.00 41.32 C ATOM 2310 O VAL B 66 -0.008 11.893 -10.413 1.00 65.13 O ATOM 2311 CB VAL B 66 0.535 10.295 -7.553 1.00 5.05 C ATOM 2312 CG1 VAL B 66 -0.688 9.523 -8.080 1.00 62.22 C ATOM 2313 CG2 VAL B 66 1.841 9.574 -7.913 1.00 44.35 C ATOM 0 H VAL B 66 -1.486 12.265 -8.389 1.00 31.42 H new ATOM 0 HA VAL B 66 1.336 12.328 -7.517 1.00 2.23 H new ATOM 0 HB VAL B 66 0.462 10.319 -6.466 1.00 5.05 H new ATOM 0 HG11 VAL B 66 -0.651 8.494 -7.722 1.00 62.22 H new ATOM 0 HG12 VAL B 66 -1.601 9.999 -7.722 1.00 62.22 H new ATOM 0 HG13 VAL B 66 -0.680 9.528 -9.170 1.00 62.22 H new ATOM 0 HG21 VAL B 66 1.796 8.543 -7.561 1.00 44.35 H new ATOM 0 HG22 VAL B 66 1.975 9.583 -8.995 1.00 44.35 H new ATOM 0 HG23 VAL B 66 2.680 10.083 -7.439 1.00 44.35 H new ATOM 2323 N LYS B 67 2.194 12.100 -9.864 1.00 60.40 N ATOM 2324 CA LYS B 67 2.723 12.255 -11.257 1.00 43.52 C ATOM 2325 C LYS B 67 3.882 11.252 -11.494 1.00 54.24 C ATOM 2326 O LYS B 67 4.470 10.789 -10.530 1.00 11.15 O ATOM 2327 CB LYS B 67 3.263 13.702 -11.455 1.00 32.32 C ATOM 2328 CG LYS B 67 2.231 14.826 -11.211 1.00 35.51 C ATOM 2329 CD LYS B 67 2.826 16.239 -11.414 1.00 4.41 C ATOM 2330 CE LYS B 67 3.914 16.593 -10.381 1.00 73.10 C ATOM 2331 NZ LYS B 67 4.487 17.941 -10.626 1.00 61.55 N ATOM 0 H LYS B 67 2.924 12.134 -9.153 1.00 60.40 H new ATOM 0 HA LYS B 67 1.917 12.060 -11.964 1.00 43.52 H new ATOM 0 HB2 LYS B 67 4.107 13.853 -10.783 1.00 32.32 H new ATOM 0 HB3 LYS B 67 3.645 13.795 -12.472 1.00 32.32 H new ATOM 0 HG2 LYS B 67 1.387 14.691 -11.887 1.00 35.51 H new ATOM 0 HG3 LYS B 67 1.843 14.743 -10.196 1.00 35.51 H new ATOM 0 HD2 LYS B 67 3.249 16.308 -12.416 1.00 4.41 H new ATOM 0 HD3 LYS B 67 2.025 16.976 -11.355 1.00 4.41 H new ATOM 0 HE2 LYS B 67 3.489 16.555 -9.378 1.00 73.10 H new ATOM 0 HE3 LYS B 67 4.708 15.848 -10.419 1.00 73.10 H new ATOM 0 HZ1 LYS B 67 5.215 18.144 -9.912 1.00 61.55 H new ATOM 0 HZ2 LYS B 67 4.914 17.970 -11.574 1.00 61.55 H new ATOM 0 HZ3 LYS B 67 3.733 18.655 -10.565 1.00 61.55 H new ATOM 2345 N LEU B 68 4.242 10.946 -12.767 1.00 41.11 N ATOM 2346 CA LEU B 68 5.419 10.069 -13.075 1.00 51.22 C ATOM 2347 C LEU B 68 6.760 10.864 -12.986 1.00 11.33 C ATOM 2348 O LEU B 68 7.443 11.067 -13.997 1.00 24.10 O ATOM 2349 CB LEU B 68 5.281 9.401 -14.481 1.00 44.14 C ATOM 2350 CG LEU B 68 4.120 8.371 -14.673 1.00 0.10 C ATOM 2351 CD1 LEU B 68 4.151 7.757 -16.093 1.00 45.43 C ATOM 2352 CD2 LEU B 68 4.152 7.265 -13.594 1.00 61.33 C ATOM 0 H LEU B 68 3.747 11.285 -13.592 1.00 41.11 H new ATOM 0 HA LEU B 68 5.436 9.281 -12.322 1.00 51.22 H new ATOM 0 HB2 LEU B 68 5.156 10.192 -15.220 1.00 44.14 H new ATOM 0 HB3 LEU B 68 6.220 8.897 -14.709 1.00 44.14 H new ATOM 0 HG LEU B 68 3.182 8.914 -14.557 1.00 0.10 H new ATOM 0 HD11 LEU B 68 3.333 7.044 -16.199 1.00 45.43 H new ATOM 0 HD12 LEU B 68 4.041 8.549 -16.834 1.00 45.43 H new ATOM 0 HD13 LEU B 68 5.101 7.245 -16.247 1.00 45.43 H new ATOM 0 HD21 LEU B 68 3.330 6.569 -13.762 1.00 61.33 H new ATOM 0 HD22 LEU B 68 5.099 6.728 -13.651 1.00 61.33 H new ATOM 0 HD23 LEU B 68 4.050 7.716 -12.607 1.00 61.33 H new ATOM 2364 N VAL B 69 7.111 11.317 -11.755 1.00 13.34 N ATOM 2365 CA VAL B 69 8.293 12.201 -11.469 1.00 43.41 C ATOM 2366 C VAL B 69 8.340 13.449 -12.425 1.00 71.20 C ATOM 2367 O VAL B 69 9.393 14.039 -12.691 1.00 53.32 O ATOM 2368 CB VAL B 69 9.660 11.380 -11.468 1.00 2.03 C ATOM 2369 CG1 VAL B 69 10.853 12.194 -10.885 1.00 13.42 C ATOM 2370 CG2 VAL B 69 9.510 10.068 -10.685 1.00 74.14 C ATOM 0 H VAL B 69 6.581 11.081 -10.916 1.00 13.34 H new ATOM 0 HA VAL B 69 8.165 12.592 -10.460 1.00 43.41 H new ATOM 0 HB VAL B 69 9.883 11.164 -12.513 1.00 2.03 H new ATOM 0 HG11 VAL B 69 11.756 11.584 -10.910 1.00 13.42 H new ATOM 0 HG12 VAL B 69 11.006 13.093 -11.481 1.00 13.42 H new ATOM 0 HG13 VAL B 69 10.633 12.475 -9.855 1.00 13.42 H new ATOM 0 HG21 VAL B 69 10.456 9.526 -10.699 1.00 74.14 H new ATOM 0 HG22 VAL B 69 9.233 10.289 -9.654 1.00 74.14 H new ATOM 0 HG23 VAL B 69 8.734 9.456 -11.145 1.00 74.14 H new