USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 760 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 44 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.216 K(o=1,f=-11!) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 134:sc= -0.461 (180deg=-1.79) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 62:sc= 0.966 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0715 X(o=-0.071,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.433 X(o=-0.43,f=0.0042) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 35 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 139:sc= -2.83! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.71 X(o=-0.71,f=-0.51) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot -141:sc= 0.0184 USER MOD Single : A 58 TYR OH : rot -95:sc= 1.5 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.02 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 140:sc= -1.29 (180deg=-3.03!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0379 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.105 (180deg=0.105) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 154.930 -4.772 15.438 1.00 0.00 N ATOM 2 CA GLY A 1 153.583 -4.615 14.823 1.00 0.00 C ATOM 3 C GLY A 1 153.055 -5.913 14.245 1.00 0.00 C ATOM 4 O GLY A 1 153.016 -6.935 14.930 1.00 0.00 O ATOM 0 H1 GLY A 1 155.247 -3.857 15.818 1.00 0.00 H new ATOM 0 H2 GLY A 1 154.881 -5.469 16.208 1.00 0.00 H new ATOM 0 H3 GLY A 1 155.605 -5.099 14.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 152.885 -4.245 15.574 1.00 0.00 H new ATOM 0 HA3 GLY A 1 153.632 -3.863 14.035 1.00 0.00 H new ATOM 10 N GLU A 2 152.643 -5.873 12.980 1.00 0.00 N ATOM 11 CA GLU A 2 152.113 -7.057 12.309 1.00 0.00 C ATOM 12 C GLU A 2 150.783 -7.478 12.927 1.00 0.00 C ATOM 13 O GLU A 2 150.711 -7.786 14.117 1.00 0.00 O ATOM 14 CB GLU A 2 153.115 -8.212 12.386 1.00 0.00 C ATOM 15 CG GLU A 2 153.206 -9.026 11.105 1.00 0.00 C ATOM 16 CD GLU A 2 154.360 -8.595 10.221 1.00 0.00 C ATOM 17 OE1 GLU A 2 155.467 -8.371 10.757 1.00 0.00 O ATOM 18 OE2 GLU A 2 154.159 -8.482 8.994 1.00 0.00 O ATOM 0 H GLU A 2 152.666 -5.034 12.400 1.00 0.00 H new ATOM 0 HA GLU A 2 151.946 -6.806 11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 2 154.101 -7.811 12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 2 152.834 -8.872 13.207 1.00 0.00 H new ATOM 0 HG2 GLU A 2 153.320 -10.081 11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 2 152.273 -8.929 10.550 1.00 0.00 H new ATOM 25 N TRP A 3 149.733 -7.490 12.113 1.00 0.00 N ATOM 26 CA TRP A 3 148.408 -7.874 12.584 1.00 0.00 C ATOM 27 C TRP A 3 147.658 -8.679 11.522 1.00 0.00 C ATOM 28 O TRP A 3 147.733 -9.906 11.502 1.00 0.00 O ATOM 29 CB TRP A 3 147.606 -6.632 12.982 1.00 0.00 C ATOM 30 CG TRP A 3 147.569 -6.397 14.462 1.00 0.00 C ATOM 31 CD1 TRP A 3 147.809 -5.221 15.112 1.00 0.00 C ATOM 32 CD2 TRP A 3 147.270 -7.363 15.476 1.00 0.00 C ATOM 33 NE1 TRP A 3 147.679 -5.397 16.469 1.00 0.00 N ATOM 34 CE2 TRP A 3 147.348 -6.704 16.717 1.00 0.00 C ATOM 35 CE3 TRP A 3 146.943 -8.722 15.454 1.00 0.00 C ATOM 36 CZ2 TRP A 3 147.113 -7.357 17.924 1.00 0.00 C ATOM 37 CZ3 TRP A 3 146.711 -9.369 16.654 1.00 0.00 C ATOM 38 CH2 TRP A 3 146.795 -8.686 17.873 1.00 0.00 C ATOM 0 H TRP A 3 149.774 -7.239 11.125 1.00 0.00 H new ATOM 0 HA TRP A 3 148.530 -8.509 13.462 1.00 0.00 H new ATOM 0 HB2 TRP A 3 148.037 -5.758 12.493 1.00 0.00 H new ATOM 0 HB3 TRP A 3 146.586 -6.733 12.612 1.00 0.00 H new ATOM 0 HD1 TRP A 3 148.064 -4.288 14.630 1.00 0.00 H new ATOM 0 HE1 TRP A 3 147.808 -4.673 17.176 1.00 0.00 H new ATOM 0 HE3 TRP A 3 146.873 -9.256 14.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 147.179 -6.833 18.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 146.461 -10.420 16.651 1.00 0.00 H new ATOM 0 HH2 TRP A 3 146.605 -9.220 18.792 1.00 0.00 H new ATOM 49 N GLU A 4 146.936 -7.980 10.638 1.00 0.00 N ATOM 50 CA GLU A 4 146.171 -8.632 9.572 1.00 0.00 C ATOM 51 C GLU A 4 145.114 -7.685 9.011 1.00 0.00 C ATOM 52 O GLU A 4 144.782 -6.674 9.630 1.00 0.00 O ATOM 53 CB GLU A 4 145.497 -9.910 10.082 1.00 0.00 C ATOM 54 CG GLU A 4 146.175 -11.186 9.611 1.00 0.00 C ATOM 55 CD GLU A 4 145.838 -12.382 10.480 1.00 0.00 C ATOM 56 OE1 GLU A 4 144.731 -12.939 10.320 1.00 0.00 O ATOM 57 OE2 GLU A 4 146.680 -12.760 11.320 1.00 0.00 O ATOM 0 H GLU A 4 146.866 -6.962 10.641 1.00 0.00 H new ATOM 0 HA GLU A 4 146.870 -8.897 8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 4 145.487 -9.895 11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 4 144.458 -9.918 9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 4 145.877 -11.393 8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 4 147.255 -11.038 9.606 1.00 0.00 H new ATOM 64 N ILE A 5 144.589 -8.023 7.840 1.00 0.00 N ATOM 65 CA ILE A 5 143.569 -7.210 7.195 1.00 0.00 C ATOM 66 C ILE A 5 142.325 -7.091 8.073 1.00 0.00 C ATOM 67 O ILE A 5 142.090 -7.922 8.949 1.00 0.00 O ATOM 68 CB ILE A 5 143.176 -7.793 5.822 1.00 0.00 C ATOM 69 CG1 ILE A 5 142.254 -6.827 5.074 1.00 0.00 C ATOM 70 CG2 ILE A 5 142.508 -9.151 5.988 1.00 0.00 C ATOM 71 CD1 ILE A 5 142.861 -5.459 4.848 1.00 0.00 C ATOM 0 H ILE A 5 144.855 -8.858 7.317 1.00 0.00 H new ATOM 0 HA ILE A 5 143.995 -6.218 7.047 1.00 0.00 H new ATOM 0 HB ILE A 5 144.083 -7.928 5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 5 141.992 -7.262 4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 5 141.327 -6.715 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 5 142.238 -9.546 5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 5 143.197 -9.838 6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 5 141.610 -9.043 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 5 142.150 -4.829 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 5 143.098 -5.003 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 5 143.773 -5.558 4.259 1.00 0.00 H new ATOM 83 N ILE A 6 141.530 -6.052 7.832 1.00 0.00 N ATOM 84 CA ILE A 6 140.311 -5.828 8.600 1.00 0.00 C ATOM 85 C ILE A 6 139.078 -5.892 7.704 1.00 0.00 C ATOM 86 O ILE A 6 138.045 -6.440 8.090 1.00 0.00 O ATOM 87 CB ILE A 6 140.340 -4.464 9.316 1.00 0.00 C ATOM 88 CG1 ILE A 6 140.791 -3.366 8.352 1.00 0.00 C ATOM 89 CG2 ILE A 6 141.257 -4.524 10.528 1.00 0.00 C ATOM 90 CD1 ILE A 6 140.798 -1.984 8.971 1.00 0.00 C ATOM 0 H ILE A 6 141.709 -5.353 7.111 1.00 0.00 H new ATOM 0 HA ILE A 6 140.257 -6.621 9.346 1.00 0.00 H new ATOM 0 HB ILE A 6 139.332 -4.227 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 6 141.793 -3.599 7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 6 140.132 -3.363 7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 6 141.268 -3.554 11.024 1.00 0.00 H new ATOM 0 HG22 ILE A 6 140.894 -5.282 11.222 1.00 0.00 H new ATOM 0 HG23 ILE A 6 142.267 -4.779 10.208 1.00 0.00 H new ATOM 0 HD11 ILE A 6 141.128 -1.255 8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 6 139.792 -1.730 9.306 1.00 0.00 H new ATOM 0 HD13 ILE A 6 141.479 -1.970 9.822 1.00 0.00 H new ATOM 102 N GLU A 7 139.191 -5.328 6.505 1.00 0.00 N ATOM 103 CA GLU A 7 138.085 -5.322 5.554 1.00 0.00 C ATOM 104 C GLU A 7 138.589 -5.558 4.134 1.00 0.00 C ATOM 105 O GLU A 7 139.782 -5.766 3.916 1.00 0.00 O ATOM 106 CB GLU A 7 137.330 -3.993 5.626 1.00 0.00 C ATOM 107 CG GLU A 7 136.287 -3.945 6.730 1.00 0.00 C ATOM 108 CD GLU A 7 134.998 -3.281 6.285 1.00 0.00 C ATOM 109 OE1 GLU A 7 135.013 -2.055 6.047 1.00 0.00 O ATOM 110 OE2 GLU A 7 133.973 -3.987 6.173 1.00 0.00 O ATOM 0 H GLU A 7 140.038 -4.869 6.169 1.00 0.00 H new ATOM 0 HA GLU A 7 137.405 -6.132 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 7 138.046 -3.186 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 7 136.842 -3.809 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 7 136.072 -4.959 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 7 136.693 -3.405 7.585 1.00 0.00 H new ATOM 117 N ILE A 8 137.673 -5.526 3.171 1.00 0.00 N ATOM 118 CA ILE A 8 138.029 -5.737 1.772 1.00 0.00 C ATOM 119 C ILE A 8 137.185 -4.864 0.844 1.00 0.00 C ATOM 120 O ILE A 8 137.071 -5.142 -0.349 1.00 0.00 O ATOM 121 CB ILE A 8 137.867 -7.219 1.372 1.00 0.00 C ATOM 122 CG1 ILE A 8 138.427 -7.458 -0.032 1.00 0.00 C ATOM 123 CG2 ILE A 8 136.405 -7.637 1.446 1.00 0.00 C ATOM 124 CD1 ILE A 8 138.936 -8.867 -0.247 1.00 0.00 C ATOM 0 H ILE A 8 136.680 -5.356 3.333 1.00 0.00 H new ATOM 0 HA ILE A 8 139.076 -5.453 1.664 1.00 0.00 H new ATOM 0 HB ILE A 8 138.432 -7.830 2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 8 137.650 -7.245 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 8 139.239 -6.755 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 8 136.311 -8.685 1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 8 136.040 -7.504 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 8 135.816 -7.022 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 8 139.318 -8.965 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 8 139.736 -9.077 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 8 138.121 -9.575 -0.096 1.00 0.00 H new ATOM 136 N GLY A 9 136.596 -3.807 1.397 1.00 0.00 N ATOM 137 CA GLY A 9 135.776 -2.914 0.598 1.00 0.00 C ATOM 138 C GLY A 9 136.454 -1.578 0.348 1.00 0.00 C ATOM 139 O GLY A 9 137.311 -1.471 -0.532 1.00 0.00 O ATOM 0 H GLY A 9 136.672 -3.554 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.550 -3.389 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.825 -2.747 1.104 1.00 0.00 H new ATOM 143 N PRO A 10 136.098 -0.533 1.115 1.00 0.00 N ATOM 144 CA PRO A 10 136.698 0.796 0.963 1.00 0.00 C ATOM 145 C PRO A 10 138.193 0.777 1.250 1.00 0.00 C ATOM 146 O PRO A 10 138.962 1.538 0.662 1.00 0.00 O ATOM 147 CB PRO A 10 135.961 1.654 1.997 1.00 0.00 C ATOM 148 CG PRO A 10 135.401 0.682 2.978 1.00 0.00 C ATOM 149 CD PRO A 10 135.097 -0.564 2.195 1.00 0.00 C ATOM 0 HA PRO A 10 136.601 1.174 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 10 136.639 2.357 2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 10 135.171 2.243 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 10 136.115 0.477 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 10 134.501 1.077 3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 10 135.194 -1.459 2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 10 134.080 -0.555 1.802 1.00 0.00 H new ATOM 157 N PHE A 11 138.599 -0.107 2.159 1.00 0.00 N ATOM 158 CA PHE A 11 140.001 -0.243 2.531 1.00 0.00 C ATOM 159 C PHE A 11 140.873 -0.429 1.293 1.00 0.00 C ATOM 160 O PHE A 11 141.829 0.314 1.072 1.00 0.00 O ATOM 161 CB PHE A 11 140.177 -1.432 3.483 1.00 0.00 C ATOM 162 CG PHE A 11 141.610 -1.738 3.824 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.457 -2.303 2.884 1.00 0.00 C ATOM 164 CD2 PHE A 11 142.110 -1.459 5.086 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.772 -2.583 3.194 1.00 0.00 C ATOM 166 CE2 PHE A 11 143.425 -1.740 5.403 1.00 0.00 C ATOM 167 CZ PHE A 11 144.259 -2.302 4.454 1.00 0.00 C ATOM 0 H PHE A 11 137.971 -0.742 2.652 1.00 0.00 H new ATOM 0 HA PHE A 11 140.314 0.670 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.630 -1.230 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.725 -2.315 3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 11 142.083 -2.527 1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 11 141.464 -1.017 5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 11 144.420 -3.022 2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.801 -1.521 6.391 1.00 0.00 H new ATOM 0 HZ PHE A 11 145.288 -2.520 4.698 1.00 0.00 H new ATOM 177 N THR A 12 140.535 -1.434 0.491 1.00 0.00 N ATOM 178 CA THR A 12 141.280 -1.734 -0.722 1.00 0.00 C ATOM 179 C THR A 12 141.298 -0.533 -1.666 1.00 0.00 C ATOM 180 O THR A 12 142.362 -0.019 -2.016 1.00 0.00 O ATOM 181 CB THR A 12 140.669 -2.947 -1.426 1.00 0.00 C ATOM 182 OG1 THR A 12 139.448 -3.324 -0.811 1.00 0.00 O ATOM 183 CG2 THR A 12 141.576 -4.159 -1.421 1.00 0.00 C ATOM 0 H THR A 12 139.745 -2.056 0.663 1.00 0.00 H new ATOM 0 HA THR A 12 142.309 -1.962 -0.443 1.00 0.00 H new ATOM 0 HB THR A 12 140.511 -2.632 -2.458 1.00 0.00 H new ATOM 0 HG1 THR A 12 138.803 -2.591 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 12 141.084 -4.984 -1.936 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.508 -3.918 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 12 141.790 -4.449 -0.392 1.00 0.00 H new ATOM 191 N GLN A 13 140.113 -0.087 -2.071 1.00 0.00 N ATOM 192 CA GLN A 13 139.997 1.055 -2.971 1.00 0.00 C ATOM 193 C GLN A 13 140.753 2.259 -2.419 1.00 0.00 C ATOM 194 O GLN A 13 141.229 3.108 -3.174 1.00 0.00 O ATOM 195 CB GLN A 13 138.526 1.416 -3.183 1.00 0.00 C ATOM 196 CG GLN A 13 138.315 2.544 -4.180 1.00 0.00 C ATOM 197 CD GLN A 13 136.954 2.484 -4.849 1.00 0.00 C ATOM 198 OE1 GLN A 13 136.852 2.483 -6.076 1.00 0.00 O ATOM 199 NE2 GLN A 13 135.900 2.435 -4.041 1.00 0.00 N ATOM 0 H GLN A 13 139.222 -0.497 -1.791 1.00 0.00 H new ATOM 0 HA GLN A 13 140.438 0.778 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 13 137.989 0.532 -3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 13 138.089 1.701 -2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 13 138.423 3.501 -3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 13 139.093 2.501 -4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 13 136.032 2.438 -3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 13 134.959 2.394 -4.432 1.00 0.00 H new ATOM 208 N ASN A 14 140.861 2.323 -1.095 1.00 0.00 N ATOM 209 CA ASN A 14 141.556 3.415 -0.431 1.00 0.00 C ATOM 210 C ASN A 14 142.977 3.553 -0.947 1.00 0.00 C ATOM 211 O ASN A 14 143.320 4.556 -1.576 1.00 0.00 O ATOM 212 CB ASN A 14 141.568 3.189 1.081 1.00 0.00 C ATOM 213 CG ASN A 14 141.063 4.394 1.851 1.00 0.00 C ATOM 214 OD1 ASN A 14 140.203 4.273 2.723 1.00 0.00 O ATOM 215 ND2 ASN A 14 141.596 5.568 1.531 1.00 0.00 N ATOM 0 H ASN A 14 140.473 1.626 -0.460 1.00 0.00 H new ATOM 0 HA ASN A 14 141.022 4.339 -0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 14 140.951 2.323 1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 14 142.583 2.955 1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 14 141.295 6.414 2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 14 142.307 5.624 0.801 1.00 0.00 H new ATOM 222 N LEU A 15 143.805 2.545 -0.691 1.00 0.00 N ATOM 223 CA LEU A 15 145.185 2.582 -1.154 1.00 0.00 C ATOM 224 C LEU A 15 145.219 2.912 -2.639 1.00 0.00 C ATOM 225 O LEU A 15 146.183 3.494 -3.135 1.00 0.00 O ATOM 226 CB LEU A 15 145.892 1.254 -0.879 1.00 0.00 C ATOM 227 CG LEU A 15 147.349 1.375 -0.422 1.00 0.00 C ATOM 228 CD1 LEU A 15 148.247 1.687 -1.609 1.00 0.00 C ATOM 229 CD2 LEU A 15 147.490 2.441 0.658 1.00 0.00 C ATOM 0 H LEU A 15 143.548 1.705 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 15 145.717 3.359 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 15 145.332 0.713 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.861 0.649 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 15 147.659 0.421 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 15 149.280 1.771 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 15 148.169 0.886 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 15 147.936 2.628 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 15 148.533 2.510 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 15 147.164 3.404 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 15 146.874 2.173 1.516 1.00 0.00 H new ATOM 241 N GLY A 16 144.142 2.561 -3.341 1.00 0.00 N ATOM 242 CA GLY A 16 144.057 2.861 -4.753 1.00 0.00 C ATOM 243 C GLY A 16 144.166 4.351 -5.002 1.00 0.00 C ATOM 244 O GLY A 16 144.845 4.784 -5.936 1.00 0.00 O ATOM 0 H GLY A 16 143.332 2.076 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 16 144.852 2.341 -5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 16 143.112 2.491 -5.150 1.00 0.00 H new ATOM 248 N LYS A 17 143.516 5.142 -4.148 1.00 0.00 N ATOM 249 CA LYS A 17 143.570 6.592 -4.275 1.00 0.00 C ATOM 250 C LYS A 17 145.002 7.073 -4.068 1.00 0.00 C ATOM 251 O LYS A 17 145.560 7.793 -4.899 1.00 0.00 O ATOM 252 CB LYS A 17 142.639 7.257 -3.257 1.00 0.00 C ATOM 253 CG LYS A 17 141.919 8.479 -3.800 1.00 0.00 C ATOM 254 CD LYS A 17 140.500 8.144 -4.231 1.00 0.00 C ATOM 255 CE LYS A 17 139.614 9.378 -4.234 1.00 0.00 C ATOM 256 NZ LYS A 17 138.417 9.200 -5.101 1.00 0.00 N ATOM 0 H LYS A 17 142.952 4.804 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 17 143.238 6.869 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 17 141.900 6.529 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 17 143.220 7.547 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 17 141.894 9.257 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 17 142.473 8.882 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 17 140.516 7.703 -5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 17 140.081 7.396 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 17 139.295 9.598 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 17 140.189 10.237 -4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.839 10.064 -5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.721 9.015 -6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 137.854 8.396 -4.755 1.00 0.00 H new ATOM 270 N PHE A 18 145.598 6.649 -2.958 1.00 0.00 N ATOM 271 CA PHE A 18 146.973 7.014 -2.641 1.00 0.00 C ATOM 272 C PHE A 18 147.942 6.364 -3.623 1.00 0.00 C ATOM 273 O PHE A 18 149.101 6.764 -3.726 1.00 0.00 O ATOM 274 CB PHE A 18 147.317 6.598 -1.209 1.00 0.00 C ATOM 275 CG PHE A 18 147.884 7.714 -0.376 1.00 0.00 C ATOM 276 CD1 PHE A 18 148.866 8.548 -0.887 1.00 0.00 C ATOM 277 CD2 PHE A 18 147.435 7.925 0.917 1.00 0.00 C ATOM 278 CE1 PHE A 18 149.389 9.572 -0.121 1.00 0.00 C ATOM 279 CE2 PHE A 18 147.955 8.948 1.687 1.00 0.00 C ATOM 280 CZ PHE A 18 148.933 9.772 1.167 1.00 0.00 C ATOM 0 H PHE A 18 145.149 6.052 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 18 147.068 8.097 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 18 146.418 6.216 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 18 148.035 5.779 -1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 18 149.226 8.396 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 18 146.670 7.283 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 18 150.154 10.216 -0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 18 147.597 9.103 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 18 149.341 10.572 1.767 1.00 0.00 H new ATOM 290 N ALA A 19 147.454 5.363 -4.344 1.00 0.00 N ATOM 291 CA ALA A 19 148.266 4.654 -5.323 1.00 0.00 C ATOM 292 C ALA A 19 148.721 5.601 -6.423 1.00 0.00 C ATOM 293 O ALA A 19 149.918 5.773 -6.652 1.00 0.00 O ATOM 294 CB ALA A 19 147.489 3.486 -5.914 1.00 0.00 C ATOM 0 H ALA A 19 146.495 5.023 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 19 149.149 4.261 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 19 148.111 2.967 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 19 147.210 2.795 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 19 146.589 3.858 -6.404 1.00 0.00 H new ATOM 300 N VAL A 20 147.760 6.223 -7.093 1.00 0.00 N ATOM 301 CA VAL A 20 148.068 7.165 -8.160 1.00 0.00 C ATOM 302 C VAL A 20 148.812 8.375 -7.607 1.00 0.00 C ATOM 303 O VAL A 20 149.618 8.994 -8.302 1.00 0.00 O ATOM 304 CB VAL A 20 146.791 7.643 -8.879 1.00 0.00 C ATOM 305 CG1 VAL A 20 147.145 8.502 -10.084 1.00 0.00 C ATOM 306 CG2 VAL A 20 145.933 6.458 -9.294 1.00 0.00 C ATOM 0 H VAL A 20 146.764 6.093 -6.917 1.00 0.00 H new ATOM 0 HA VAL A 20 148.699 6.643 -8.879 1.00 0.00 H new ATOM 0 HB VAL A 20 146.214 8.253 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 20 146.231 8.830 -10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 20 147.712 9.373 -9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.746 7.919 -10.782 1.00 0.00 H new ATOM 0 HG21 VAL A 20 145.037 6.817 -9.800 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.499 5.818 -9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.647 5.888 -8.410 1.00 0.00 H new ATOM 316 N ASP A 21 148.536 8.706 -6.349 1.00 0.00 N ATOM 317 CA ASP A 21 149.179 9.843 -5.698 1.00 0.00 C ATOM 318 C ASP A 21 150.579 9.481 -5.200 1.00 0.00 C ATOM 319 O ASP A 21 151.406 10.364 -4.971 1.00 0.00 O ATOM 320 CB ASP A 21 148.323 10.337 -4.531 1.00 0.00 C ATOM 321 CG ASP A 21 148.435 11.835 -4.328 1.00 0.00 C ATOM 322 OD1 ASP A 21 148.215 12.584 -5.302 1.00 0.00 O ATOM 323 OD2 ASP A 21 148.742 12.259 -3.194 1.00 0.00 O ATOM 0 H ASP A 21 147.872 8.203 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 21 149.277 10.639 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 147.281 10.074 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 21 148.627 9.825 -3.618 1.00 0.00 H new ATOM 328 N GLU A 22 150.839 8.187 -5.029 1.00 0.00 N ATOM 329 CA GLU A 22 152.143 7.733 -4.550 1.00 0.00 C ATOM 330 C GLU A 22 152.974 7.126 -5.682 1.00 0.00 C ATOM 331 O GLU A 22 154.200 7.061 -5.595 1.00 0.00 O ATOM 332 CB GLU A 22 151.971 6.713 -3.420 1.00 0.00 C ATOM 333 CG GLU A 22 151.484 5.350 -3.887 1.00 0.00 C ATOM 334 CD GLU A 22 150.959 4.497 -2.747 1.00 0.00 C ATOM 335 OE1 GLU A 22 149.852 4.788 -2.248 1.00 0.00 O ATOM 336 OE2 GLU A 22 151.655 3.538 -2.356 1.00 0.00 O ATOM 0 H GLU A 22 150.170 7.439 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 22 152.677 8.603 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 22 152.925 6.591 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 22 151.265 7.110 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 22 150.696 5.484 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 22 152.302 4.826 -4.382 1.00 0.00 H new ATOM 343 N GLU A 23 152.301 6.681 -6.741 1.00 0.00 N ATOM 344 CA GLU A 23 152.983 6.079 -7.883 1.00 0.00 C ATOM 345 C GLU A 23 154.095 6.985 -8.404 1.00 0.00 C ATOM 346 O GLU A 23 155.059 6.513 -9.008 1.00 0.00 O ATOM 347 CB GLU A 23 151.983 5.787 -9.005 1.00 0.00 C ATOM 348 CG GLU A 23 152.239 4.472 -9.722 1.00 0.00 C ATOM 349 CD GLU A 23 151.166 4.145 -10.741 1.00 0.00 C ATOM 350 OE1 GLU A 23 150.457 5.075 -11.176 1.00 0.00 O ATOM 351 OE2 GLU A 23 151.035 2.956 -11.105 1.00 0.00 O ATOM 0 H GLU A 23 151.286 6.726 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 23 153.432 5.144 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.976 5.774 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 23 152.017 6.599 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 23 153.207 4.517 -10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 23 152.296 3.668 -8.989 1.00 0.00 H new ATOM 358 N ASN A 24 153.954 8.285 -8.170 1.00 0.00 N ATOM 359 CA ASN A 24 154.947 9.255 -8.619 1.00 0.00 C ATOM 360 C ASN A 24 156.153 9.308 -7.680 1.00 0.00 C ATOM 361 O ASN A 24 157.089 10.073 -7.911 1.00 0.00 O ATOM 362 CB ASN A 24 154.314 10.642 -8.731 1.00 0.00 C ATOM 363 CG ASN A 24 153.461 10.791 -9.976 1.00 0.00 C ATOM 364 OD1 ASN A 24 153.757 11.603 -10.852 1.00 0.00 O ATOM 365 ND2 ASN A 24 152.395 10.003 -10.060 1.00 0.00 N ATOM 0 H ASN A 24 153.162 8.692 -7.672 1.00 0.00 H new ATOM 0 HA ASN A 24 155.301 8.935 -9.599 1.00 0.00 H new ATOM 0 HB2 ASN A 24 153.701 10.831 -7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 24 155.100 11.397 -8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 24 151.784 10.057 -10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 24 152.188 9.344 -9.310 1.00 0.00 H new ATOM 372 N LYS A 25 156.132 8.496 -6.623 1.00 0.00 N ATOM 373 CA LYS A 25 157.234 8.470 -5.667 1.00 0.00 C ATOM 374 C LYS A 25 158.212 7.342 -5.990 1.00 0.00 C ATOM 375 O LYS A 25 159.287 7.582 -6.540 1.00 0.00 O ATOM 376 CB LYS A 25 156.701 8.319 -4.239 1.00 0.00 C ATOM 377 CG LYS A 25 157.701 8.735 -3.171 1.00 0.00 C ATOM 378 CD LYS A 25 157.809 7.693 -2.069 1.00 0.00 C ATOM 379 CE LYS A 25 159.132 7.802 -1.326 1.00 0.00 C ATOM 380 NZ LYS A 25 158.957 8.382 0.035 1.00 0.00 N ATOM 0 H LYS A 25 155.369 7.853 -6.410 1.00 0.00 H new ATOM 0 HA LYS A 25 157.769 9.417 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 25 155.797 8.918 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 25 156.416 7.280 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 25 158.679 8.886 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 25 157.399 9.690 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 25 156.985 7.818 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 25 157.713 6.696 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 25 159.585 6.814 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 25 159.821 8.422 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 159.881 8.440 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 158.548 9.335 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 158.320 7.777 0.591 1.00 0.00 H new ATOM 394 N ILE A 26 157.837 6.111 -5.648 1.00 0.00 N ATOM 395 CA ILE A 26 158.683 4.951 -5.904 1.00 0.00 C ATOM 396 C ILE A 26 159.191 4.936 -7.345 1.00 0.00 C ATOM 397 O ILE A 26 160.364 4.661 -7.597 1.00 0.00 O ATOM 398 CB ILE A 26 157.925 3.640 -5.609 1.00 0.00 C ATOM 399 CG1 ILE A 26 158.895 2.458 -5.535 1.00 0.00 C ATOM 400 CG2 ILE A 26 156.847 3.385 -6.655 1.00 0.00 C ATOM 401 CD1 ILE A 26 160.040 2.672 -4.566 1.00 0.00 C ATOM 0 H ILE A 26 156.951 5.893 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 26 159.540 5.025 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 26 157.437 3.745 -4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 26 158.344 1.565 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 26 159.301 2.270 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 26 156.328 2.455 -6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 26 156.134 4.209 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 26 157.307 3.308 -7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 26 160.686 1.794 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 26 160.616 3.546 -4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 26 159.643 2.830 -3.563 1.00 0.00 H new ATOM 413 N GLY A 27 158.300 5.229 -8.285 1.00 0.00 N ATOM 414 CA GLY A 27 158.676 5.244 -9.686 1.00 0.00 C ATOM 415 C GLY A 27 158.929 6.644 -10.207 1.00 0.00 C ATOM 416 O GLY A 27 158.872 7.615 -9.451 1.00 0.00 O ATOM 0 H GLY A 27 157.323 5.457 -8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 27 159.574 4.641 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 27 157.886 4.778 -10.275 1.00 0.00 H new ATOM 420 N GLN A 28 159.211 6.748 -11.501 1.00 0.00 N ATOM 421 CA GLN A 28 159.474 8.040 -12.125 1.00 0.00 C ATOM 422 C GLN A 28 158.182 8.830 -12.300 1.00 0.00 C ATOM 423 O GLN A 28 158.097 9.993 -11.908 1.00 0.00 O ATOM 424 CB GLN A 28 160.153 7.843 -13.482 1.00 0.00 C ATOM 425 CG GLN A 28 161.025 9.014 -13.902 1.00 0.00 C ATOM 426 CD GLN A 28 161.663 8.804 -15.261 1.00 0.00 C ATOM 427 OE1 GLN A 28 162.888 8.782 -15.388 1.00 0.00 O ATOM 428 NE2 GLN A 28 160.834 8.648 -16.286 1.00 0.00 N ATOM 0 H GLN A 28 159.263 5.953 -12.138 1.00 0.00 H new ATOM 0 HA GLN A 28 160.139 8.605 -11.472 1.00 0.00 H new ATOM 0 HB2 GLN A 28 160.764 6.941 -13.446 1.00 0.00 H new ATOM 0 HB3 GLN A 28 159.388 7.680 -14.241 1.00 0.00 H new ATOM 0 HG2 GLN A 28 160.423 9.922 -13.923 1.00 0.00 H new ATOM 0 HG3 GLN A 28 161.806 9.167 -13.157 1.00 0.00 H new ATOM 0 HE21 GLN A 28 159.826 8.673 -16.135 1.00 0.00 H new ATOM 0 HE22 GLN A 28 161.205 8.503 -17.225 1.00 0.00 H new ATOM 437 N TYR A 29 157.179 8.188 -12.891 1.00 0.00 N ATOM 438 CA TYR A 29 155.890 8.829 -13.118 1.00 0.00 C ATOM 439 C TYR A 29 154.751 7.826 -12.963 1.00 0.00 C ATOM 440 O TYR A 29 154.901 6.648 -13.288 1.00 0.00 O ATOM 441 CB TYR A 29 155.849 9.462 -14.511 1.00 0.00 C ATOM 442 CG TYR A 29 155.585 10.951 -14.493 1.00 0.00 C ATOM 443 CD1 TYR A 29 154.345 11.451 -14.119 1.00 0.00 C ATOM 444 CD2 TYR A 29 156.579 11.855 -14.850 1.00 0.00 C ATOM 445 CE1 TYR A 29 154.101 12.811 -14.102 1.00 0.00 C ATOM 446 CE2 TYR A 29 156.341 13.217 -14.835 1.00 0.00 C ATOM 447 CZ TYR A 29 155.101 13.689 -14.460 1.00 0.00 C ATOM 448 OH TYR A 29 154.862 15.044 -14.444 1.00 0.00 O ATOM 0 H TYR A 29 157.235 7.224 -13.221 1.00 0.00 H new ATOM 0 HA TYR A 29 155.763 9.612 -12.370 1.00 0.00 H new ATOM 0 HB2 TYR A 29 156.798 9.276 -15.013 1.00 0.00 H new ATOM 0 HB3 TYR A 29 155.075 8.971 -15.101 1.00 0.00 H new ATOM 0 HD1 TYR A 29 153.559 10.766 -13.837 1.00 0.00 H new ATOM 0 HD2 TYR A 29 157.551 11.488 -15.143 1.00 0.00 H new ATOM 0 HE1 TYR A 29 153.131 13.184 -13.809 1.00 0.00 H new ATOM 0 HE2 TYR A 29 157.122 13.908 -15.116 1.00 0.00 H new ATOM 0 HH TYR A 29 155.671 15.522 -14.722 1.00 0.00 H new ATOM 458 N GLY A 30 153.615 8.298 -12.465 1.00 0.00 N ATOM 459 CA GLY A 30 152.468 7.428 -12.275 1.00 0.00 C ATOM 460 C GLY A 30 151.509 7.464 -13.448 1.00 0.00 C ATOM 461 O GLY A 30 151.624 8.320 -14.327 1.00 0.00 O ATOM 0 H GLY A 30 153.466 9.269 -12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 30 152.813 6.405 -12.124 1.00 0.00 H new ATOM 0 HA3 GLY A 30 151.939 7.723 -11.369 1.00 0.00 H new ATOM 465 N ARG A 31 150.560 6.534 -13.463 1.00 0.00 N ATOM 466 CA ARG A 31 149.576 6.461 -14.536 1.00 0.00 C ATOM 467 C ARG A 31 148.193 6.132 -13.983 1.00 0.00 C ATOM 468 O ARG A 31 148.024 5.948 -12.778 1.00 0.00 O ATOM 469 CB ARG A 31 149.993 5.410 -15.568 1.00 0.00 C ATOM 470 CG ARG A 31 150.604 6.003 -16.827 1.00 0.00 C ATOM 471 CD ARG A 31 149.590 6.078 -17.958 1.00 0.00 C ATOM 472 NE ARG A 31 149.947 7.093 -18.946 1.00 0.00 N ATOM 473 CZ ARG A 31 149.786 8.400 -18.756 1.00 0.00 C ATOM 474 NH1 ARG A 31 149.277 8.855 -17.618 1.00 0.00 N ATOM 475 NH2 ARG A 31 150.137 9.256 -19.706 1.00 0.00 N ATOM 0 H ARG A 31 150.452 5.820 -12.743 1.00 0.00 H new ATOM 0 HA ARG A 31 149.529 7.436 -15.022 1.00 0.00 H new ATOM 0 HB2 ARG A 31 150.711 4.729 -15.111 1.00 0.00 H new ATOM 0 HB3 ARG A 31 149.121 4.816 -15.842 1.00 0.00 H new ATOM 0 HG2 ARG A 31 150.985 7.001 -16.612 1.00 0.00 H new ATOM 0 HG3 ARG A 31 151.455 5.398 -17.140 1.00 0.00 H new ATOM 0 HD2 ARG A 31 149.519 5.106 -18.446 1.00 0.00 H new ATOM 0 HD3 ARG A 31 148.605 6.302 -17.548 1.00 0.00 H new ATOM 0 HE ARG A 31 150.343 6.782 -19.833 1.00 0.00 H new ATOM 0 HH11 ARG A 31 149.007 8.202 -16.883 1.00 0.00 H new ATOM 0 HH12 ARG A 31 149.156 9.858 -17.478 1.00 0.00 H new ATOM 0 HH21 ARG A 31 150.530 8.912 -20.582 1.00 0.00 H new ATOM 0 HH22 ARG A 31 150.014 10.258 -19.561 1.00 0.00 H new ATOM 489 N LEU A 32 147.208 6.058 -14.871 1.00 0.00 N ATOM 490 CA LEU A 32 145.840 5.748 -14.470 1.00 0.00 C ATOM 491 C LEU A 32 145.720 4.295 -14.021 1.00 0.00 C ATOM 492 O LEU A 32 145.493 3.400 -14.834 1.00 0.00 O ATOM 493 CB LEU A 32 144.874 6.022 -15.628 1.00 0.00 C ATOM 494 CG LEU A 32 143.771 7.038 -15.323 1.00 0.00 C ATOM 495 CD1 LEU A 32 144.250 8.451 -15.615 1.00 0.00 C ATOM 496 CD2 LEU A 32 142.519 6.720 -16.126 1.00 0.00 C ATOM 0 H LEU A 32 147.331 6.208 -15.872 1.00 0.00 H new ATOM 0 HA LEU A 32 145.578 6.390 -13.629 1.00 0.00 H new ATOM 0 HB2 LEU A 32 145.448 6.377 -16.484 1.00 0.00 H new ATOM 0 HB3 LEU A 32 144.409 5.082 -15.924 1.00 0.00 H new ATOM 0 HG LEU A 32 143.526 6.973 -14.263 1.00 0.00 H new ATOM 0 HD11 LEU A 32 143.452 9.159 -15.392 1.00 0.00 H new ATOM 0 HD12 LEU A 32 145.118 8.676 -14.996 1.00 0.00 H new ATOM 0 HD13 LEU A 32 144.524 8.532 -16.667 1.00 0.00 H new ATOM 0 HD21 LEU A 32 141.744 7.452 -15.897 1.00 0.00 H new ATOM 0 HD22 LEU A 32 142.750 6.757 -17.191 1.00 0.00 H new ATOM 0 HD23 LEU A 32 142.164 5.723 -15.866 1.00 0.00 H new ATOM 508 N THR A 33 145.876 4.069 -12.719 1.00 0.00 N ATOM 509 CA THR A 33 145.787 2.724 -12.162 1.00 0.00 C ATOM 510 C THR A 33 144.575 2.595 -11.241 1.00 0.00 C ATOM 511 O THR A 33 144.624 1.892 -10.232 1.00 0.00 O ATOM 512 CB THR A 33 147.067 2.382 -11.394 1.00 0.00 C ATOM 513 OG1 THR A 33 147.114 1.000 -11.088 1.00 0.00 O ATOM 514 CG2 THR A 33 147.214 3.145 -10.093 1.00 0.00 C ATOM 0 H THR A 33 146.064 4.799 -12.032 1.00 0.00 H new ATOM 0 HA THR A 33 145.669 2.022 -12.987 1.00 0.00 H new ATOM 0 HB THR A 33 147.883 2.670 -12.057 1.00 0.00 H new ATOM 0 HG1 THR A 33 147.940 0.801 -10.599 1.00 0.00 H new ATOM 0 HG21 THR A 33 148.143 2.853 -9.603 1.00 0.00 H new ATOM 0 HG22 THR A 33 147.234 4.215 -10.299 1.00 0.00 H new ATOM 0 HG23 THR A 33 146.372 2.917 -9.440 1.00 0.00 H new ATOM 522 N PHE A 34 143.493 3.282 -11.591 1.00 0.00 N ATOM 523 CA PHE A 34 142.276 3.247 -10.790 1.00 0.00 C ATOM 524 C PHE A 34 141.199 2.389 -11.447 1.00 0.00 C ATOM 525 O PHE A 34 140.006 2.614 -11.242 1.00 0.00 O ATOM 526 CB PHE A 34 141.749 4.667 -10.568 1.00 0.00 C ATOM 527 CG PHE A 34 141.320 4.935 -9.154 1.00 0.00 C ATOM 528 CD1 PHE A 34 140.420 4.095 -8.517 1.00 0.00 C ATOM 529 CD2 PHE A 34 141.816 6.028 -8.460 1.00 0.00 C ATOM 530 CE1 PHE A 34 140.023 4.341 -7.215 1.00 0.00 C ATOM 531 CE2 PHE A 34 141.424 6.279 -7.159 1.00 0.00 C ATOM 532 CZ PHE A 34 140.527 5.433 -6.535 1.00 0.00 C ATOM 0 H PHE A 34 143.434 3.869 -12.423 1.00 0.00 H new ATOM 0 HA PHE A 34 142.524 2.799 -9.828 1.00 0.00 H new ATOM 0 HB2 PHE A 34 142.525 5.381 -10.845 1.00 0.00 H new ATOM 0 HB3 PHE A 34 140.904 4.840 -11.234 1.00 0.00 H new ATOM 0 HD1 PHE A 34 140.024 3.239 -9.043 1.00 0.00 H new ATOM 0 HD2 PHE A 34 142.518 6.692 -8.943 1.00 0.00 H new ATOM 0 HE1 PHE A 34 139.320 3.680 -6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 34 141.818 7.135 -6.631 1.00 0.00 H new ATOM 0 HZ PHE A 34 140.220 5.625 -5.517 1.00 0.00 H new ATOM 542 N ASN A 35 141.619 1.403 -12.237 1.00 0.00 N ATOM 543 CA ASN A 35 140.675 0.520 -12.912 1.00 0.00 C ATOM 544 C ASN A 35 139.999 -0.415 -11.914 1.00 0.00 C ATOM 545 O ASN A 35 138.782 -0.372 -11.737 1.00 0.00 O ATOM 546 CB ASN A 35 141.389 -0.296 -13.990 1.00 0.00 C ATOM 547 CG ASN A 35 140.420 -0.964 -14.947 1.00 0.00 C ATOM 548 OD1 ASN A 35 140.478 -2.174 -15.164 1.00 0.00 O ATOM 549 ND2 ASN A 35 139.521 -0.176 -15.526 1.00 0.00 N ATOM 0 H ASN A 35 142.600 1.197 -12.424 1.00 0.00 H new ATOM 0 HA ASN A 35 139.909 1.137 -13.382 1.00 0.00 H new ATOM 0 HB2 ASN A 35 142.058 0.356 -14.551 1.00 0.00 H new ATOM 0 HB3 ASN A 35 142.009 -1.057 -13.515 1.00 0.00 H new ATOM 0 HD21 ASN A 35 138.843 -0.569 -16.179 1.00 0.00 H new ATOM 0 HD22 ASN A 35 139.508 0.822 -15.318 1.00 0.00 H new ATOM 556 N LYS A 36 140.795 -1.262 -11.267 1.00 0.00 N ATOM 557 CA LYS A 36 140.268 -2.205 -10.287 1.00 0.00 C ATOM 558 C LYS A 36 141.231 -2.374 -9.115 1.00 0.00 C ATOM 559 O LYS A 36 141.803 -3.446 -8.918 1.00 0.00 O ATOM 560 CB LYS A 36 140.000 -3.560 -10.949 1.00 0.00 C ATOM 561 CG LYS A 36 138.556 -3.747 -11.388 1.00 0.00 C ATOM 562 CD LYS A 36 138.429 -4.847 -12.430 1.00 0.00 C ATOM 563 CE LYS A 36 137.155 -4.698 -13.248 1.00 0.00 C ATOM 564 NZ LYS A 36 136.412 -5.983 -13.359 1.00 0.00 N ATOM 0 H LYS A 36 141.804 -1.314 -11.404 1.00 0.00 H new ATOM 0 HA LYS A 36 139.330 -1.805 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 36 140.652 -3.667 -11.816 1.00 0.00 H new ATOM 0 HB3 LYS A 36 140.265 -4.355 -10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 36 137.940 -3.991 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 36 138.175 -2.811 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 36 139.293 -4.822 -13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 36 138.434 -5.819 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 36 136.514 -3.947 -12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 36 137.404 -4.336 -14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 135.551 -5.838 -13.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 137.014 -6.693 -13.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 136.151 -6.316 -12.409 1.00 0.00 H new ATOM 578 N VAL A 37 141.406 -1.311 -8.340 1.00 0.00 N ATOM 579 CA VAL A 37 142.298 -1.348 -7.186 1.00 0.00 C ATOM 580 C VAL A 37 141.647 -2.077 -6.018 1.00 0.00 C ATOM 581 O VAL A 37 140.830 -1.506 -5.300 1.00 0.00 O ATOM 582 CB VAL A 37 142.692 0.069 -6.732 1.00 0.00 C ATOM 583 CG1 VAL A 37 143.773 0.008 -5.661 1.00 0.00 C ATOM 584 CG2 VAL A 37 143.147 0.905 -7.919 1.00 0.00 C ATOM 0 H VAL A 37 140.944 -0.414 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 37 143.195 -1.884 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 37 141.814 0.548 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 37 144.038 1.020 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 37 143.401 -0.548 -4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 37 144.655 -0.492 -6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 37 143.421 1.903 -7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 37 144.010 0.432 -8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 37 142.336 0.980 -8.644 1.00 0.00 H new ATOM 594 N ILE A 38 142.015 -3.343 -5.833 1.00 0.00 N ATOM 595 CA ILE A 38 141.461 -4.147 -4.749 1.00 0.00 C ATOM 596 C ILE A 38 142.340 -5.378 -4.479 1.00 0.00 C ATOM 597 O ILE A 38 143.463 -5.244 -3.986 1.00 0.00 O ATOM 598 CB ILE A 38 140.006 -4.578 -5.058 1.00 0.00 C ATOM 599 CG1 ILE A 38 139.864 -4.989 -6.525 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.033 -3.455 -4.728 1.00 0.00 C ATOM 601 CD1 ILE A 38 138.705 -5.926 -6.781 1.00 0.00 C ATOM 0 H ILE A 38 142.692 -3.832 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 38 141.447 -3.529 -3.852 1.00 0.00 H new ATOM 0 HB ILE A 38 139.767 -5.439 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 38 139.738 -4.094 -7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 38 140.787 -5.469 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.016 -3.777 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 38 139.110 -3.206 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.275 -2.576 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 38 138.666 -6.175 -7.841 1.00 0.00 H new ATOM 0 HD12 ILE A 38 138.839 -6.838 -6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 38 137.774 -5.442 -6.487 1.00 0.00 H new ATOM 613 N LYS A 39 141.839 -6.574 -4.807 1.00 0.00 N ATOM 614 CA LYS A 39 142.593 -7.805 -4.604 1.00 0.00 C ATOM 615 C LYS A 39 142.922 -8.030 -3.130 1.00 0.00 C ATOM 616 O LYS A 39 142.818 -7.114 -2.313 1.00 0.00 O ATOM 617 CB LYS A 39 143.877 -7.770 -5.433 1.00 0.00 C ATOM 618 CG LYS A 39 143.684 -8.207 -6.877 1.00 0.00 C ATOM 619 CD LYS A 39 143.355 -9.687 -6.979 1.00 0.00 C ATOM 620 CE LYS A 39 142.755 -10.028 -8.333 1.00 0.00 C ATOM 621 NZ LYS A 39 142.269 -11.435 -8.390 1.00 0.00 N ATOM 0 H LYS A 39 140.914 -6.710 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 39 141.971 -8.638 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 39 144.280 -6.757 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 39 144.620 -8.415 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 39 142.881 -7.624 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 39 144.590 -7.996 -7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 39 144.260 -10.274 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 39 142.655 -9.961 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 39 141.928 -9.350 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 39 143.502 -9.871 -9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 141.868 -11.626 -9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 143.063 -12.084 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 141.537 -11.579 -7.665 1.00 0.00 H new ATOM 635 N PRO A 40 143.314 -9.267 -2.774 1.00 0.00 N ATOM 636 CA PRO A 40 143.654 -9.632 -1.392 1.00 0.00 C ATOM 637 C PRO A 40 144.673 -8.687 -0.765 1.00 0.00 C ATOM 638 O PRO A 40 145.878 -8.941 -0.800 1.00 0.00 O ATOM 639 CB PRO A 40 144.244 -11.036 -1.528 1.00 0.00 C ATOM 640 CG PRO A 40 143.627 -11.584 -2.767 1.00 0.00 C ATOM 641 CD PRO A 40 143.452 -10.413 -3.694 1.00 0.00 C ATOM 0 HA PRO A 40 142.784 -9.579 -0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 40 145.331 -11.003 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 40 144.006 -11.652 -0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 40 144.264 -12.346 -3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 142.669 -12.057 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 40 144.308 -10.295 -4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 40 142.572 -10.529 -4.326 1.00 0.00 H new ATOM 649 N CYS A 41 144.180 -7.597 -0.190 1.00 0.00 N ATOM 650 CA CYS A 41 145.038 -6.608 0.451 1.00 0.00 C ATOM 651 C CYS A 41 145.461 -7.067 1.845 1.00 0.00 C ATOM 652 O CYS A 41 145.307 -8.237 2.195 1.00 0.00 O ATOM 653 CB CYS A 41 144.311 -5.264 0.535 1.00 0.00 C ATOM 654 SG CYS A 41 142.933 -5.238 1.704 1.00 0.00 S ATOM 0 H CYS A 41 143.185 -7.375 -0.155 1.00 0.00 H new ATOM 0 HA CYS A 41 145.938 -6.493 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 41 145.028 -4.493 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 41 143.938 -5.003 -0.455 1.00 0.00 H new ATOM 0 HG CYS A 41 142.944 -4.117 2.363 1.00 0.00 H new ATOM 660 N MET A 42 145.994 -6.139 2.638 1.00 0.00 N ATOM 661 CA MET A 42 146.435 -6.454 3.994 1.00 0.00 C ATOM 662 C MET A 42 146.864 -5.195 4.744 1.00 0.00 C ATOM 663 O MET A 42 147.265 -4.203 4.139 1.00 0.00 O ATOM 664 CB MET A 42 147.590 -7.457 3.954 1.00 0.00 C ATOM 665 CG MET A 42 147.517 -8.512 5.045 1.00 0.00 C ATOM 666 SD MET A 42 146.593 -9.975 4.535 1.00 0.00 S ATOM 667 CE MET A 42 147.817 -11.256 4.792 1.00 0.00 C ATOM 0 H MET A 42 146.130 -5.166 2.365 1.00 0.00 H new ATOM 0 HA MET A 42 145.593 -6.896 4.526 1.00 0.00 H new ATOM 0 HB2 MET A 42 147.598 -7.951 2.982 1.00 0.00 H new ATOM 0 HB3 MET A 42 148.533 -6.917 4.045 1.00 0.00 H new ATOM 0 HG2 MET A 42 148.527 -8.806 5.329 1.00 0.00 H new ATOM 0 HG3 MET A 42 147.049 -8.082 5.931 1.00 0.00 H new ATOM 0 HE1 MET A 42 147.394 -12.223 4.520 1.00 0.00 H new ATOM 0 HE2 MET A 42 148.690 -11.054 4.172 1.00 0.00 H new ATOM 0 HE3 MET A 42 148.113 -11.272 5.841 1.00 0.00 H new ATOM 677 N LYS A 43 146.776 -5.249 6.071 1.00 0.00 N ATOM 678 CA LYS A 43 147.155 -4.122 6.919 1.00 0.00 C ATOM 679 C LYS A 43 147.799 -4.616 8.213 1.00 0.00 C ATOM 680 O LYS A 43 147.603 -5.764 8.615 1.00 0.00 O ATOM 681 CB LYS A 43 145.928 -3.273 7.254 1.00 0.00 C ATOM 682 CG LYS A 43 146.245 -1.800 7.459 1.00 0.00 C ATOM 683 CD LYS A 43 145.809 -1.318 8.834 1.00 0.00 C ATOM 684 CE LYS A 43 146.789 -0.309 9.413 1.00 0.00 C ATOM 685 NZ LYS A 43 147.365 -0.769 10.708 1.00 0.00 N ATOM 0 H LYS A 43 146.444 -6.066 6.584 1.00 0.00 H new ATOM 0 HA LYS A 43 147.876 -3.514 6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 43 145.198 -3.371 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 43 145.461 -3.665 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 43 147.316 -1.638 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 43 145.745 -1.210 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 43 144.820 -0.866 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 43 145.723 -2.170 9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 43 147.594 -0.135 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 43 146.282 0.645 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 148.394 -0.618 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 146.939 -0.229 11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 147.164 -1.781 10.837 1.00 0.00 H new ATOM 699 N LYS A 44 148.562 -3.745 8.867 1.00 0.00 N ATOM 700 CA LYS A 44 149.222 -4.105 10.117 1.00 0.00 C ATOM 701 C LYS A 44 149.848 -2.885 10.787 1.00 0.00 C ATOM 702 O LYS A 44 150.746 -2.252 10.235 1.00 0.00 O ATOM 703 CB LYS A 44 150.290 -5.171 9.869 1.00 0.00 C ATOM 704 CG LYS A 44 151.306 -4.784 8.807 1.00 0.00 C ATOM 705 CD LYS A 44 150.987 -5.431 7.468 1.00 0.00 C ATOM 706 CE LYS A 44 151.749 -6.736 7.284 1.00 0.00 C ATOM 707 NZ LYS A 44 152.868 -6.592 6.312 1.00 0.00 N ATOM 0 H LYS A 44 148.738 -2.790 8.554 1.00 0.00 H new ATOM 0 HA LYS A 44 148.463 -4.509 10.788 1.00 0.00 H new ATOM 0 HB2 LYS A 44 150.814 -5.372 10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 44 149.802 -6.099 9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 44 151.321 -3.700 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 44 152.303 -5.085 9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 44 149.916 -5.621 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 44 151.240 -4.744 6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 44 152.143 -7.065 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 44 151.065 -7.511 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 153.454 -7.451 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 152.482 -6.453 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 153.451 -5.771 6.573 1.00 0.00 H new ATOM 721 N THR A 45 149.362 -2.563 11.981 1.00 0.00 N ATOM 722 CA THR A 45 149.865 -1.426 12.731 1.00 0.00 C ATOM 723 C THR A 45 151.299 -1.665 13.197 1.00 0.00 C ATOM 724 O THR A 45 151.780 -2.799 13.203 1.00 0.00 O ATOM 725 CB THR A 45 148.964 -1.145 13.934 1.00 0.00 C ATOM 726 OG1 THR A 45 147.703 -1.770 13.776 1.00 0.00 O ATOM 727 CG2 THR A 45 148.719 0.330 14.167 1.00 0.00 C ATOM 0 H THR A 45 148.617 -3.079 12.449 1.00 0.00 H new ATOM 0 HA THR A 45 149.861 -0.559 12.071 1.00 0.00 H new ATOM 0 HB THR A 45 149.499 -1.549 14.794 1.00 0.00 H new ATOM 0 HG1 THR A 45 147.143 -1.579 14.557 1.00 0.00 H new ATOM 0 HG21 THR A 45 148.072 0.459 15.035 1.00 0.00 H new ATOM 0 HG22 THR A 45 149.669 0.833 14.345 1.00 0.00 H new ATOM 0 HG23 THR A 45 148.238 0.762 13.289 1.00 0.00 H new ATOM 735 N ILE A 46 151.975 -0.588 13.587 1.00 0.00 N ATOM 736 CA ILE A 46 153.353 -0.679 14.058 1.00 0.00 C ATOM 737 C ILE A 46 153.552 0.144 15.329 1.00 0.00 C ATOM 738 O ILE A 46 154.334 1.094 15.348 1.00 0.00 O ATOM 739 CB ILE A 46 154.349 -0.194 12.990 1.00 0.00 C ATOM 740 CG1 ILE A 46 154.056 -0.861 11.647 1.00 0.00 C ATOM 741 CG2 ILE A 46 155.778 -0.475 13.431 1.00 0.00 C ATOM 742 CD1 ILE A 46 153.273 0.019 10.702 1.00 0.00 C ATOM 0 H ILE A 46 151.591 0.357 13.586 1.00 0.00 H new ATOM 0 HA ILE A 46 153.545 -1.731 14.270 1.00 0.00 H new ATOM 0 HB ILE A 46 154.234 0.883 12.869 1.00 0.00 H new ATOM 0 HG12 ILE A 46 154.998 -1.142 11.175 1.00 0.00 H new ATOM 0 HG13 ILE A 46 153.499 -1.782 11.820 1.00 0.00 H new ATOM 0 HG21 ILE A 46 156.470 -0.126 12.665 1.00 0.00 H new ATOM 0 HG22 ILE A 46 155.979 0.047 14.367 1.00 0.00 H new ATOM 0 HG23 ILE A 46 155.909 -1.547 13.578 1.00 0.00 H new ATOM 0 HD11 ILE A 46 153.099 -0.515 9.768 1.00 0.00 H new ATOM 0 HD12 ILE A 46 152.316 0.279 11.155 1.00 0.00 H new ATOM 0 HD13 ILE A 46 153.838 0.929 10.500 1.00 0.00 H new ATOM 754 N TYR A 47 152.842 -0.227 16.387 1.00 0.00 N ATOM 755 CA TYR A 47 152.945 0.481 17.658 1.00 0.00 C ATOM 756 C TYR A 47 154.115 -0.040 18.484 1.00 0.00 C ATOM 757 O TYR A 47 154.446 -1.226 18.437 1.00 0.00 O ATOM 758 CB TYR A 47 151.642 0.348 18.450 1.00 0.00 C ATOM 759 CG TYR A 47 151.333 -1.069 18.877 1.00 0.00 C ATOM 760 CD1 TYR A 47 150.683 -1.948 18.020 1.00 0.00 C ATOM 761 CD2 TYR A 47 151.691 -1.529 20.138 1.00 0.00 C ATOM 762 CE1 TYR A 47 150.398 -3.244 18.407 1.00 0.00 C ATOM 763 CE2 TYR A 47 151.411 -2.823 20.532 1.00 0.00 C ATOM 764 CZ TYR A 47 150.764 -3.676 19.664 1.00 0.00 C ATOM 765 OH TYR A 47 150.483 -4.966 20.052 1.00 0.00 O ATOM 0 H TYR A 47 152.190 -1.012 16.391 1.00 0.00 H new ATOM 0 HA TYR A 47 153.123 1.534 17.441 1.00 0.00 H new ATOM 0 HB2 TYR A 47 151.699 0.981 19.336 1.00 0.00 H new ATOM 0 HB3 TYR A 47 150.818 0.723 17.843 1.00 0.00 H new ATOM 0 HD1 TYR A 47 150.395 -1.613 17.034 1.00 0.00 H new ATOM 0 HD2 TYR A 47 152.197 -0.864 20.822 1.00 0.00 H new ATOM 0 HE1 TYR A 47 149.891 -3.914 17.728 1.00 0.00 H new ATOM 0 HE2 TYR A 47 151.698 -3.165 21.516 1.00 0.00 H new ATOM 0 HH TYR A 47 150.808 -5.111 20.965 1.00 0.00 H new ATOM 775 N GLU A 48 154.738 0.857 19.241 1.00 0.00 N ATOM 776 CA GLU A 48 155.873 0.496 20.080 1.00 0.00 C ATOM 777 C GLU A 48 155.411 -0.233 21.334 1.00 0.00 C ATOM 778 O GLU A 48 155.424 -1.462 21.398 1.00 0.00 O ATOM 779 CB GLU A 48 156.682 1.747 20.446 1.00 0.00 C ATOM 780 CG GLU A 48 157.803 1.484 21.439 1.00 0.00 C ATOM 781 CD GLU A 48 159.174 1.785 20.865 1.00 0.00 C ATOM 782 OE1 GLU A 48 159.588 2.965 20.898 1.00 0.00 O ATOM 783 OE2 GLU A 48 159.837 0.842 20.384 1.00 0.00 O ATOM 0 H GLU A 48 154.475 1.841 19.290 1.00 0.00 H new ATOM 0 HA GLU A 48 156.516 -0.181 19.517 1.00 0.00 H new ATOM 0 HB2 GLU A 48 157.107 2.172 19.537 1.00 0.00 H new ATOM 0 HB3 GLU A 48 156.008 2.495 20.863 1.00 0.00 H new ATOM 0 HG2 GLU A 48 157.645 2.092 22.329 1.00 0.00 H new ATOM 0 HG3 GLU A 48 157.766 0.441 21.755 1.00 0.00 H new ATOM 790 N ASN A 49 155.006 0.539 22.322 1.00 0.00 N ATOM 791 CA ASN A 49 154.533 -0.007 23.589 1.00 0.00 C ATOM 792 C ASN A 49 153.872 1.084 24.424 1.00 0.00 C ATOM 793 O ASN A 49 152.706 0.974 24.801 1.00 0.00 O ATOM 794 CB ASN A 49 155.691 -0.635 24.365 1.00 0.00 C ATOM 795 CG ASN A 49 155.739 -2.143 24.210 1.00 0.00 C ATOM 796 OD1 ASN A 49 156.781 -2.712 23.884 1.00 0.00 O ATOM 797 ND2 ASN A 49 154.608 -2.797 24.443 1.00 0.00 N ATOM 0 H ASN A 49 154.993 1.558 22.275 1.00 0.00 H new ATOM 0 HA ASN A 49 153.795 -0.780 23.377 1.00 0.00 H new ATOM 0 HB2 ASN A 49 156.632 -0.207 24.019 1.00 0.00 H new ATOM 0 HB3 ASN A 49 155.596 -0.384 25.421 1.00 0.00 H new ATOM 0 HD21 ASN A 49 154.579 -3.813 24.354 1.00 0.00 H new ATOM 0 HD22 ASN A 49 153.768 -2.284 24.711 1.00 0.00 H new ATOM 804 N GLU A 50 154.628 2.141 24.701 1.00 0.00 N ATOM 805 CA GLU A 50 154.121 3.260 25.482 1.00 0.00 C ATOM 806 C GLU A 50 153.716 4.408 24.564 1.00 0.00 C ATOM 807 O GLU A 50 153.871 5.580 24.909 1.00 0.00 O ATOM 808 CB GLU A 50 155.177 3.736 26.481 1.00 0.00 C ATOM 809 CG GLU A 50 154.610 4.581 27.610 1.00 0.00 C ATOM 810 CD GLU A 50 155.676 5.387 28.327 1.00 0.00 C ATOM 811 OE1 GLU A 50 156.444 6.097 27.644 1.00 0.00 O ATOM 812 OE2 GLU A 50 155.744 5.307 29.571 1.00 0.00 O ATOM 0 H GLU A 50 155.595 2.245 24.395 1.00 0.00 H new ATOM 0 HA GLU A 50 153.243 2.924 26.034 1.00 0.00 H new ATOM 0 HB2 GLU A 50 155.680 2.868 26.906 1.00 0.00 H new ATOM 0 HB3 GLU A 50 155.933 4.314 25.950 1.00 0.00 H new ATOM 0 HG2 GLU A 50 153.856 5.258 27.209 1.00 0.00 H new ATOM 0 HG3 GLU A 50 154.107 3.932 28.327 1.00 0.00 H new ATOM 819 N ARG A 51 153.203 4.059 23.386 1.00 0.00 N ATOM 820 CA ARG A 51 152.780 5.054 22.407 1.00 0.00 C ATOM 821 C ARG A 51 153.980 5.833 21.878 1.00 0.00 C ATOM 822 O ARG A 51 153.978 7.064 21.862 1.00 0.00 O ATOM 823 CB ARG A 51 151.761 6.016 23.027 1.00 0.00 C ATOM 824 CG ARG A 51 151.061 6.899 22.009 1.00 0.00 C ATOM 825 CD ARG A 51 150.053 7.823 22.673 1.00 0.00 C ATOM 826 NE ARG A 51 149.873 9.067 21.927 1.00 0.00 N ATOM 827 CZ ARG A 51 150.750 10.067 21.933 1.00 0.00 C ATOM 828 NH1 ARG A 51 151.868 9.977 22.644 1.00 0.00 N ATOM 829 NH2 ARG A 51 150.510 11.162 21.225 1.00 0.00 N ATOM 0 H ARG A 51 153.071 3.093 23.087 1.00 0.00 H new ATOM 0 HA ARG A 51 152.309 4.532 21.574 1.00 0.00 H new ATOM 0 HB2 ARG A 51 151.013 5.439 23.570 1.00 0.00 H new ATOM 0 HB3 ARG A 51 152.268 6.648 23.756 1.00 0.00 H new ATOM 0 HG2 ARG A 51 151.800 7.492 21.471 1.00 0.00 H new ATOM 0 HG3 ARG A 51 150.555 6.276 21.272 1.00 0.00 H new ATOM 0 HD2 ARG A 51 149.095 7.311 22.760 1.00 0.00 H new ATOM 0 HD3 ARG A 51 150.385 8.053 23.686 1.00 0.00 H new ATOM 0 HE ARG A 51 149.026 9.174 21.369 1.00 0.00 H new ATOM 0 HH11 ARG A 51 152.059 9.137 23.190 1.00 0.00 H new ATOM 0 HH12 ARG A 51 152.536 10.748 22.644 1.00 0.00 H new ATOM 0 HH21 ARG A 51 149.653 11.237 20.676 1.00 0.00 H new ATOM 0 HH22 ARG A 51 151.182 11.929 21.229 1.00 0.00 H new ATOM 843 N GLU A 52 155.009 5.106 21.449 1.00 0.00 N ATOM 844 CA GLU A 52 156.217 5.734 20.925 1.00 0.00 C ATOM 845 C GLU A 52 156.156 5.889 19.409 1.00 0.00 C ATOM 846 O GLU A 52 156.900 6.676 18.826 1.00 0.00 O ATOM 847 CB GLU A 52 157.455 4.924 21.324 1.00 0.00 C ATOM 848 CG GLU A 52 158.205 5.508 22.509 1.00 0.00 C ATOM 849 CD GLU A 52 159.415 6.322 22.089 1.00 0.00 C ATOM 850 OE1 GLU A 52 159.237 7.507 21.737 1.00 0.00 O ATOM 851 OE2 GLU A 52 160.536 5.774 22.112 1.00 0.00 O ATOM 0 H GLU A 52 155.030 4.086 21.454 1.00 0.00 H new ATOM 0 HA GLU A 52 156.287 6.731 21.360 1.00 0.00 H new ATOM 0 HB2 GLU A 52 157.151 3.905 21.563 1.00 0.00 H new ATOM 0 HB3 GLU A 52 158.130 4.863 20.471 1.00 0.00 H new ATOM 0 HG2 GLU A 52 157.530 6.139 23.087 1.00 0.00 H new ATOM 0 HG3 GLU A 52 158.526 4.699 23.166 1.00 0.00 H new ATOM 858 N ILE A 53 155.268 5.136 18.777 1.00 0.00 N ATOM 859 CA ILE A 53 155.113 5.197 17.326 1.00 0.00 C ATOM 860 C ILE A 53 153.655 5.013 16.906 1.00 0.00 C ATOM 861 O ILE A 53 152.921 5.988 16.744 1.00 0.00 O ATOM 862 CB ILE A 53 156.037 4.170 16.608 1.00 0.00 C ATOM 863 CG1 ILE A 53 155.571 3.904 15.170 1.00 0.00 C ATOM 864 CG2 ILE A 53 156.123 2.867 17.392 1.00 0.00 C ATOM 865 CD1 ILE A 53 156.649 3.318 14.285 1.00 0.00 C ATOM 0 H ILE A 53 154.644 4.476 19.242 1.00 0.00 H new ATOM 0 HA ILE A 53 155.422 6.195 17.013 1.00 0.00 H new ATOM 0 HB ILE A 53 157.034 4.608 16.562 1.00 0.00 H new ATOM 0 HG12 ILE A 53 154.720 3.223 15.192 1.00 0.00 H new ATOM 0 HG13 ILE A 53 155.220 4.838 14.732 1.00 0.00 H new ATOM 0 HG21 ILE A 53 156.775 2.169 16.867 1.00 0.00 H new ATOM 0 HG22 ILE A 53 156.528 3.065 18.384 1.00 0.00 H new ATOM 0 HG23 ILE A 53 155.128 2.433 17.487 1.00 0.00 H new ATOM 0 HD11 ILE A 53 156.250 3.156 13.284 1.00 0.00 H new ATOM 0 HD12 ILE A 53 157.491 4.008 14.232 1.00 0.00 H new ATOM 0 HD13 ILE A 53 156.984 2.367 14.700 1.00 0.00 H new ATOM 877 N LYS A 54 153.254 3.772 16.717 1.00 0.00 N ATOM 878 CA LYS A 54 151.891 3.451 16.295 1.00 0.00 C ATOM 879 C LYS A 54 151.706 3.749 14.808 1.00 0.00 C ATOM 880 O LYS A 54 150.861 4.558 14.425 1.00 0.00 O ATOM 881 CB LYS A 54 150.865 4.235 17.121 1.00 0.00 C ATOM 882 CG LYS A 54 149.467 3.637 17.083 1.00 0.00 C ATOM 883 CD LYS A 54 149.176 2.818 18.333 1.00 0.00 C ATOM 884 CE LYS A 54 148.173 3.516 19.237 1.00 0.00 C ATOM 885 NZ LYS A 54 148.818 4.555 20.090 1.00 0.00 N ATOM 0 H LYS A 54 153.853 2.957 16.849 1.00 0.00 H new ATOM 0 HA LYS A 54 151.728 2.386 16.463 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.203 4.281 18.156 1.00 0.00 H new ATOM 0 HB3 LYS A 54 150.823 5.260 16.754 1.00 0.00 H new ATOM 0 HG2 LYS A 54 148.731 4.436 16.991 1.00 0.00 H new ATOM 0 HG3 LYS A 54 149.364 3.005 16.201 1.00 0.00 H new ATOM 0 HD2 LYS A 54 148.790 1.840 18.046 1.00 0.00 H new ATOM 0 HD3 LYS A 54 150.103 2.647 18.881 1.00 0.00 H new ATOM 0 HE2 LYS A 54 147.396 3.978 18.628 1.00 0.00 H new ATOM 0 HE3 LYS A 54 147.683 2.778 19.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 148.099 5.006 20.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 149.542 4.111 20.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 149.264 5.274 19.485 1.00 0.00 H new ATOM 899 N GLY A 55 152.507 3.089 13.974 1.00 0.00 N ATOM 900 CA GLY A 55 152.419 3.292 12.538 1.00 0.00 C ATOM 901 C GLY A 55 151.284 2.512 11.915 1.00 0.00 C ATOM 902 O GLY A 55 150.287 2.221 12.576 1.00 0.00 O ATOM 0 H GLY A 55 153.216 2.417 14.268 1.00 0.00 H new ATOM 0 HA2 GLY A 55 152.283 4.354 12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 55 153.359 2.994 12.073 1.00 0.00 H new ATOM 906 N TYR A 56 151.437 2.163 10.643 1.00 0.00 N ATOM 907 CA TYR A 56 150.415 1.402 9.944 1.00 0.00 C ATOM 908 C TYR A 56 150.867 1.018 8.539 1.00 0.00 C ATOM 909 O TYR A 56 151.022 1.874 7.669 1.00 0.00 O ATOM 910 CB TYR A 56 149.102 2.189 9.880 1.00 0.00 C ATOM 911 CG TYR A 56 149.236 3.617 9.389 1.00 0.00 C ATOM 912 CD1 TYR A 56 149.243 3.912 8.029 1.00 0.00 C ATOM 913 CD2 TYR A 56 149.327 4.677 10.287 1.00 0.00 C ATOM 914 CE1 TYR A 56 149.340 5.216 7.582 1.00 0.00 C ATOM 915 CE2 TYR A 56 149.417 5.982 9.846 1.00 0.00 C ATOM 916 CZ TYR A 56 149.421 6.247 8.492 1.00 0.00 C ATOM 917 OH TYR A 56 149.512 7.547 8.050 1.00 0.00 O ATOM 0 H TYR A 56 152.255 2.394 10.079 1.00 0.00 H new ATOM 0 HA TYR A 56 150.248 0.484 10.507 1.00 0.00 H new ATOM 0 HB2 TYR A 56 148.409 1.659 9.226 1.00 0.00 H new ATOM 0 HB3 TYR A 56 148.655 2.203 10.874 1.00 0.00 H new ATOM 0 HD1 TYR A 56 149.171 3.108 7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 56 149.327 4.475 11.348 1.00 0.00 H new ATOM 0 HE1 TYR A 56 149.352 5.426 6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 56 149.484 6.792 10.558 1.00 0.00 H new ATOM 0 HH TYR A 56 150.138 8.043 8.618 1.00 0.00 H new ATOM 927 N GLU A 57 151.067 -0.279 8.323 1.00 0.00 N ATOM 928 CA GLU A 57 151.489 -0.778 7.022 1.00 0.00 C ATOM 929 C GLU A 57 150.281 -1.162 6.182 1.00 0.00 C ATOM 930 O GLU A 57 149.457 -1.976 6.596 1.00 0.00 O ATOM 931 CB GLU A 57 152.428 -1.976 7.177 1.00 0.00 C ATOM 932 CG GLU A 57 153.564 -1.994 6.169 1.00 0.00 C ATOM 933 CD GLU A 57 153.262 -2.865 4.967 1.00 0.00 C ATOM 934 OE1 GLU A 57 152.524 -2.402 4.073 1.00 0.00 O ATOM 935 OE2 GLU A 57 153.764 -4.008 4.919 1.00 0.00 O ATOM 0 H GLU A 57 150.943 -1.001 9.033 1.00 0.00 H new ATOM 0 HA GLU A 57 152.030 0.019 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 57 152.847 -1.971 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 57 151.850 -2.895 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 57 153.764 -0.976 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 57 154.471 -2.354 6.655 1.00 0.00 H new ATOM 942 N TYR A 58 150.176 -0.558 5.007 1.00 0.00 N ATOM 943 CA TYR A 58 149.060 -0.823 4.108 1.00 0.00 C ATOM 944 C TYR A 58 149.512 -1.614 2.883 1.00 0.00 C ATOM 945 O TYR A 58 150.274 -1.113 2.056 1.00 0.00 O ATOM 946 CB TYR A 58 148.427 0.499 3.663 1.00 0.00 C ATOM 947 CG TYR A 58 146.990 0.676 4.098 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.680 1.155 5.367 1.00 0.00 C ATOM 949 CD2 TYR A 58 145.942 0.377 3.238 1.00 0.00 C ATOM 950 CE1 TYR A 58 145.369 1.326 5.764 1.00 0.00 C ATOM 951 CE2 TYR A 58 144.627 0.548 3.626 1.00 0.00 C ATOM 952 CZ TYR A 58 144.346 1.022 4.891 1.00 0.00 C ATOM 953 OH TYR A 58 143.036 1.193 5.284 1.00 0.00 O ATOM 0 H TYR A 58 150.851 0.120 4.653 1.00 0.00 H new ATOM 0 HA TYR A 58 148.325 -1.420 4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 58 149.019 1.324 4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 58 148.476 0.565 2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 58 147.478 1.397 6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 58 146.159 0.004 2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 58 145.146 1.696 6.754 1.00 0.00 H new ATOM 0 HE2 TYR A 58 143.824 0.312 2.943 1.00 0.00 H new ATOM 0 HH TYR A 58 142.685 0.346 5.631 1.00 0.00 H new ATOM 963 N GLN A 59 149.025 -2.845 2.766 1.00 0.00 N ATOM 964 CA GLN A 59 149.363 -3.698 1.632 1.00 0.00 C ATOM 965 C GLN A 59 148.163 -3.830 0.703 1.00 0.00 C ATOM 966 O GLN A 59 147.224 -4.569 0.997 1.00 0.00 O ATOM 967 CB GLN A 59 149.803 -5.081 2.114 1.00 0.00 C ATOM 968 CG GLN A 59 150.902 -5.042 3.163 1.00 0.00 C ATOM 969 CD GLN A 59 152.067 -5.953 2.825 1.00 0.00 C ATOM 970 OE1 GLN A 59 152.543 -6.710 3.670 1.00 0.00 O ATOM 971 NE2 GLN A 59 152.532 -5.884 1.583 1.00 0.00 N ATOM 0 H GLN A 59 148.395 -3.275 3.443 1.00 0.00 H new ATOM 0 HA GLN A 59 150.189 -3.240 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 59 148.940 -5.604 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 59 150.150 -5.661 1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 59 151.264 -4.019 3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 59 150.487 -5.332 4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 59 152.107 -5.242 0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 59 153.314 -6.473 1.298 1.00 0.00 H new ATOM 980 N LEU A 60 148.186 -3.104 -0.412 1.00 0.00 N ATOM 981 CA LEU A 60 147.084 -3.145 -1.357 1.00 0.00 C ATOM 982 C LEU A 60 147.514 -3.722 -2.701 1.00 0.00 C ATOM 983 O LEU A 60 148.657 -3.544 -3.129 1.00 0.00 O ATOM 984 CB LEU A 60 146.492 -1.744 -1.550 1.00 0.00 C ATOM 985 CG LEU A 60 144.984 -1.630 -1.306 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.231 -2.688 -2.094 1.00 0.00 C ATOM 987 CD2 LEU A 60 144.672 -1.737 0.182 1.00 0.00 C ATOM 0 H LEU A 60 148.952 -2.486 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 60 146.320 -3.802 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 60 147.005 -1.055 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 60 146.704 -1.415 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 60 144.653 -0.651 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 60 143.162 -2.589 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 60 144.426 -2.557 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 60 144.564 -3.678 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 60 143.596 -1.654 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 60 145.019 -2.700 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 60 145.178 -0.934 0.718 1.00 0.00 H new ATOM 999 N TYR A 61 146.587 -4.403 -3.369 1.00 0.00 N ATOM 1000 CA TYR A 61 146.863 -4.992 -4.672 1.00 0.00 C ATOM 1001 C TYR A 61 146.114 -4.232 -5.761 1.00 0.00 C ATOM 1002 O TYR A 61 145.031 -4.637 -6.190 1.00 0.00 O ATOM 1003 CB TYR A 61 146.471 -6.470 -4.686 1.00 0.00 C ATOM 1004 CG TYR A 61 147.570 -7.397 -4.216 1.00 0.00 C ATOM 1005 CD1 TYR A 61 147.919 -7.468 -2.874 1.00 0.00 C ATOM 1006 CD2 TYR A 61 148.257 -8.202 -5.116 1.00 0.00 C ATOM 1007 CE1 TYR A 61 148.922 -8.316 -2.440 1.00 0.00 C ATOM 1008 CE2 TYR A 61 149.260 -9.053 -4.691 1.00 0.00 C ATOM 1009 CZ TYR A 61 149.589 -9.106 -3.353 1.00 0.00 C ATOM 1010 OH TYR A 61 150.587 -9.950 -2.925 1.00 0.00 O ATOM 0 H TYR A 61 145.639 -4.560 -3.028 1.00 0.00 H new ATOM 0 HA TYR A 61 147.933 -4.919 -4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 61 145.595 -6.610 -4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 61 146.181 -6.750 -5.699 1.00 0.00 H new ATOM 0 HD1 TYR A 61 147.399 -6.851 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 61 148.003 -8.162 -6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 61 149.181 -8.359 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 61 149.783 -9.673 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 61 150.955 -10.437 -3.692 1.00 0.00 H new ATOM 1020 N VAL A 62 146.695 -3.117 -6.190 1.00 0.00 N ATOM 1021 CA VAL A 62 146.091 -2.278 -7.217 1.00 0.00 C ATOM 1022 C VAL A 62 145.973 -3.017 -8.545 1.00 0.00 C ATOM 1023 O VAL A 62 146.883 -2.972 -9.374 1.00 0.00 O ATOM 1024 CB VAL A 62 146.907 -0.991 -7.433 1.00 0.00 C ATOM 1025 CG1 VAL A 62 146.146 -0.011 -8.311 1.00 0.00 C ATOM 1026 CG2 VAL A 62 147.266 -0.355 -6.098 1.00 0.00 C ATOM 0 H VAL A 62 147.589 -2.772 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 62 145.093 -2.020 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 62 147.832 -1.255 -7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 62 146.742 0.891 -8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 62 145.948 -0.469 -9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 62 145.201 0.248 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 62 147.843 0.554 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 62 146.353 -0.108 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 62 147.859 -1.055 -5.509 1.00 0.00 H new ATOM 1036 N TYR A 63 144.842 -3.689 -8.749 1.00 0.00 N ATOM 1037 CA TYR A 63 144.609 -4.423 -9.986 1.00 0.00 C ATOM 1038 C TYR A 63 144.004 -3.501 -11.040 1.00 0.00 C ATOM 1039 O TYR A 63 142.801 -3.535 -11.295 1.00 0.00 O ATOM 1040 CB TYR A 63 143.687 -5.620 -9.739 1.00 0.00 C ATOM 1041 CG TYR A 63 143.738 -6.661 -10.835 1.00 0.00 C ATOM 1042 CD1 TYR A 63 144.888 -7.407 -11.058 1.00 0.00 C ATOM 1043 CD2 TYR A 63 142.636 -6.896 -11.648 1.00 0.00 C ATOM 1044 CE1 TYR A 63 144.939 -8.357 -12.062 1.00 0.00 C ATOM 1045 CE2 TYR A 63 142.678 -7.843 -12.653 1.00 0.00 C ATOM 1046 CZ TYR A 63 143.832 -8.570 -12.856 1.00 0.00 C ATOM 1047 OH TYR A 63 143.879 -9.516 -13.855 1.00 0.00 O ATOM 0 H TYR A 63 144.077 -3.739 -8.076 1.00 0.00 H new ATOM 0 HA TYR A 63 145.566 -4.795 -10.350 1.00 0.00 H new ATOM 0 HB2 TYR A 63 143.958 -6.088 -8.793 1.00 0.00 H new ATOM 0 HB3 TYR A 63 142.662 -5.263 -9.636 1.00 0.00 H new ATOM 0 HD1 TYR A 63 145.757 -7.243 -10.437 1.00 0.00 H new ATOM 0 HD2 TYR A 63 141.731 -6.328 -11.492 1.00 0.00 H new ATOM 0 HE1 TYR A 63 145.841 -8.929 -12.223 1.00 0.00 H new ATOM 0 HE2 TYR A 63 141.812 -8.013 -13.276 1.00 0.00 H new ATOM 0 HH TYR A 63 143.017 -9.543 -14.321 1.00 0.00 H new ATOM 1057 N ALA A 64 144.849 -2.669 -11.637 1.00 0.00 N ATOM 1058 CA ALA A 64 144.402 -1.727 -12.654 1.00 0.00 C ATOM 1059 C ALA A 64 144.053 -2.438 -13.955 1.00 0.00 C ATOM 1060 O ALA A 64 144.103 -3.665 -14.039 1.00 0.00 O ATOM 1061 CB ALA A 64 145.465 -0.668 -12.896 1.00 0.00 C ATOM 0 H ALA A 64 145.848 -2.628 -11.434 1.00 0.00 H new ATOM 0 HA ALA A 64 143.497 -1.242 -12.287 1.00 0.00 H new ATOM 0 HB1 ALA A 64 145.117 0.029 -13.658 1.00 0.00 H new ATOM 0 HB2 ALA A 64 145.657 -0.127 -11.970 1.00 0.00 H new ATOM 0 HB3 ALA A 64 146.385 -1.146 -13.234 1.00 0.00 H new ATOM 1067 N SER A 65 143.694 -1.656 -14.967 1.00 0.00 N ATOM 1068 CA SER A 65 143.332 -2.205 -16.267 1.00 0.00 C ATOM 1069 C SER A 65 144.541 -2.833 -16.949 1.00 0.00 C ATOM 1070 O SER A 65 144.492 -3.983 -17.386 1.00 0.00 O ATOM 1071 CB SER A 65 142.742 -1.111 -17.159 1.00 0.00 C ATOM 1072 OG SER A 65 141.766 -1.641 -18.038 1.00 0.00 O ATOM 0 H SER A 65 143.646 -0.639 -14.911 1.00 0.00 H new ATOM 0 HA SER A 65 142.583 -2.981 -16.109 1.00 0.00 H new ATOM 0 HB2 SER A 65 142.294 -0.334 -16.539 1.00 0.00 H new ATOM 0 HB3 SER A 65 143.538 -0.639 -17.736 1.00 0.00 H new ATOM 0 HG SER A 65 141.403 -0.922 -18.596 1.00 0.00 H new ATOM 1078 N ASP A 66 145.626 -2.071 -17.039 1.00 0.00 N ATOM 1079 CA ASP A 66 146.850 -2.549 -17.669 1.00 0.00 C ATOM 1080 C ASP A 66 147.295 -3.874 -17.071 1.00 0.00 C ATOM 1081 O ASP A 66 147.597 -4.826 -17.786 1.00 0.00 O ATOM 1082 CB ASP A 66 147.961 -1.508 -17.526 1.00 0.00 C ATOM 1083 CG ASP A 66 148.667 -1.232 -18.840 1.00 0.00 C ATOM 1084 OD1 ASP A 66 149.401 -2.124 -19.318 1.00 0.00 O ATOM 1085 OD2 ASP A 66 148.488 -0.125 -19.390 1.00 0.00 O ATOM 0 H ASP A 66 145.682 -1.117 -16.682 1.00 0.00 H new ATOM 0 HA ASP A 66 146.644 -2.707 -18.728 1.00 0.00 H new ATOM 0 HB2 ASP A 66 147.538 -0.580 -17.142 1.00 0.00 H new ATOM 0 HB3 ASP A 66 148.688 -1.855 -16.792 1.00 0.00 H new ATOM 1090 N LYS A 67 147.327 -3.909 -15.754 1.00 0.00 N ATOM 1091 CA LYS A 67 147.730 -5.103 -15.015 1.00 0.00 C ATOM 1092 C LYS A 67 147.729 -4.835 -13.512 1.00 0.00 C ATOM 1093 O LYS A 67 147.308 -3.768 -13.063 1.00 0.00 O ATOM 1094 CB LYS A 67 149.122 -5.562 -15.460 1.00 0.00 C ATOM 1095 CG LYS A 67 149.090 -6.661 -16.508 1.00 0.00 C ATOM 1096 CD LYS A 67 149.696 -7.956 -15.986 1.00 0.00 C ATOM 1097 CE LYS A 67 148.818 -9.153 -16.313 1.00 0.00 C ATOM 1098 NZ LYS A 67 149.284 -10.390 -15.628 1.00 0.00 N ATOM 0 H LYS A 67 147.077 -3.117 -15.162 1.00 0.00 H new ATOM 0 HA LYS A 67 147.010 -5.893 -15.229 1.00 0.00 H new ATOM 0 HB2 LYS A 67 149.668 -4.707 -15.858 1.00 0.00 H new ATOM 0 HB3 LYS A 67 149.675 -5.916 -14.590 1.00 0.00 H new ATOM 0 HG2 LYS A 67 148.060 -6.840 -16.816 1.00 0.00 H new ATOM 0 HG3 LYS A 67 149.636 -6.335 -17.394 1.00 0.00 H new ATOM 0 HD2 LYS A 67 150.685 -8.098 -16.423 1.00 0.00 H new ATOM 0 HD3 LYS A 67 149.831 -7.887 -14.907 1.00 0.00 H new ATOM 0 HE2 LYS A 67 147.790 -8.940 -16.018 1.00 0.00 H new ATOM 0 HE3 LYS A 67 148.813 -9.315 -17.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 148.462 -10.929 -15.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 149.829 -10.972 -16.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 149.887 -10.133 -14.821 1.00 0.00 H new ATOM 1112 N LEU A 68 148.205 -5.807 -12.743 1.00 0.00 N ATOM 1113 CA LEU A 68 148.261 -5.673 -11.292 1.00 0.00 C ATOM 1114 C LEU A 68 149.278 -4.610 -10.887 1.00 0.00 C ATOM 1115 O LEU A 68 150.086 -4.170 -11.704 1.00 0.00 O ATOM 1116 CB LEU A 68 148.611 -7.014 -10.637 1.00 0.00 C ATOM 1117 CG LEU A 68 149.676 -7.839 -11.365 1.00 0.00 C ATOM 1118 CD1 LEU A 68 150.632 -8.477 -10.368 1.00 0.00 C ATOM 1119 CD2 LEU A 68 149.022 -8.904 -12.234 1.00 0.00 C ATOM 0 H LEU A 68 148.557 -6.695 -13.099 1.00 0.00 H new ATOM 0 HA LEU A 68 147.276 -5.362 -10.944 1.00 0.00 H new ATOM 0 HB2 LEU A 68 148.954 -6.824 -9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 68 147.702 -7.611 -10.561 1.00 0.00 H new ATOM 0 HG LEU A 68 150.248 -7.171 -12.009 1.00 0.00 H new ATOM 0 HD11 LEU A 68 151.382 -9.059 -10.904 1.00 0.00 H new ATOM 0 HD12 LEU A 68 151.125 -7.698 -9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 68 150.075 -9.132 -9.698 1.00 0.00 H new ATOM 0 HD21 LEU A 68 149.793 -9.481 -12.744 1.00 0.00 H new ATOM 0 HD22 LEU A 68 148.426 -9.568 -11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 68 148.378 -8.426 -12.972 1.00 0.00 H new ATOM 1131 N PHE A 69 149.232 -4.199 -9.624 1.00 0.00 N ATOM 1132 CA PHE A 69 150.150 -3.186 -9.119 1.00 0.00 C ATOM 1133 C PHE A 69 150.115 -3.121 -7.594 1.00 0.00 C ATOM 1134 O PHE A 69 149.627 -2.152 -7.013 1.00 0.00 O ATOM 1135 CB PHE A 69 149.803 -1.819 -9.710 1.00 0.00 C ATOM 1136 CG PHE A 69 150.487 -1.539 -11.018 1.00 0.00 C ATOM 1137 CD1 PHE A 69 151.868 -1.441 -11.087 1.00 0.00 C ATOM 1138 CD2 PHE A 69 149.748 -1.374 -12.178 1.00 0.00 C ATOM 1139 CE1 PHE A 69 152.498 -1.186 -12.289 1.00 0.00 C ATOM 1140 CE2 PHE A 69 150.374 -1.117 -13.384 1.00 0.00 C ATOM 1141 CZ PHE A 69 151.751 -1.023 -13.439 1.00 0.00 C ATOM 0 H PHE A 69 148.570 -4.551 -8.933 1.00 0.00 H new ATOM 0 HA PHE A 69 151.159 -3.463 -9.424 1.00 0.00 H new ATOM 0 HB2 PHE A 69 148.724 -1.757 -9.853 1.00 0.00 H new ATOM 0 HB3 PHE A 69 150.074 -1.043 -8.994 1.00 0.00 H new ATOM 0 HD1 PHE A 69 152.458 -1.565 -10.191 1.00 0.00 H new ATOM 0 HD2 PHE A 69 148.671 -1.447 -12.140 1.00 0.00 H new ATOM 0 HE1 PHE A 69 153.575 -1.114 -12.330 1.00 0.00 H new ATOM 0 HE2 PHE A 69 149.787 -0.990 -14.282 1.00 0.00 H new ATOM 0 HZ PHE A 69 152.242 -0.822 -14.380 1.00 0.00 H new ATOM 1151 N ARG A 70 150.636 -4.161 -6.950 1.00 0.00 N ATOM 1152 CA ARG A 70 150.665 -4.222 -5.499 1.00 0.00 C ATOM 1153 C ARG A 70 151.487 -3.072 -4.929 1.00 0.00 C ATOM 1154 O ARG A 70 152.652 -2.898 -5.284 1.00 0.00 O ATOM 1155 CB ARG A 70 151.242 -5.560 -5.035 1.00 0.00 C ATOM 1156 CG ARG A 70 151.318 -5.699 -3.522 1.00 0.00 C ATOM 1157 CD ARG A 70 152.130 -6.919 -3.119 1.00 0.00 C ATOM 1158 NE ARG A 70 153.522 -6.822 -3.555 1.00 0.00 N ATOM 1159 CZ ARG A 70 154.463 -6.153 -2.891 1.00 0.00 C ATOM 1160 NH1 ARG A 70 154.167 -5.510 -1.768 1.00 0.00 N ATOM 1161 NH2 ARG A 70 155.706 -6.125 -3.354 1.00 0.00 N ATOM 0 H ARG A 70 151.044 -4.973 -7.414 1.00 0.00 H new ATOM 0 HA ARG A 70 149.642 -4.133 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 70 150.630 -6.368 -5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 70 152.241 -5.680 -5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 70 151.768 -4.803 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 70 150.312 -5.778 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 70 152.097 -7.034 -2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 70 151.678 -7.813 -3.548 1.00 0.00 H new ATOM 0 HE ARG A 70 153.788 -7.295 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 70 153.213 -5.526 -1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 70 154.894 -5.000 -1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 70 155.940 -6.615 -4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 70 156.428 -5.613 -2.847 1.00 0.00 H new ATOM 1175 N ALA A 71 150.881 -2.292 -4.039 1.00 0.00 N ATOM 1176 CA ALA A 71 151.573 -1.165 -3.429 1.00 0.00 C ATOM 1177 C ALA A 71 151.674 -1.341 -1.924 1.00 0.00 C ATOM 1178 O ALA A 71 150.900 -2.096 -1.334 1.00 0.00 O ATOM 1179 CB ALA A 71 150.870 0.139 -3.769 1.00 0.00 C ATOM 0 H ALA A 71 149.918 -2.419 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 71 152.584 -1.128 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 71 151.401 0.970 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 71 150.858 0.275 -4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.846 0.109 -3.396 1.00 0.00 H new ATOM 1185 N ASP A 72 152.629 -0.655 -1.292 1.00 0.00 N ATOM 1186 CA ASP A 72 152.782 -0.787 0.152 1.00 0.00 C ATOM 1187 C ASP A 72 153.000 0.567 0.817 1.00 0.00 C ATOM 1188 O ASP A 72 153.683 1.437 0.275 1.00 0.00 O ATOM 1189 CB ASP A 72 153.947 -1.724 0.478 1.00 0.00 C ATOM 1190 CG ASP A 72 153.610 -2.702 1.586 1.00 0.00 C ATOM 1191 OD1 ASP A 72 152.509 -3.289 1.543 1.00 0.00 O ATOM 1192 OD2 ASP A 72 154.448 -2.883 2.494 1.00 0.00 O ATOM 0 H ASP A 72 153.288 -0.021 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 72 151.858 -1.211 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.226 -2.277 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 72 154.814 -1.132 0.771 1.00 0.00 H new ATOM 1197 N ILE A 73 152.417 0.732 2.003 1.00 0.00 N ATOM 1198 CA ILE A 73 152.545 1.973 2.754 1.00 0.00 C ATOM 1199 C ILE A 73 152.781 1.699 4.237 1.00 0.00 C ATOM 1200 O ILE A 73 151.834 1.583 5.015 1.00 0.00 O ATOM 1201 CB ILE A 73 151.297 2.865 2.591 1.00 0.00 C ATOM 1202 CG1 ILE A 73 151.228 3.417 1.169 1.00 0.00 C ATOM 1203 CG2 ILE A 73 151.312 4.007 3.600 1.00 0.00 C ATOM 1204 CD1 ILE A 73 150.472 2.527 0.212 1.00 0.00 C ATOM 0 H ILE A 73 151.851 0.019 2.463 1.00 0.00 H new ATOM 0 HA ILE A 73 153.408 2.500 2.347 1.00 0.00 H new ATOM 0 HB ILE A 73 150.413 2.256 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 73 150.754 4.398 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 73 152.241 3.561 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 73 150.422 4.623 3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 73 151.322 3.599 4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 73 152.202 4.617 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 73 150.464 2.982 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 73 150.958 1.553 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 73 149.448 2.403 0.563 1.00 0.00 H new ATOM 1216 N SER A 74 154.048 1.618 4.623 1.00 0.00 N ATOM 1217 CA SER A 74 154.412 1.381 6.014 1.00 0.00 C ATOM 1218 C SER A 74 154.605 2.707 6.720 1.00 0.00 C ATOM 1219 O SER A 74 155.379 3.550 6.274 1.00 0.00 O ATOM 1220 CB SER A 74 155.685 0.534 6.108 1.00 0.00 C ATOM 1221 OG SER A 74 156.188 0.217 4.821 1.00 0.00 O ATOM 0 H SER A 74 154.843 1.713 3.991 1.00 0.00 H new ATOM 0 HA SER A 74 153.607 0.830 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 74 156.443 1.075 6.674 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.474 -0.385 6.655 1.00 0.00 H new ATOM 0 HG SER A 74 157.001 -0.322 4.911 1.00 0.00 H new ATOM 1227 N GLU A 75 153.878 2.906 7.808 1.00 0.00 N ATOM 1228 CA GLU A 75 153.960 4.153 8.534 1.00 0.00 C ATOM 1229 C GLU A 75 154.707 4.009 9.850 1.00 0.00 C ATOM 1230 O GLU A 75 154.697 2.953 10.482 1.00 0.00 O ATOM 1231 CB GLU A 75 152.555 4.691 8.785 1.00 0.00 C ATOM 1232 CG GLU A 75 152.490 6.197 8.831 1.00 0.00 C ATOM 1233 CD GLU A 75 152.278 6.734 10.234 1.00 0.00 C ATOM 1234 OE1 GLU A 75 152.870 6.173 11.181 1.00 0.00 O ATOM 1235 OE2 GLU A 75 151.520 7.716 10.386 1.00 0.00 O ATOM 0 H GLU A 75 153.231 2.223 8.202 1.00 0.00 H new ATOM 0 HA GLU A 75 154.525 4.855 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 75 151.890 4.330 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 75 152.183 4.290 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 75 153.414 6.608 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 75 151.679 6.541 8.189 1.00 0.00 H new ATOM 1242 N ASP A 76 155.338 5.103 10.253 1.00 0.00 N ATOM 1243 CA ASP A 76 156.083 5.167 11.488 1.00 0.00 C ATOM 1244 C ASP A 76 155.781 6.489 12.189 1.00 0.00 C ATOM 1245 O ASP A 76 155.237 7.407 11.576 1.00 0.00 O ATOM 1246 CB ASP A 76 157.585 5.021 11.227 1.00 0.00 C ATOM 1247 CG ASP A 76 158.134 3.699 11.729 1.00 0.00 C ATOM 1248 OD1 ASP A 76 157.641 2.643 11.280 1.00 0.00 O ATOM 1249 OD2 ASP A 76 159.056 3.721 12.570 1.00 0.00 O ATOM 0 H ASP A 76 155.343 5.974 9.723 1.00 0.00 H new ATOM 0 HA ASP A 76 155.780 4.342 12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 76 157.775 5.107 10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 76 158.116 5.840 11.712 1.00 0.00 H new ATOM 1254 N TYR A 77 156.111 6.585 13.471 1.00 0.00 N ATOM 1255 CA TYR A 77 155.841 7.805 14.223 1.00 0.00 C ATOM 1256 C TYR A 77 157.051 8.270 15.025 1.00 0.00 C ATOM 1257 O TYR A 77 157.019 9.339 15.636 1.00 0.00 O ATOM 1258 CB TYR A 77 154.644 7.602 15.145 1.00 0.00 C ATOM 1259 CG TYR A 77 153.372 8.212 14.612 1.00 0.00 C ATOM 1260 CD1 TYR A 77 153.286 9.576 14.364 1.00 0.00 C ATOM 1261 CD2 TYR A 77 152.258 7.426 14.355 1.00 0.00 C ATOM 1262 CE1 TYR A 77 152.123 10.140 13.876 1.00 0.00 C ATOM 1263 CE2 TYR A 77 151.091 7.981 13.867 1.00 0.00 C ATOM 1264 CZ TYR A 77 151.028 9.338 13.630 1.00 0.00 C ATOM 1265 OH TYR A 77 149.868 9.896 13.142 1.00 0.00 O ATOM 0 H TYR A 77 156.561 5.843 14.007 1.00 0.00 H new ATOM 0 HA TYR A 77 155.613 8.587 13.499 1.00 0.00 H new ATOM 0 HB2 TYR A 77 154.490 6.534 15.300 1.00 0.00 H new ATOM 0 HB3 TYR A 77 154.867 8.036 16.120 1.00 0.00 H new ATOM 0 HD1 TYR A 77 154.142 10.206 14.556 1.00 0.00 H new ATOM 0 HD2 TYR A 77 152.304 6.363 14.539 1.00 0.00 H new ATOM 0 HE1 TYR A 77 152.072 11.202 13.688 1.00 0.00 H new ATOM 0 HE2 TYR A 77 150.232 7.355 13.672 1.00 0.00 H new ATOM 0 HH TYR A 77 149.193 9.196 13.022 1.00 0.00 H new ATOM 1275 N LYS A 78 158.128 7.493 15.000 1.00 0.00 N ATOM 1276 CA LYS A 78 159.342 7.880 15.706 1.00 0.00 C ATOM 1277 C LYS A 78 159.834 9.200 15.126 1.00 0.00 C ATOM 1278 O LYS A 78 160.419 10.033 15.818 1.00 0.00 O ATOM 1279 CB LYS A 78 160.406 6.787 15.571 1.00 0.00 C ATOM 1280 CG LYS A 78 161.021 6.363 16.898 1.00 0.00 C ATOM 1281 CD LYS A 78 161.482 7.562 17.714 1.00 0.00 C ATOM 1282 CE LYS A 78 160.746 7.651 19.041 1.00 0.00 C ATOM 1283 NZ LYS A 78 160.827 9.017 19.629 1.00 0.00 N ATOM 0 H LYS A 78 158.185 6.603 14.505 1.00 0.00 H new ATOM 0 HA LYS A 78 159.136 8.006 16.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 159.960 5.915 15.093 1.00 0.00 H new ATOM 0 HB3 LYS A 78 161.197 7.142 14.911 1.00 0.00 H new ATOM 0 HG2 LYS A 78 160.291 5.792 17.471 1.00 0.00 H new ATOM 0 HG3 LYS A 78 161.868 5.702 16.712 1.00 0.00 H new ATOM 0 HD2 LYS A 78 162.554 7.489 17.896 1.00 0.00 H new ATOM 0 HD3 LYS A 78 161.317 8.476 17.144 1.00 0.00 H new ATOM 0 HE2 LYS A 78 159.700 7.380 18.895 1.00 0.00 H new ATOM 0 HE3 LYS A 78 161.168 6.929 19.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 160.328 9.032 20.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 161.824 9.273 19.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 160.386 9.701 18.981 1.00 0.00 H new ATOM 1297 N THR A 79 159.537 9.382 13.843 1.00 0.00 N ATOM 1298 CA THR A 79 159.872 10.592 13.108 1.00 0.00 C ATOM 1299 C THR A 79 158.764 10.881 12.092 1.00 0.00 C ATOM 1300 O THR A 79 158.963 11.620 11.127 1.00 0.00 O ATOM 1301 CB THR A 79 161.217 10.435 12.398 1.00 0.00 C ATOM 1302 OG1 THR A 79 161.374 9.116 11.906 1.00 0.00 O ATOM 1303 CG2 THR A 79 162.403 10.739 13.287 1.00 0.00 C ATOM 0 H THR A 79 159.051 8.684 13.280 1.00 0.00 H new ATOM 0 HA THR A 79 159.955 11.426 13.805 1.00 0.00 H new ATOM 0 HB THR A 79 161.200 11.160 11.584 1.00 0.00 H new ATOM 0 HG1 THR A 79 162.240 9.036 11.454 1.00 0.00 H new ATOM 0 HG21 THR A 79 163.325 10.608 12.721 1.00 0.00 H new ATOM 0 HG22 THR A 79 162.338 11.768 13.642 1.00 0.00 H new ATOM 0 HG23 THR A 79 162.402 10.060 14.140 1.00 0.00 H new ATOM 1311 N ARG A 80 157.596 10.270 12.320 1.00 0.00 N ATOM 1312 CA ARG A 80 156.439 10.421 11.439 1.00 0.00 C ATOM 1313 C ARG A 80 156.676 9.703 10.122 1.00 0.00 C ATOM 1314 O ARG A 80 156.413 10.246 9.050 1.00 0.00 O ATOM 1315 CB ARG A 80 156.117 11.888 11.165 1.00 0.00 C ATOM 1316 CG ARG A 80 156.488 12.831 12.300 1.00 0.00 C ATOM 1317 CD ARG A 80 155.345 13.775 12.639 1.00 0.00 C ATOM 1318 NE ARG A 80 155.346 14.965 11.792 1.00 0.00 N ATOM 1319 CZ ARG A 80 156.136 16.017 11.992 1.00 0.00 C ATOM 1320 NH1 ARG A 80 156.991 16.031 13.006 1.00 0.00 N ATOM 1321 NH2 ARG A 80 156.069 17.061 11.177 1.00 0.00 N ATOM 0 H ARG A 80 157.429 9.659 13.119 1.00 0.00 H new ATOM 0 HA ARG A 80 155.587 9.976 11.953 1.00 0.00 H new ATOM 0 HB2 ARG A 80 156.641 12.201 10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 80 155.050 11.983 10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 80 156.756 12.251 13.183 1.00 0.00 H new ATOM 0 HG3 ARG A 80 157.368 13.410 12.020 1.00 0.00 H new ATOM 0 HD2 ARG A 80 154.396 13.250 12.525 1.00 0.00 H new ATOM 0 HD3 ARG A 80 155.421 14.074 13.684 1.00 0.00 H new ATOM 0 HE ARG A 80 154.703 14.991 11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 80 157.046 15.232 13.638 1.00 0.00 H new ATOM 0 HH12 ARG A 80 157.594 16.840 13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 80 155.412 17.058 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 80 156.675 17.867 11.330 1.00 0.00 H new ATOM 1335 N GLY A 81 157.169 8.477 10.209 1.00 0.00 N ATOM 1336 CA GLY A 81 157.424 7.707 9.014 1.00 0.00 C ATOM 1337 C GLY A 81 156.190 7.588 8.145 1.00 0.00 C ATOM 1338 O GLY A 81 155.110 8.039 8.526 1.00 0.00 O ATOM 0 H GLY A 81 157.396 8.004 11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 81 158.226 8.176 8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 81 157.771 6.711 9.291 1.00 0.00 H new ATOM 1342 N ARG A 82 156.359 6.985 6.978 1.00 0.00 N ATOM 1343 CA ARG A 82 155.265 6.795 6.030 1.00 0.00 C ATOM 1344 C ARG A 82 155.841 6.421 4.667 1.00 0.00 C ATOM 1345 O ARG A 82 156.027 7.274 3.797 1.00 0.00 O ATOM 1346 CB ARG A 82 154.400 8.057 5.929 1.00 0.00 C ATOM 1347 CG ARG A 82 152.952 7.824 6.331 1.00 0.00 C ATOM 1348 CD ARG A 82 151.999 8.663 5.494 1.00 0.00 C ATOM 1349 NE ARG A 82 151.711 9.950 6.122 1.00 0.00 N ATOM 1350 CZ ARG A 82 151.226 11.004 5.469 1.00 0.00 C ATOM 1351 NH1 ARG A 82 150.969 10.927 4.168 1.00 0.00 N ATOM 1352 NH2 ARG A 82 150.995 12.137 6.117 1.00 0.00 N ATOM 0 H ARG A 82 157.254 6.614 6.660 1.00 0.00 H new ATOM 0 HA ARG A 82 154.624 5.988 6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 82 154.826 8.834 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 82 154.431 8.430 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 82 152.707 6.768 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 82 152.822 8.068 7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 82 152.432 8.829 4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 82 151.068 8.115 5.345 1.00 0.00 H new ATOM 0 HE ARG A 82 151.892 10.047 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 82 151.143 10.057 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 82 150.597 11.738 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 82 151.189 12.202 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 82 150.623 12.944 5.616 1.00 0.00 H new ATOM 1366 N LYS A 83 156.164 5.143 4.517 1.00 0.00 N ATOM 1367 CA LYS A 83 156.771 4.627 3.306 1.00 0.00 C ATOM 1368 C LYS A 83 155.757 4.276 2.220 1.00 0.00 C ATOM 1369 O LYS A 83 155.399 3.112 2.051 1.00 0.00 O ATOM 1370 CB LYS A 83 157.609 3.392 3.642 1.00 0.00 C ATOM 1371 CG LYS A 83 159.078 3.701 3.866 1.00 0.00 C ATOM 1372 CD LYS A 83 159.918 3.309 2.659 1.00 0.00 C ATOM 1373 CE LYS A 83 161.278 2.777 3.077 1.00 0.00 C ATOM 1374 NZ LYS A 83 162.204 2.646 1.919 1.00 0.00 N ATOM 0 H LYS A 83 156.010 4.436 5.236 1.00 0.00 H new ATOM 0 HA LYS A 83 157.397 5.424 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 83 157.204 2.920 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 83 157.517 2.669 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 83 159.201 4.765 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 83 159.433 3.167 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 83 159.392 2.551 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 83 160.049 4.174 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 83 161.717 3.445 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 83 161.156 1.805 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 163.121 2.280 2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 161.798 1.989 1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 162.341 3.577 1.477 1.00 0.00 H new ATOM 1388 N LEU A 84 155.337 5.277 1.456 1.00 0.00 N ATOM 1389 CA LEU A 84 154.408 5.050 0.354 1.00 0.00 C ATOM 1390 C LEU A 84 155.202 4.917 -0.937 1.00 0.00 C ATOM 1391 O LEU A 84 155.785 5.893 -1.413 1.00 0.00 O ATOM 1392 CB LEU A 84 153.403 6.200 0.246 1.00 0.00 C ATOM 1393 CG LEU A 84 152.954 6.799 1.580 1.00 0.00 C ATOM 1394 CD1 LEU A 84 153.825 7.988 1.951 1.00 0.00 C ATOM 1395 CD2 LEU A 84 151.490 7.209 1.514 1.00 0.00 C ATOM 0 H LEU A 84 155.622 6.249 1.577 1.00 0.00 H new ATOM 0 HA LEU A 84 153.846 4.134 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 84 153.844 6.992 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 84 152.523 5.843 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 84 153.064 6.039 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 84 153.491 8.401 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 84 154.862 7.665 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 84 153.747 8.751 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 84 151.187 7.633 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 84 151.356 7.953 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 84 150.877 6.335 1.294 1.00 0.00 H new ATOM 1407 N LEU A 85 155.269 3.704 -1.486 1.00 0.00 N ATOM 1408 CA LEU A 85 156.052 3.484 -2.694 1.00 0.00 C ATOM 1409 C LEU A 85 155.646 2.224 -3.448 1.00 0.00 C ATOM 1410 O LEU A 85 155.123 2.306 -4.558 1.00 0.00 O ATOM 1411 CB LEU A 85 157.527 3.379 -2.316 1.00 0.00 C ATOM 1412 CG LEU A 85 157.790 2.728 -0.958 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.936 1.733 -1.058 1.00 0.00 C ATOM 1414 CD2 LEU A 85 158.092 3.791 0.088 1.00 0.00 C ATOM 0 H LEU A 85 154.799 2.876 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 85 155.868 4.330 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 85 158.046 2.807 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 85 157.961 4.379 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 85 156.894 2.188 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 85 159.110 1.279 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 85 158.682 0.957 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.839 2.249 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 85 158.277 3.313 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 85 158.974 4.356 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 85 157.241 4.466 0.177 1.00 0.00 H new ATOM 1426 N ARG A 86 155.929 1.059 -2.849 1.00 0.00 N ATOM 1427 CA ARG A 86 155.638 -0.240 -3.458 1.00 0.00 C ATOM 1428 C ARG A 86 154.567 -0.140 -4.535 1.00 0.00 C ATOM 1429 O ARG A 86 153.523 0.480 -4.329 1.00 0.00 O ATOM 1430 CB ARG A 86 155.223 -1.251 -2.390 1.00 0.00 C ATOM 1431 CG ARG A 86 156.187 -2.419 -2.252 1.00 0.00 C ATOM 1432 CD ARG A 86 157.215 -2.170 -1.160 1.00 0.00 C ATOM 1433 NE ARG A 86 158.566 -2.524 -1.588 1.00 0.00 N ATOM 1434 CZ ARG A 86 158.987 -3.776 -1.756 1.00 0.00 C ATOM 1435 NH1 ARG A 86 158.166 -4.795 -1.535 1.00 0.00 N ATOM 1436 NH2 ARG A 86 160.232 -4.009 -2.147 1.00 0.00 N ATOM 0 H ARG A 86 156.366 0.994 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 86 156.554 -0.584 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 86 155.143 -0.741 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 86 154.232 -1.635 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 86 155.629 -3.328 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 86 156.697 -2.585 -3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 86 157.190 -1.119 -0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 86 156.952 -2.750 -0.275 1.00 0.00 H new ATOM 0 HE ARG A 86 159.226 -1.767 -1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 86 157.207 -4.621 -1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 86 158.494 -5.752 -1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 86 160.867 -3.229 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 86 160.555 -4.968 -2.276 1.00 0.00 H new ATOM 1450 N PHE A 87 154.851 -0.748 -5.682 1.00 0.00 N ATOM 1451 CA PHE A 87 153.938 -0.741 -6.819 1.00 0.00 C ATOM 1452 C PHE A 87 154.441 -1.706 -7.892 1.00 0.00 C ATOM 1453 O PHE A 87 154.989 -1.285 -8.910 1.00 0.00 O ATOM 1454 CB PHE A 87 153.818 0.674 -7.393 1.00 0.00 C ATOM 1455 CG PHE A 87 152.402 1.166 -7.494 1.00 0.00 C ATOM 1456 CD1 PHE A 87 151.808 1.825 -6.432 1.00 0.00 C ATOM 1457 CD2 PHE A 87 151.671 0.975 -8.654 1.00 0.00 C ATOM 1458 CE1 PHE A 87 150.508 2.284 -6.522 1.00 0.00 C ATOM 1459 CE2 PHE A 87 150.370 1.430 -8.752 1.00 0.00 C ATOM 1460 CZ PHE A 87 149.788 2.086 -7.684 1.00 0.00 C ATOM 0 H PHE A 87 155.718 -1.258 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 87 152.952 -1.064 -6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 87 154.388 1.360 -6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 87 154.272 0.695 -8.384 1.00 0.00 H new ATOM 0 HD1 PHE A 87 152.367 1.982 -5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 87 152.123 0.465 -9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 87 150.056 2.796 -5.686 1.00 0.00 H new ATOM 0 HE2 PHE A 87 149.809 1.273 -9.661 1.00 0.00 H new ATOM 0 HZ PHE A 87 148.772 2.443 -7.758 1.00 0.00 H new ATOM 1470 N ASN A 88 154.267 -3.002 -7.647 1.00 0.00 N ATOM 1471 CA ASN A 88 154.723 -4.020 -8.587 1.00 0.00 C ATOM 1472 C ASN A 88 153.553 -4.790 -9.187 1.00 0.00 C ATOM 1473 O ASN A 88 152.516 -4.969 -8.549 1.00 0.00 O ATOM 1474 CB ASN A 88 155.682 -4.988 -7.887 1.00 0.00 C ATOM 1475 CG ASN A 88 157.069 -4.975 -8.501 1.00 0.00 C ATOM 1476 OD1 ASN A 88 157.239 -4.624 -9.668 1.00 0.00 O ATOM 1477 ND2 ASN A 88 158.067 -5.358 -7.715 1.00 0.00 N ATOM 0 H ASN A 88 153.816 -3.370 -6.810 1.00 0.00 H new ATOM 0 HA ASN A 88 155.245 -3.515 -9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 88 155.753 -4.725 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 88 155.275 -5.998 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 88 159.022 -5.369 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 88 157.879 -5.641 -6.753 1.00 0.00 H new ATOM 1484 N GLY A 89 153.736 -5.251 -10.420 1.00 0.00 N ATOM 1485 CA GLY A 89 152.699 -6.004 -11.098 1.00 0.00 C ATOM 1486 C GLY A 89 153.032 -6.257 -12.557 1.00 0.00 C ATOM 1487 O GLY A 89 152.330 -5.778 -13.447 1.00 0.00 O ATOM 0 H GLY A 89 154.589 -5.115 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 89 152.554 -6.957 -10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 89 151.756 -5.461 -11.032 1.00 0.00 H new ATOM 1491 N PRO A 90 154.112 -7.012 -12.836 1.00 0.00 N ATOM 1492 CA PRO A 90 154.531 -7.318 -14.207 1.00 0.00 C ATOM 1493 C PRO A 90 153.552 -8.249 -14.914 1.00 0.00 C ATOM 1494 O PRO A 90 152.894 -7.858 -15.881 1.00 0.00 O ATOM 1495 CB PRO A 90 155.893 -8.010 -14.035 1.00 0.00 C ATOM 1496 CG PRO A 90 156.290 -7.770 -12.615 1.00 0.00 C ATOM 1497 CD PRO A 90 155.010 -7.621 -11.847 1.00 0.00 C ATOM 0 HA PRO A 90 154.575 -6.419 -14.822 1.00 0.00 H new ATOM 0 HB2 PRO A 90 155.820 -9.077 -14.246 1.00 0.00 H new ATOM 0 HB3 PRO A 90 156.631 -7.598 -14.723 1.00 0.00 H new ATOM 0 HG2 PRO A 90 156.882 -8.600 -12.230 1.00 0.00 H new ATOM 0 HG3 PRO A 90 156.904 -6.874 -12.528 1.00 0.00 H new ATOM 0 HD2 PRO A 90 154.634 -8.582 -11.496 1.00 0.00 H new ATOM 0 HD3 PRO A 90 155.135 -6.987 -10.969 1.00 0.00 H new ATOM 1505 N VAL A 91 153.460 -9.482 -14.430 1.00 0.00 N ATOM 1506 CA VAL A 91 152.564 -10.470 -15.016 1.00 0.00 C ATOM 1507 C VAL A 91 151.991 -11.396 -13.946 1.00 0.00 C ATOM 1508 O VAL A 91 152.725 -11.713 -12.986 1.00 0.00 O ATOM 1509 CB VAL A 91 153.282 -11.313 -16.087 1.00 0.00 C ATOM 1510 CG1 VAL A 91 154.431 -12.100 -15.473 1.00 0.00 C ATOM 1511 CG2 VAL A 91 152.300 -12.242 -16.786 1.00 0.00 C ATOM 1512 OXT VAL A 91 150.817 -11.797 -14.079 1.00 0.00 O ATOM 0 H VAL A 91 153.996 -9.821 -13.632 1.00 0.00 H new ATOM 0 HA VAL A 91 151.749 -9.921 -15.487 1.00 0.00 H new ATOM 0 HB VAL A 91 153.698 -10.636 -16.833 1.00 0.00 H new ATOM 0 HG11 VAL A 91 154.924 -12.688 -16.247 1.00 0.00 H new ATOM 0 HG12 VAL A 91 155.149 -11.410 -15.029 1.00 0.00 H new ATOM 0 HG13 VAL A 91 154.044 -12.766 -14.702 1.00 0.00 H new ATOM 0 HG21 VAL A 91 152.827 -12.829 -17.539 1.00 0.00 H new ATOM 0 HG22 VAL A 91 151.849 -12.912 -16.054 1.00 0.00 H new ATOM 0 HG23 VAL A 91 151.520 -11.652 -17.267 1.00 0.00 H new TER 1522 VAL A 91