USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 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 43 LYS NZ :NH3+ 149:sc= -1.71 (180deg=-3!) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= -0.494 USER MOD Set 2.1: A 35 ASN : amide:sc= -1.62 K(o=-0.53,f=-5.7!) USER MOD Set 2.2: A 65 SER OG : rot 54:sc= 1.09 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 139:sc= -0.388 (180deg=-0.742) USER MOD Set 3.2: A 83 LYS NZ :NH3+ 145:sc= -0.237 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0813 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc= 0.277 USER MOD Single : A 13 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.0043) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.173 X(o=-0.17,f=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= -0.425 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 57:sc= -10.5! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.235 X(o=0.23,f=-0.046) USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.423) USER MOD Single : A 56 TYR OH : rot 155:sc= 1.19 USER MOD Single : A 58 TYR OH : rot 50:sc= 1.1 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc=-0.00254 (180deg=-0.153) USER MOD Single : A 74 SER OG : rot -1:sc= 0.9 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 155.193 -6.081 15.085 1.00 0.00 N ATOM 2 CA GLY A 1 153.905 -5.599 14.513 1.00 0.00 C ATOM 3 C GLY A 1 152.829 -6.666 14.530 1.00 0.00 C ATOM 4 O GLY A 1 153.091 -7.819 14.875 1.00 0.00 O ATOM 0 H1 GLY A 1 155.432 -5.517 15.925 1.00 0.00 H new ATOM 0 H2 GLY A 1 155.100 -7.081 15.354 1.00 0.00 H new ATOM 0 H3 GLY A 1 155.947 -5.982 14.375 1.00 0.00 H new ATOM 0 HA2 GLY A 1 153.562 -4.732 15.078 1.00 0.00 H new ATOM 0 HA3 GLY A 1 154.068 -5.267 13.487 1.00 0.00 H new ATOM 10 N GLU A 2 151.611 -6.283 14.159 1.00 0.00 N ATOM 11 CA GLU A 2 150.492 -7.216 14.136 1.00 0.00 C ATOM 12 C GLU A 2 149.494 -6.843 13.045 1.00 0.00 C ATOM 13 O GLU A 2 148.965 -5.731 13.029 1.00 0.00 O ATOM 14 CB GLU A 2 149.792 -7.241 15.496 1.00 0.00 C ATOM 15 CG GLU A 2 150.361 -8.276 16.455 1.00 0.00 C ATOM 16 CD GLU A 2 149.636 -9.605 16.371 1.00 0.00 C ATOM 17 OE1 GLU A 2 148.406 -9.600 16.155 1.00 0.00 O ATOM 18 OE2 GLU A 2 150.300 -10.652 16.523 1.00 0.00 O ATOM 0 H GLU A 2 151.375 -5.334 13.871 1.00 0.00 H new ATOM 0 HA GLU A 2 150.885 -8.209 13.919 1.00 0.00 H new ATOM 0 HB2 GLU A 2 149.868 -6.254 15.953 1.00 0.00 H new ATOM 0 HB3 GLU A 2 148.731 -7.442 15.346 1.00 0.00 H new ATOM 0 HG2 GLU A 2 151.418 -8.428 16.236 1.00 0.00 H new ATOM 0 HG3 GLU A 2 150.298 -7.895 17.474 1.00 0.00 H new ATOM 25 N TRP A 3 149.238 -7.778 12.136 1.00 0.00 N ATOM 26 CA TRP A 3 148.300 -7.547 11.044 1.00 0.00 C ATOM 27 C TRP A 3 146.910 -7.229 11.585 1.00 0.00 C ATOM 28 O TRP A 3 146.513 -7.736 12.635 1.00 0.00 O ATOM 29 CB TRP A 3 148.239 -8.770 10.129 1.00 0.00 C ATOM 30 CG TRP A 3 149.586 -9.224 9.654 1.00 0.00 C ATOM 31 CD1 TRP A 3 150.306 -8.706 8.618 1.00 0.00 C ATOM 32 CD2 TRP A 3 150.371 -10.291 10.197 1.00 0.00 C ATOM 33 NE1 TRP A 3 151.493 -9.384 8.484 1.00 0.00 N ATOM 34 CE2 TRP A 3 151.557 -10.361 9.442 1.00 0.00 C ATOM 35 CE3 TRP A 3 150.188 -11.193 11.250 1.00 0.00 C ATOM 36 CZ2 TRP A 3 152.554 -11.298 9.706 1.00 0.00 C ATOM 37 CZ3 TRP A 3 151.179 -12.121 11.511 1.00 0.00 C ATOM 38 CH2 TRP A 3 152.348 -12.167 10.743 1.00 0.00 C ATOM 0 H TRP A 3 149.667 -8.703 12.134 1.00 0.00 H new ATOM 0 HA TRP A 3 148.651 -6.691 10.468 1.00 0.00 H new ATOM 0 HB2 TRP A 3 147.754 -9.589 10.661 1.00 0.00 H new ATOM 0 HB3 TRP A 3 147.616 -8.538 9.265 1.00 0.00 H new ATOM 0 HD1 TRP A 3 149.989 -7.883 7.994 1.00 0.00 H new ATOM 0 HE1 TRP A 3 152.210 -9.191 7.785 1.00 0.00 H new ATOM 0 HE3 TRP A 3 149.289 -11.165 11.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 153.456 -11.337 9.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 151.049 -12.823 12.322 1.00 0.00 H new ATOM 0 HH2 TRP A 3 153.103 -12.904 10.973 1.00 0.00 H new ATOM 49 N GLU A 4 146.176 -6.388 10.865 1.00 0.00 N ATOM 50 CA GLU A 4 144.831 -6.007 11.285 1.00 0.00 C ATOM 51 C GLU A 4 143.907 -5.827 10.083 1.00 0.00 C ATOM 52 O GLU A 4 143.281 -4.778 9.921 1.00 0.00 O ATOM 53 CB GLU A 4 144.879 -4.719 12.108 1.00 0.00 C ATOM 54 CG GLU A 4 145.258 -4.941 13.564 1.00 0.00 C ATOM 55 CD GLU A 4 144.531 -3.999 14.505 1.00 0.00 C ATOM 56 OE1 GLU A 4 143.417 -3.555 14.156 1.00 0.00 O ATOM 57 OE2 GLU A 4 145.076 -3.707 15.591 1.00 0.00 O ATOM 0 H GLU A 4 146.486 -5.959 9.993 1.00 0.00 H new ATOM 0 HA GLU A 4 144.431 -6.811 11.903 1.00 0.00 H new ATOM 0 HB2 GLU A 4 145.596 -4.035 11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 4 143.904 -4.234 12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 4 145.033 -5.971 13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 4 146.333 -4.807 13.680 1.00 0.00 H new ATOM 64 N ILE A 5 143.824 -6.854 9.243 1.00 0.00 N ATOM 65 CA ILE A 5 142.975 -6.808 8.061 1.00 0.00 C ATOM 66 C ILE A 5 141.539 -6.438 8.430 1.00 0.00 C ATOM 67 O ILE A 5 141.004 -6.919 9.430 1.00 0.00 O ATOM 68 CB ILE A 5 142.977 -8.158 7.313 1.00 0.00 C ATOM 69 CG1 ILE A 5 142.198 -8.043 6.001 1.00 0.00 C ATOM 70 CG2 ILE A 5 142.396 -9.259 8.190 1.00 0.00 C ATOM 71 CD1 ILE A 5 143.007 -7.453 4.866 1.00 0.00 C ATOM 0 H ILE A 5 144.336 -7.729 9.361 1.00 0.00 H new ATOM 0 HA ILE A 5 143.385 -6.041 7.404 1.00 0.00 H new ATOM 0 HB ILE A 5 144.009 -8.420 7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 5 141.846 -9.032 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 5 141.315 -7.426 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 5 142.406 -10.202 7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 5 142.995 -9.357 9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 5 141.370 -9.007 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 5 142.391 -7.402 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 5 143.337 -6.450 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 5 143.877 -8.082 4.674 1.00 0.00 H new ATOM 83 N ILE A 6 140.924 -5.581 7.623 1.00 0.00 N ATOM 84 CA ILE A 6 139.554 -5.149 7.874 1.00 0.00 C ATOM 85 C ILE A 6 138.573 -5.834 6.925 1.00 0.00 C ATOM 86 O ILE A 6 137.797 -6.697 7.337 1.00 0.00 O ATOM 87 CB ILE A 6 139.411 -3.620 7.733 1.00 0.00 C ATOM 88 CG1 ILE A 6 140.478 -2.909 8.567 1.00 0.00 C ATOM 89 CG2 ILE A 6 138.018 -3.176 8.157 1.00 0.00 C ATOM 90 CD1 ILE A 6 140.554 -1.421 8.304 1.00 0.00 C ATOM 0 H ILE A 6 141.351 -5.172 6.792 1.00 0.00 H new ATOM 0 HA ILE A 6 139.317 -5.435 8.899 1.00 0.00 H new ATOM 0 HB ILE A 6 139.554 -3.351 6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 6 140.271 -3.073 9.624 1.00 0.00 H new ATOM 0 HG13 ILE A 6 141.450 -3.357 8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 6 137.933 -2.094 8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 6 137.274 -3.662 7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 6 137.849 -3.454 9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 6 141.331 -0.980 8.929 1.00 0.00 H new ATOM 0 HD12 ILE A 6 140.791 -1.249 7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 6 139.595 -0.960 8.539 1.00 0.00 H new ATOM 102 N GLU A 7 138.610 -5.444 5.654 1.00 0.00 N ATOM 103 CA GLU A 7 137.720 -6.022 4.654 1.00 0.00 C ATOM 104 C GLU A 7 138.407 -6.104 3.294 1.00 0.00 C ATOM 105 O GLU A 7 139.575 -5.743 3.156 1.00 0.00 O ATOM 106 CB GLU A 7 136.440 -5.191 4.540 1.00 0.00 C ATOM 107 CG GLU A 7 135.526 -5.310 5.748 1.00 0.00 C ATOM 108 CD GLU A 7 134.638 -6.537 5.689 1.00 0.00 C ATOM 109 OE1 GLU A 7 135.158 -7.656 5.884 1.00 0.00 O ATOM 110 OE2 GLU A 7 133.424 -6.379 5.446 1.00 0.00 O ATOM 0 H GLU A 7 139.245 -4.732 5.294 1.00 0.00 H new ATOM 0 HA GLU A 7 137.464 -7.032 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 7 136.708 -4.144 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 7 135.893 -5.502 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 7 136.131 -5.347 6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 7 134.903 -4.418 5.817 1.00 0.00 H new ATOM 117 N ILE A 8 137.673 -6.582 2.296 1.00 0.00 N ATOM 118 CA ILE A 8 138.212 -6.713 0.946 1.00 0.00 C ATOM 119 C ILE A 8 137.515 -5.764 -0.032 1.00 0.00 C ATOM 120 O ILE A 8 137.842 -5.736 -1.218 1.00 0.00 O ATOM 121 CB ILE A 8 138.073 -8.157 0.424 1.00 0.00 C ATOM 122 CG1 ILE A 8 138.625 -9.150 1.449 1.00 0.00 C ATOM 123 CG2 ILE A 8 138.791 -8.310 -0.910 1.00 0.00 C ATOM 124 CD1 ILE A 8 137.776 -10.392 1.607 1.00 0.00 C ATOM 0 H ILE A 8 136.704 -6.885 2.395 1.00 0.00 H new ATOM 0 HA ILE A 8 139.268 -6.451 1.007 1.00 0.00 H new ATOM 0 HB ILE A 8 137.015 -8.372 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 8 139.632 -9.444 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 8 138.710 -8.653 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 8 138.684 -9.335 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 8 138.355 -7.626 -1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 8 139.849 -8.079 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 8 138.228 -11.050 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 8 136.775 -10.110 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 8 137.712 -10.913 0.652 1.00 0.00 H new ATOM 136 N GLY A 9 136.557 -4.986 0.470 1.00 0.00 N ATOM 137 CA GLY A 9 135.840 -4.053 -0.378 1.00 0.00 C ATOM 138 C GLY A 9 136.494 -2.683 -0.412 1.00 0.00 C ATOM 139 O GLY A 9 137.397 -2.445 -1.215 1.00 0.00 O ATOM 0 H GLY A 9 136.267 -4.987 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.787 -4.453 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.815 -3.955 -0.020 1.00 0.00 H new ATOM 143 N PRO A 10 136.060 -1.755 0.459 1.00 0.00 N ATOM 144 CA PRO A 10 136.626 -0.403 0.515 1.00 0.00 C ATOM 145 C PRO A 10 138.073 -0.408 0.995 1.00 0.00 C ATOM 146 O PRO A 10 138.911 0.328 0.476 1.00 0.00 O ATOM 147 CB PRO A 10 135.728 0.321 1.524 1.00 0.00 C ATOM 148 CG PRO A 10 135.145 -0.763 2.363 1.00 0.00 C ATOM 149 CD PRO A 10 134.993 -1.951 1.457 1.00 0.00 C ATOM 0 HA PRO A 10 136.650 0.072 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 10 136.300 1.025 2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 10 134.949 0.893 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 10 135.795 -0.996 3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 10 134.182 -0.462 2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 10 135.116 -2.889 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 10 134.008 -1.979 0.992 1.00 0.00 H new ATOM 157 N PHE A 11 138.356 -1.245 1.989 1.00 0.00 N ATOM 158 CA PHE A 11 139.701 -1.359 2.548 1.00 0.00 C ATOM 159 C PHE A 11 140.751 -1.477 1.443 1.00 0.00 C ATOM 160 O PHE A 11 141.898 -1.069 1.616 1.00 0.00 O ATOM 161 CB PHE A 11 139.774 -2.573 3.480 1.00 0.00 C ATOM 162 CG PHE A 11 141.163 -2.889 3.967 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.070 -3.533 3.141 1.00 0.00 C ATOM 164 CD2 PHE A 11 141.557 -2.544 5.249 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.346 -3.825 3.585 1.00 0.00 C ATOM 166 CE2 PHE A 11 142.832 -2.834 5.699 1.00 0.00 C ATOM 167 CZ PHE A 11 143.727 -3.475 4.865 1.00 0.00 C ATOM 0 H PHE A 11 137.668 -1.858 2.427 1.00 0.00 H new ATOM 0 HA PHE A 11 139.914 -0.454 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.130 -2.396 4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.376 -3.443 2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 11 141.777 -3.810 2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 11 140.861 -2.043 5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 11 144.044 -4.326 2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.127 -2.560 6.701 1.00 0.00 H new ATOM 0 HZ PHE A 11 144.724 -3.702 5.214 1.00 0.00 H new ATOM 177 N THR A 12 140.348 -2.044 0.312 1.00 0.00 N ATOM 178 CA THR A 12 141.246 -2.226 -0.820 1.00 0.00 C ATOM 179 C THR A 12 141.227 -1.008 -1.739 1.00 0.00 C ATOM 180 O THR A 12 142.266 -0.403 -2.007 1.00 0.00 O ATOM 181 CB THR A 12 140.840 -3.478 -1.604 1.00 0.00 C ATOM 182 OG1 THR A 12 139.538 -3.902 -1.240 1.00 0.00 O ATOM 183 CG2 THR A 12 141.772 -4.653 -1.400 1.00 0.00 C ATOM 0 H THR A 12 139.400 -2.387 0.155 1.00 0.00 H new ATOM 0 HA THR A 12 142.260 -2.346 -0.438 1.00 0.00 H new ATOM 0 HB THR A 12 140.884 -3.179 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 12 139.418 -4.842 -1.489 1.00 0.00 H new ATOM 0 HG21 THR A 12 141.421 -5.502 -1.986 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.777 -4.381 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 12 141.791 -4.924 -0.344 1.00 0.00 H new ATOM 191 N GLN A 13 140.040 -0.654 -2.219 1.00 0.00 N ATOM 192 CA GLN A 13 139.885 0.492 -3.111 1.00 0.00 C ATOM 193 C GLN A 13 140.477 1.751 -2.488 1.00 0.00 C ATOM 194 O GLN A 13 141.018 2.607 -3.187 1.00 0.00 O ATOM 195 CB GLN A 13 138.407 0.712 -3.438 1.00 0.00 C ATOM 196 CG GLN A 13 138.159 1.883 -4.375 1.00 0.00 C ATOM 197 CD GLN A 13 136.807 1.807 -5.058 1.00 0.00 C ATOM 198 OE1 GLN A 13 135.979 2.707 -4.923 1.00 0.00 O ATOM 199 NE2 GLN A 13 136.576 0.726 -5.796 1.00 0.00 N ATOM 0 H GLN A 13 139.171 -1.143 -2.006 1.00 0.00 H new ATOM 0 HA GLN A 13 140.425 0.280 -4.034 1.00 0.00 H new ATOM 0 HB2 GLN A 13 138.004 -0.195 -3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 13 137.859 0.877 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 13 138.226 2.814 -3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 13 138.943 1.911 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 13 137.291 0.004 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 13 135.683 0.619 -6.278 1.00 0.00 H new ATOM 208 N ASN A 14 140.371 1.855 -1.167 1.00 0.00 N ATOM 209 CA ASN A 14 140.896 3.004 -0.439 1.00 0.00 C ATOM 210 C ASN A 14 142.325 3.301 -0.849 1.00 0.00 C ATOM 211 O ASN A 14 142.603 4.324 -1.480 1.00 0.00 O ATOM 212 CB ASN A 14 140.833 2.744 1.067 1.00 0.00 C ATOM 213 CG ASN A 14 140.020 3.789 1.806 1.00 0.00 C ATOM 214 OD1 ASN A 14 140.572 4.659 2.480 1.00 0.00 O ATOM 215 ND2 ASN A 14 138.701 3.707 1.684 1.00 0.00 N ATOM 0 H ASN A 14 139.924 1.153 -0.577 1.00 0.00 H new ATOM 0 HA ASN A 14 140.281 3.870 -0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 14 140.399 1.760 1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 14 141.845 2.724 1.471 1.00 0.00 H new ATOM 0 HD21 ASN A 14 138.102 4.382 2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 14 138.286 2.969 1.115 1.00 0.00 H new ATOM 222 N LEU A 15 143.232 2.396 -0.506 1.00 0.00 N ATOM 223 CA LEU A 15 144.628 2.568 -0.866 1.00 0.00 C ATOM 224 C LEU A 15 144.738 2.843 -2.361 1.00 0.00 C ATOM 225 O LEU A 15 145.685 3.480 -2.819 1.00 0.00 O ATOM 226 CB LEU A 15 145.439 1.335 -0.480 1.00 0.00 C ATOM 227 CG LEU A 15 146.654 1.612 0.407 1.00 0.00 C ATOM 228 CD1 LEU A 15 147.761 2.270 -0.401 1.00 0.00 C ATOM 229 CD2 LEU A 15 146.261 2.482 1.592 1.00 0.00 C ATOM 0 H LEU A 15 143.027 1.544 0.016 1.00 0.00 H new ATOM 0 HA LEU A 15 145.036 3.418 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 15 144.783 0.634 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.778 0.842 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 15 147.028 0.663 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 15 148.618 2.461 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 15 148.059 1.609 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 15 147.400 3.213 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 15 147.137 2.669 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 15 145.863 3.430 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 15 145.501 1.971 2.183 1.00 0.00 H new ATOM 241 N GLY A 16 143.741 2.375 -3.113 1.00 0.00 N ATOM 242 CA GLY A 16 143.722 2.605 -4.539 1.00 0.00 C ATOM 243 C GLY A 16 143.674 4.083 -4.854 1.00 0.00 C ATOM 244 O GLY A 16 144.317 4.547 -5.794 1.00 0.00 O ATOM 0 H GLY A 16 142.949 1.841 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 16 144.608 2.162 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 16 142.857 2.109 -4.979 1.00 0.00 H new ATOM 248 N LYS A 17 142.922 4.834 -4.047 1.00 0.00 N ATOM 249 CA LYS A 17 142.821 6.274 -4.243 1.00 0.00 C ATOM 250 C LYS A 17 144.179 6.923 -4.000 1.00 0.00 C ATOM 251 O LYS A 17 144.708 7.636 -4.858 1.00 0.00 O ATOM 252 CB LYS A 17 141.774 6.870 -3.300 1.00 0.00 C ATOM 253 CG LYS A 17 140.421 6.181 -3.376 1.00 0.00 C ATOM 254 CD LYS A 17 139.571 6.477 -2.150 1.00 0.00 C ATOM 255 CE LYS A 17 138.371 7.344 -2.497 1.00 0.00 C ATOM 256 NZ LYS A 17 138.647 8.790 -2.279 1.00 0.00 N ATOM 0 H LYS A 17 142.382 4.471 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 17 142.510 6.469 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 17 142.145 6.812 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 17 141.647 7.927 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 17 139.895 6.510 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 17 140.565 5.104 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 17 139.229 5.541 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 17 140.179 6.980 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 17 138.095 7.181 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 17 137.518 7.042 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.804 9.346 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.886 8.951 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 139.445 9.085 -2.877 1.00 0.00 H new ATOM 270 N PHE A 18 144.744 6.657 -2.828 1.00 0.00 N ATOM 271 CA PHE A 18 146.050 7.198 -2.467 1.00 0.00 C ATOM 272 C PHE A 18 147.165 6.514 -3.255 1.00 0.00 C ATOM 273 O PHE A 18 148.310 6.963 -3.244 1.00 0.00 O ATOM 274 CB PHE A 18 146.296 7.041 -0.966 1.00 0.00 C ATOM 275 CG PHE A 18 145.969 8.275 -0.171 1.00 0.00 C ATOM 276 CD1 PHE A 18 144.697 8.470 0.340 1.00 0.00 C ATOM 277 CD2 PHE A 18 146.937 9.239 0.063 1.00 0.00 C ATOM 278 CE1 PHE A 18 144.395 9.602 1.071 1.00 0.00 C ATOM 279 CE2 PHE A 18 146.642 10.375 0.793 1.00 0.00 C ATOM 280 CZ PHE A 18 145.368 10.557 1.297 1.00 0.00 C ATOM 0 H PHE A 18 144.318 6.070 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 18 146.055 8.259 -2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 18 145.698 6.209 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 18 147.342 6.780 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 18 143.932 7.728 0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 18 147.934 9.101 -0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 18 143.399 9.741 1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 18 147.405 11.119 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 18 145.133 11.444 1.867 1.00 0.00 H new ATOM 290 N ALA A 19 146.821 5.430 -3.943 1.00 0.00 N ATOM 291 CA ALA A 19 147.791 4.691 -4.739 1.00 0.00 C ATOM 292 C ALA A 19 148.233 5.515 -5.940 1.00 0.00 C ATOM 293 O ALA A 19 149.392 5.915 -6.036 1.00 0.00 O ATOM 294 CB ALA A 19 147.205 3.361 -5.189 1.00 0.00 C ATOM 0 H ALA A 19 145.877 5.045 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 19 148.666 4.490 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 19 147.942 2.821 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 19 146.937 2.767 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 19 146.315 3.541 -5.792 1.00 0.00 H new ATOM 300 N VAL A 20 147.298 5.776 -6.848 1.00 0.00 N ATOM 301 CA VAL A 20 147.592 6.566 -8.036 1.00 0.00 C ATOM 302 C VAL A 20 148.169 7.922 -7.643 1.00 0.00 C ATOM 303 O VAL A 20 149.085 8.430 -8.290 1.00 0.00 O ATOM 304 CB VAL A 20 146.333 6.776 -8.901 1.00 0.00 C ATOM 305 CG1 VAL A 20 145.262 7.523 -8.119 1.00 0.00 C ATOM 306 CG2 VAL A 20 146.682 7.515 -10.185 1.00 0.00 C ATOM 0 H VAL A 20 146.333 5.452 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 20 148.325 6.013 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 20 145.935 5.798 -9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 20 144.382 7.661 -8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 20 144.989 6.948 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 20 145.646 8.496 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 20 145.780 7.653 -10.782 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.108 8.488 -9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 20 147.408 6.934 -10.754 1.00 0.00 H new ATOM 316 N ASP A 21 147.633 8.496 -6.570 1.00 0.00 N ATOM 317 CA ASP A 21 148.104 9.787 -6.084 1.00 0.00 C ATOM 318 C ASP A 21 149.542 9.682 -5.576 1.00 0.00 C ATOM 319 O ASP A 21 150.254 10.683 -5.491 1.00 0.00 O ATOM 320 CB ASP A 21 147.192 10.297 -4.967 1.00 0.00 C ATOM 321 CG ASP A 21 145.978 11.031 -5.502 1.00 0.00 C ATOM 322 OD1 ASP A 21 146.159 11.961 -6.317 1.00 0.00 O ATOM 323 OD2 ASP A 21 144.848 10.675 -5.109 1.00 0.00 O ATOM 0 H ASP A 21 146.875 8.089 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 21 148.080 10.494 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 21 146.865 9.456 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 21 147.758 10.963 -4.315 1.00 0.00 H new ATOM 328 N GLU A 22 149.962 8.464 -5.241 1.00 0.00 N ATOM 329 CA GLU A 22 151.313 8.227 -4.742 1.00 0.00 C ATOM 330 C GLU A 22 152.194 7.575 -5.807 1.00 0.00 C ATOM 331 O GLU A 22 153.420 7.582 -5.696 1.00 0.00 O ATOM 332 CB GLU A 22 151.267 7.340 -3.497 1.00 0.00 C ATOM 333 CG GLU A 22 150.647 8.022 -2.290 1.00 0.00 C ATOM 334 CD GLU A 22 151.573 9.040 -1.656 1.00 0.00 C ATOM 335 OE1 GLU A 22 152.761 8.716 -1.449 1.00 0.00 O ATOM 336 OE2 GLU A 22 151.110 10.165 -1.366 1.00 0.00 O ATOM 0 H GLU A 22 149.385 7.626 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 22 151.747 9.193 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 22 150.701 6.437 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 22 152.280 7.026 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 22 149.723 8.515 -2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 22 150.380 7.269 -1.549 1.00 0.00 H new ATOM 343 N GLU A 23 151.568 7.011 -6.836 1.00 0.00 N ATOM 344 CA GLU A 23 152.304 6.354 -7.913 1.00 0.00 C ATOM 345 C GLU A 23 153.410 7.258 -8.454 1.00 0.00 C ATOM 346 O GLU A 23 154.419 6.780 -8.973 1.00 0.00 O ATOM 347 CB GLU A 23 151.350 5.964 -9.045 1.00 0.00 C ATOM 348 CG GLU A 23 152.016 5.167 -10.153 1.00 0.00 C ATOM 349 CD GLU A 23 151.015 4.572 -11.126 1.00 0.00 C ATOM 350 OE1 GLU A 23 149.890 5.106 -11.217 1.00 0.00 O ATOM 351 OE2 GLU A 23 151.358 3.577 -11.797 1.00 0.00 O ATOM 0 H GLU A 23 150.554 6.995 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 23 152.765 5.454 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.528 5.379 -8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 23 150.915 6.868 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 23 152.705 5.813 -10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 23 152.610 4.366 -9.713 1.00 0.00 H new ATOM 358 N ASN A 24 153.211 8.566 -8.330 1.00 0.00 N ATOM 359 CA ASN A 24 154.189 9.538 -8.807 1.00 0.00 C ATOM 360 C ASN A 24 155.387 9.632 -7.863 1.00 0.00 C ATOM 361 O ASN A 24 156.469 10.058 -8.265 1.00 0.00 O ATOM 362 CB ASN A 24 153.538 10.914 -8.956 1.00 0.00 C ATOM 363 CG ASN A 24 152.863 11.090 -10.304 1.00 0.00 C ATOM 364 OD1 ASN A 24 153.188 12.007 -11.059 1.00 0.00 O ATOM 365 ND2 ASN A 24 151.917 10.210 -10.611 1.00 0.00 N ATOM 0 H ASN A 24 152.381 8.978 -7.903 1.00 0.00 H new ATOM 0 HA ASN A 24 154.547 9.200 -9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 24 152.803 11.053 -8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 24 154.295 11.687 -8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 24 151.427 10.278 -11.503 1.00 0.00 H new ATOM 0 HD22 ASN A 24 151.680 9.466 -9.955 1.00 0.00 H new ATOM 372 N LYS A 25 155.191 9.238 -6.607 1.00 0.00 N ATOM 373 CA LYS A 25 156.262 9.288 -5.617 1.00 0.00 C ATOM 374 C LYS A 25 157.357 8.271 -5.936 1.00 0.00 C ATOM 375 O LYS A 25 158.407 8.628 -6.470 1.00 0.00 O ATOM 376 CB LYS A 25 155.706 9.038 -4.213 1.00 0.00 C ATOM 377 CG LYS A 25 155.607 10.297 -3.366 1.00 0.00 C ATOM 378 CD LYS A 25 155.406 9.968 -1.896 1.00 0.00 C ATOM 379 CE LYS A 25 156.373 10.741 -1.012 1.00 0.00 C ATOM 380 NZ LYS A 25 157.410 9.854 -0.416 1.00 0.00 N ATOM 0 H LYS A 25 154.303 8.882 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 25 156.702 10.285 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 25 154.717 8.588 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 25 156.342 8.315 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 25 156.514 10.889 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 25 154.777 10.909 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 25 154.381 10.202 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 25 155.545 8.898 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 25 156.857 11.522 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 25 155.819 11.238 -0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 158.333 10.333 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 157.158 9.638 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 157.465 8.970 -0.961 1.00 0.00 H new ATOM 394 N ILE A 26 157.111 7.007 -5.601 1.00 0.00 N ATOM 395 CA ILE A 26 158.084 5.945 -5.849 1.00 0.00 C ATOM 396 C ILE A 26 158.631 6.009 -7.276 1.00 0.00 C ATOM 397 O ILE A 26 159.838 5.904 -7.494 1.00 0.00 O ATOM 398 CB ILE A 26 157.470 4.551 -5.586 1.00 0.00 C ATOM 399 CG1 ILE A 26 158.575 3.498 -5.417 1.00 0.00 C ATOM 400 CG2 ILE A 26 156.505 4.158 -6.700 1.00 0.00 C ATOM 401 CD1 ILE A 26 159.192 3.024 -6.718 1.00 0.00 C ATOM 0 H ILE A 26 156.248 6.693 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 26 158.910 6.101 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 26 156.901 4.600 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 26 159.361 3.912 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 26 158.163 2.638 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 26 156.088 3.173 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 26 155.699 4.889 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 26 157.038 4.130 -7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 26 159.962 2.282 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 26 158.420 2.577 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 26 159.638 3.871 -7.239 1.00 0.00 H new ATOM 413 N GLY A 27 157.735 6.186 -8.243 1.00 0.00 N ATOM 414 CA GLY A 27 158.151 6.261 -9.632 1.00 0.00 C ATOM 415 C GLY A 27 158.339 7.688 -10.109 1.00 0.00 C ATOM 416 O GLY A 27 158.198 8.633 -9.333 1.00 0.00 O ATOM 0 H GLY A 27 156.731 6.279 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 27 159.085 5.714 -9.757 1.00 0.00 H new ATOM 0 HA3 GLY A 27 157.407 5.768 -10.257 1.00 0.00 H new ATOM 420 N GLN A 28 158.658 7.842 -11.390 1.00 0.00 N ATOM 421 CA GLN A 28 158.866 9.163 -11.972 1.00 0.00 C ATOM 422 C GLN A 28 157.669 9.577 -12.823 1.00 0.00 C ATOM 423 O GLN A 28 157.334 10.758 -12.905 1.00 0.00 O ATOM 424 CB GLN A 28 160.139 9.174 -12.825 1.00 0.00 C ATOM 425 CG GLN A 28 161.399 8.844 -12.040 1.00 0.00 C ATOM 426 CD GLN A 28 162.519 9.835 -12.294 1.00 0.00 C ATOM 427 OE1 GLN A 28 162.988 10.508 -11.376 1.00 0.00 O ATOM 428 NE2 GLN A 28 162.953 9.930 -13.546 1.00 0.00 N ATOM 0 H GLN A 28 158.778 7.069 -12.044 1.00 0.00 H new ATOM 0 HA GLN A 28 158.976 9.878 -11.157 1.00 0.00 H new ATOM 0 HB2 GLN A 28 160.028 8.456 -13.638 1.00 0.00 H new ATOM 0 HB3 GLN A 28 160.252 10.157 -13.282 1.00 0.00 H new ATOM 0 HG2 GLN A 28 161.166 8.829 -10.975 1.00 0.00 H new ATOM 0 HG3 GLN A 28 161.737 7.843 -12.306 1.00 0.00 H new ATOM 0 HE21 GLN A 28 162.535 9.353 -14.276 1.00 0.00 H new ATOM 0 HE22 GLN A 28 163.704 10.580 -13.777 1.00 0.00 H new ATOM 437 N TYR A 29 157.031 8.597 -13.453 1.00 0.00 N ATOM 438 CA TYR A 29 155.871 8.860 -14.296 1.00 0.00 C ATOM 439 C TYR A 29 154.773 7.829 -14.047 1.00 0.00 C ATOM 440 O TYR A 29 154.870 6.686 -14.491 1.00 0.00 O ATOM 441 CB TYR A 29 156.273 8.850 -15.772 1.00 0.00 C ATOM 442 CG TYR A 29 156.384 10.231 -16.379 1.00 0.00 C ATOM 443 CD1 TYR A 29 157.496 11.028 -16.142 1.00 0.00 C ATOM 444 CD2 TYR A 29 155.374 10.735 -17.191 1.00 0.00 C ATOM 445 CE1 TYR A 29 157.599 12.290 -16.695 1.00 0.00 C ATOM 446 CE2 TYR A 29 155.471 11.997 -17.747 1.00 0.00 C ATOM 447 CZ TYR A 29 156.585 12.770 -17.497 1.00 0.00 C ATOM 448 OH TYR A 29 156.684 14.026 -18.049 1.00 0.00 O ATOM 0 H TYR A 29 157.297 7.614 -13.396 1.00 0.00 H new ATOM 0 HA TYR A 29 155.483 9.846 -14.040 1.00 0.00 H new ATOM 0 HB2 TYR A 29 157.230 8.339 -15.876 1.00 0.00 H new ATOM 0 HB3 TYR A 29 155.540 8.272 -16.336 1.00 0.00 H new ATOM 0 HD1 TYR A 29 158.293 10.656 -15.516 1.00 0.00 H new ATOM 0 HD2 TYR A 29 154.501 10.132 -17.390 1.00 0.00 H new ATOM 0 HE1 TYR A 29 158.470 12.898 -16.500 1.00 0.00 H new ATOM 0 HE2 TYR A 29 154.678 12.376 -18.374 1.00 0.00 H new ATOM 0 HH TYR A 29 155.886 14.210 -18.588 1.00 0.00 H new ATOM 458 N GLY A 30 153.731 8.243 -13.333 1.00 0.00 N ATOM 459 CA GLY A 30 152.633 7.344 -13.036 1.00 0.00 C ATOM 460 C GLY A 30 151.588 7.323 -14.134 1.00 0.00 C ATOM 461 O GLY A 30 151.793 7.893 -15.206 1.00 0.00 O ATOM 0 H GLY A 30 153.628 9.185 -12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 30 153.022 6.336 -12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 30 152.165 7.644 -12.099 1.00 0.00 H new ATOM 465 N ARG A 31 150.464 6.664 -13.867 1.00 0.00 N ATOM 466 CA ARG A 31 149.383 6.569 -14.841 1.00 0.00 C ATOM 467 C ARG A 31 148.081 6.150 -14.164 1.00 0.00 C ATOM 468 O ARG A 31 148.002 6.081 -12.938 1.00 0.00 O ATOM 469 CB ARG A 31 149.748 5.570 -15.942 1.00 0.00 C ATOM 470 CG ARG A 31 150.193 6.227 -17.238 1.00 0.00 C ATOM 471 CD ARG A 31 149.092 7.092 -17.831 1.00 0.00 C ATOM 472 NE ARG A 31 148.402 6.422 -18.930 1.00 0.00 N ATOM 473 CZ ARG A 31 147.435 6.984 -19.652 1.00 0.00 C ATOM 474 NH1 ARG A 31 147.043 8.226 -19.395 1.00 0.00 N ATOM 475 NH2 ARG A 31 146.859 6.303 -20.633 1.00 0.00 N ATOM 0 H ARG A 31 150.279 6.188 -12.984 1.00 0.00 H new ATOM 0 HA ARG A 31 149.239 7.552 -15.289 1.00 0.00 H new ATOM 0 HB2 ARG A 31 150.546 4.920 -15.581 1.00 0.00 H new ATOM 0 HB3 ARG A 31 148.886 4.934 -16.144 1.00 0.00 H new ATOM 0 HG2 ARG A 31 151.077 6.837 -17.053 1.00 0.00 H new ATOM 0 HG3 ARG A 31 150.481 5.459 -17.956 1.00 0.00 H new ATOM 0 HD2 ARG A 31 148.372 7.347 -17.053 1.00 0.00 H new ATOM 0 HD3 ARG A 31 149.520 8.029 -18.189 1.00 0.00 H new ATOM 0 HE ARG A 31 148.677 5.467 -19.158 1.00 0.00 H new ATOM 0 HH11 ARG A 31 147.483 8.754 -18.642 1.00 0.00 H new ATOM 0 HH12 ARG A 31 146.302 8.652 -19.951 1.00 0.00 H new ATOM 0 HH21 ARG A 31 147.157 5.348 -20.834 1.00 0.00 H new ATOM 0 HH22 ARG A 31 146.118 6.734 -21.186 1.00 0.00 H new ATOM 489 N LEU A 32 147.061 5.871 -14.971 1.00 0.00 N ATOM 490 CA LEU A 32 145.765 5.460 -14.447 1.00 0.00 C ATOM 491 C LEU A 32 145.844 4.060 -13.845 1.00 0.00 C ATOM 492 O LEU A 32 146.533 3.186 -14.369 1.00 0.00 O ATOM 493 CB LEU A 32 144.706 5.498 -15.553 1.00 0.00 C ATOM 494 CG LEU A 32 143.459 6.319 -15.224 1.00 0.00 C ATOM 495 CD1 LEU A 32 142.449 6.233 -16.358 1.00 0.00 C ATOM 496 CD2 LEU A 32 142.838 5.845 -13.919 1.00 0.00 C ATOM 0 H LEU A 32 147.108 5.922 -15.989 1.00 0.00 H new ATOM 0 HA LEU A 32 145.479 6.159 -13.661 1.00 0.00 H new ATOM 0 HB2 LEU A 32 145.161 5.902 -16.457 1.00 0.00 H new ATOM 0 HB3 LEU A 32 144.401 4.476 -15.779 1.00 0.00 H new ATOM 0 HG LEU A 32 143.755 7.361 -15.106 1.00 0.00 H new ATOM 0 HD11 LEU A 32 141.568 6.823 -16.106 1.00 0.00 H new ATOM 0 HD12 LEU A 32 142.896 6.621 -17.273 1.00 0.00 H new ATOM 0 HD13 LEU A 32 142.158 5.193 -16.508 1.00 0.00 H new ATOM 0 HD21 LEU A 32 141.952 6.440 -13.700 1.00 0.00 H new ATOM 0 HD22 LEU A 32 142.557 4.796 -14.010 1.00 0.00 H new ATOM 0 HD23 LEU A 32 143.560 5.959 -13.110 1.00 0.00 H new ATOM 508 N THR A 33 145.138 3.858 -12.736 1.00 0.00 N ATOM 509 CA THR A 33 145.131 2.566 -12.062 1.00 0.00 C ATOM 510 C THR A 33 143.875 2.406 -11.208 1.00 0.00 C ATOM 511 O THR A 33 143.930 1.874 -10.099 1.00 0.00 O ATOM 512 CB THR A 33 146.378 2.426 -11.183 1.00 0.00 C ATOM 513 OG1 THR A 33 147.376 3.352 -11.577 1.00 0.00 O ATOM 514 CG2 THR A 33 146.994 1.044 -11.228 1.00 0.00 C ATOM 0 H THR A 33 144.565 4.572 -12.287 1.00 0.00 H new ATOM 0 HA THR A 33 145.135 1.784 -12.821 1.00 0.00 H new ATOM 0 HB THR A 33 146.035 2.620 -10.167 1.00 0.00 H new ATOM 0 HG1 THR A 33 148.164 3.248 -11.003 1.00 0.00 H new ATOM 0 HG21 THR A 33 147.872 1.016 -10.583 1.00 0.00 H new ATOM 0 HG22 THR A 33 146.266 0.310 -10.882 1.00 0.00 H new ATOM 0 HG23 THR A 33 147.288 0.810 -12.251 1.00 0.00 H new ATOM 522 N PHE A 34 142.745 2.880 -11.725 1.00 0.00 N ATOM 523 CA PHE A 34 141.482 2.797 -11.000 1.00 0.00 C ATOM 524 C PHE A 34 140.561 1.716 -11.568 1.00 0.00 C ATOM 525 O PHE A 34 139.374 1.681 -11.248 1.00 0.00 O ATOM 526 CB PHE A 34 140.772 4.152 -11.026 1.00 0.00 C ATOM 527 CG PHE A 34 140.728 4.831 -9.687 1.00 0.00 C ATOM 528 CD1 PHE A 34 140.359 4.127 -8.552 1.00 0.00 C ATOM 529 CD2 PHE A 34 141.056 6.170 -9.562 1.00 0.00 C ATOM 530 CE1 PHE A 34 140.318 4.747 -7.318 1.00 0.00 C ATOM 531 CE2 PHE A 34 141.019 6.797 -8.331 1.00 0.00 C ATOM 532 CZ PHE A 34 140.647 6.084 -7.207 1.00 0.00 C ATOM 0 H PHE A 34 142.678 3.324 -12.641 1.00 0.00 H new ATOM 0 HA PHE A 34 141.715 2.523 -9.971 1.00 0.00 H new ATOM 0 HB2 PHE A 34 141.277 4.804 -11.739 1.00 0.00 H new ATOM 0 HB3 PHE A 34 139.753 4.013 -11.388 1.00 0.00 H new ATOM 0 HD1 PHE A 34 140.100 3.082 -8.633 1.00 0.00 H new ATOM 0 HD2 PHE A 34 141.345 6.732 -10.438 1.00 0.00 H new ATOM 0 HE1 PHE A 34 140.029 4.187 -6.441 1.00 0.00 H new ATOM 0 HE2 PHE A 34 141.280 7.842 -8.248 1.00 0.00 H new ATOM 0 HZ PHE A 34 140.614 6.571 -6.244 1.00 0.00 H new ATOM 542 N ASN A 35 141.100 0.833 -12.408 1.00 0.00 N ATOM 543 CA ASN A 35 140.296 -0.233 -12.996 1.00 0.00 C ATOM 544 C ASN A 35 139.702 -1.127 -11.910 1.00 0.00 C ATOM 545 O ASN A 35 138.524 -1.015 -11.576 1.00 0.00 O ATOM 546 CB ASN A 35 141.142 -1.066 -13.961 1.00 0.00 C ATOM 547 CG ASN A 35 140.647 -0.974 -15.390 1.00 0.00 C ATOM 548 OD1 ASN A 35 140.290 -1.981 -16.002 1.00 0.00 O ATOM 549 ND2 ASN A 35 140.621 0.239 -15.932 1.00 0.00 N ATOM 0 H ASN A 35 142.079 0.835 -12.693 1.00 0.00 H new ATOM 0 HA ASN A 35 139.477 0.225 -13.550 1.00 0.00 H new ATOM 0 HB2 ASN A 35 142.178 -0.729 -13.916 1.00 0.00 H new ATOM 0 HB3 ASN A 35 141.132 -2.108 -13.642 1.00 0.00 H new ATOM 0 HD21 ASN A 35 140.296 0.362 -16.891 1.00 0.00 H new ATOM 0 HD22 ASN A 35 140.926 1.047 -15.389 1.00 0.00 H new ATOM 556 N LYS A 36 140.529 -2.013 -11.363 1.00 0.00 N ATOM 557 CA LYS A 36 140.088 -2.926 -10.315 1.00 0.00 C ATOM 558 C LYS A 36 141.121 -2.995 -9.194 1.00 0.00 C ATOM 559 O LYS A 36 142.010 -3.844 -9.207 1.00 0.00 O ATOM 560 CB LYS A 36 139.844 -4.321 -10.892 1.00 0.00 C ATOM 561 CG LYS A 36 138.556 -4.966 -10.404 1.00 0.00 C ATOM 562 CD LYS A 36 138.327 -6.320 -11.058 1.00 0.00 C ATOM 563 CE LYS A 36 138.016 -7.393 -10.026 1.00 0.00 C ATOM 564 NZ LYS A 36 138.454 -8.742 -10.477 1.00 0.00 N ATOM 0 H LYS A 36 141.508 -2.118 -11.629 1.00 0.00 H new ATOM 0 HA LYS A 36 139.153 -2.548 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 36 139.818 -4.256 -11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 36 140.684 -4.965 -10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 36 138.596 -5.086 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 36 137.714 -4.309 -10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 36 137.503 -6.247 -11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 36 139.213 -6.605 -11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 36 138.510 -7.147 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 36 136.944 -7.407 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 138.224 -9.444 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 137.964 -8.989 -11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 139.481 -8.737 -10.641 1.00 0.00 H new ATOM 578 N VAL A 37 141.002 -2.093 -8.229 1.00 0.00 N ATOM 579 CA VAL A 37 141.932 -2.052 -7.110 1.00 0.00 C ATOM 580 C VAL A 37 141.452 -2.916 -5.949 1.00 0.00 C ATOM 581 O VAL A 37 140.563 -2.516 -5.198 1.00 0.00 O ATOM 582 CB VAL A 37 142.136 -0.607 -6.608 1.00 0.00 C ATOM 583 CG1 VAL A 37 143.034 -0.581 -5.380 1.00 0.00 C ATOM 584 CG2 VAL A 37 142.707 0.265 -7.716 1.00 0.00 C ATOM 0 H VAL A 37 140.272 -1.381 -8.199 1.00 0.00 H new ATOM 0 HA VAL A 37 142.880 -2.446 -7.477 1.00 0.00 H new ATOM 0 HB VAL A 37 141.165 -0.204 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 37 143.163 0.448 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 37 142.577 -1.168 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 37 144.006 -1.005 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 37 142.845 1.281 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 37 143.668 -0.137 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 37 142.018 0.277 -8.561 1.00 0.00 H new ATOM 594 N ILE A 38 142.053 -4.094 -5.796 1.00 0.00 N ATOM 595 CA ILE A 38 141.682 -4.993 -4.710 1.00 0.00 C ATOM 596 C ILE A 38 142.775 -6.045 -4.443 1.00 0.00 C ATOM 597 O ILE A 38 143.895 -5.691 -4.039 1.00 0.00 O ATOM 598 CB ILE A 38 140.320 -5.677 -4.985 1.00 0.00 C ATOM 599 CG1 ILE A 38 140.237 -6.146 -6.440 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.173 -4.729 -4.664 1.00 0.00 C ATOM 601 CD1 ILE A 38 139.163 -7.183 -6.681 1.00 0.00 C ATOM 0 H ILE A 38 142.792 -4.444 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 38 141.581 -4.384 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 38 140.237 -6.550 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 38 140.049 -5.284 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 38 141.202 -6.558 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.224 -5.226 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 38 139.220 -4.444 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.253 -3.837 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 38 139.162 -7.468 -7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 38 139.361 -8.061 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 38 138.190 -6.768 -6.417 1.00 0.00 H new ATOM 613 N LYS A 39 142.450 -7.331 -4.666 1.00 0.00 N ATOM 614 CA LYS A 39 143.389 -8.431 -4.455 1.00 0.00 C ATOM 615 C LYS A 39 143.639 -8.690 -2.970 1.00 0.00 C ATOM 616 O LYS A 39 143.405 -7.822 -2.131 1.00 0.00 O ATOM 617 CB LYS A 39 144.707 -8.150 -5.170 1.00 0.00 C ATOM 618 CG LYS A 39 144.631 -8.326 -6.678 1.00 0.00 C ATOM 619 CD LYS A 39 145.123 -9.697 -7.109 1.00 0.00 C ATOM 620 CE LYS A 39 145.076 -9.851 -8.621 1.00 0.00 C ATOM 621 NZ LYS A 39 143.890 -10.635 -9.063 1.00 0.00 N ATOM 0 H LYS A 39 141.532 -7.629 -4.996 1.00 0.00 H new ATOM 0 HA LYS A 39 142.938 -9.330 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 39 145.021 -7.130 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 39 145.475 -8.814 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 39 143.602 -8.188 -7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 39 145.228 -7.555 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 39 146.144 -9.846 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 39 144.510 -10.469 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 39 145.053 -8.865 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 39 145.986 -10.344 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 143.895 -10.717 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 143.924 -11.585 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 143.021 -10.152 -8.758 1.00 0.00 H new ATOM 635 N PRO A 40 144.120 -9.903 -2.632 1.00 0.00 N ATOM 636 CA PRO A 40 144.404 -10.290 -1.245 1.00 0.00 C ATOM 637 C PRO A 40 145.355 -9.315 -0.561 1.00 0.00 C ATOM 638 O PRO A 40 146.569 -9.514 -0.553 1.00 0.00 O ATOM 639 CB PRO A 40 145.059 -11.668 -1.381 1.00 0.00 C ATOM 640 CG PRO A 40 144.575 -12.192 -2.687 1.00 0.00 C ATOM 641 CD PRO A 40 144.421 -10.993 -3.580 1.00 0.00 C ATOM 0 HA PRO A 40 143.503 -10.294 -0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 40 146.146 -11.593 -1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 40 144.772 -12.325 -0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 40 145.284 -12.905 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 40 143.627 -12.717 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 40 145.330 -10.794 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 40 143.618 -11.130 -4.304 1.00 0.00 H new ATOM 649 N CYS A 41 144.789 -8.256 0.003 1.00 0.00 N ATOM 650 CA CYS A 41 145.577 -7.234 0.682 1.00 0.00 C ATOM 651 C CYS A 41 145.682 -7.500 2.178 1.00 0.00 C ATOM 652 O CYS A 41 145.213 -8.524 2.675 1.00 0.00 O ATOM 653 CB CYS A 41 144.955 -5.864 0.445 1.00 0.00 C ATOM 654 SG CYS A 41 144.808 -5.433 -1.299 1.00 0.00 S ATOM 0 H CYS A 41 143.784 -8.081 0.004 1.00 0.00 H new ATOM 0 HA CYS A 41 146.585 -7.261 0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 41 143.966 -5.839 0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 41 145.558 -5.108 0.948 1.00 0.00 H new ATOM 0 HG CYS A 41 144.117 -6.346 -1.915 1.00 0.00 H new ATOM 660 N MET A 42 146.302 -6.562 2.890 1.00 0.00 N ATOM 661 CA MET A 42 146.474 -6.681 4.334 1.00 0.00 C ATOM 662 C MET A 42 147.154 -5.441 4.905 1.00 0.00 C ATOM 663 O MET A 42 147.806 -4.687 4.180 1.00 0.00 O ATOM 664 CB MET A 42 147.294 -7.931 4.668 1.00 0.00 C ATOM 665 CG MET A 42 146.452 -9.101 5.149 1.00 0.00 C ATOM 666 SD MET A 42 147.317 -10.135 6.345 1.00 0.00 S ATOM 667 CE MET A 42 146.944 -11.770 5.714 1.00 0.00 C ATOM 0 H MET A 42 146.694 -5.710 2.489 1.00 0.00 H new ATOM 0 HA MET A 42 145.487 -6.771 4.788 1.00 0.00 H new ATOM 0 HB2 MET A 42 147.853 -8.236 3.783 1.00 0.00 H new ATOM 0 HB3 MET A 42 148.026 -7.681 5.436 1.00 0.00 H new ATOM 0 HG2 MET A 42 145.534 -8.722 5.599 1.00 0.00 H new ATOM 0 HG3 MET A 42 146.160 -9.709 4.293 1.00 0.00 H new ATOM 0 HE1 MET A 42 147.412 -12.521 6.350 1.00 0.00 H new ATOM 0 HE2 MET A 42 145.864 -11.920 5.709 1.00 0.00 H new ATOM 0 HE3 MET A 42 147.328 -11.864 4.698 1.00 0.00 H new ATOM 677 N LYS A 43 147.000 -5.236 6.209 1.00 0.00 N ATOM 678 CA LYS A 43 147.599 -4.089 6.883 1.00 0.00 C ATOM 679 C LYS A 43 148.415 -4.546 8.090 1.00 0.00 C ATOM 680 O LYS A 43 148.282 -5.682 8.544 1.00 0.00 O ATOM 681 CB LYS A 43 146.513 -3.106 7.327 1.00 0.00 C ATOM 682 CG LYS A 43 146.703 -1.701 6.780 1.00 0.00 C ATOM 683 CD LYS A 43 146.441 -0.647 7.844 1.00 0.00 C ATOM 684 CE LYS A 43 147.737 -0.092 8.414 1.00 0.00 C ATOM 685 NZ LYS A 43 147.724 -0.069 9.901 1.00 0.00 N ATOM 0 H LYS A 43 146.464 -5.851 6.822 1.00 0.00 H new ATOM 0 HA LYS A 43 148.264 -3.586 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 43 145.541 -3.483 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 43 146.496 -3.064 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 43 147.719 -1.592 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 43 146.030 -1.544 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 43 145.854 0.165 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 43 145.846 -1.081 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 43 148.575 -0.697 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 43 147.896 0.918 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 148.691 -0.204 10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 147.357 0.847 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 147.114 -0.834 10.255 1.00 0.00 H new ATOM 699 N LYS A 44 149.263 -3.660 8.607 1.00 0.00 N ATOM 700 CA LYS A 44 150.095 -3.988 9.761 1.00 0.00 C ATOM 701 C LYS A 44 150.358 -2.758 10.625 1.00 0.00 C ATOM 702 O LYS A 44 151.059 -1.833 10.213 1.00 0.00 O ATOM 703 CB LYS A 44 151.422 -4.591 9.297 1.00 0.00 C ATOM 704 CG LYS A 44 152.162 -5.349 10.389 1.00 0.00 C ATOM 705 CD LYS A 44 152.841 -6.594 9.842 1.00 0.00 C ATOM 706 CE LYS A 44 154.240 -6.763 10.412 1.00 0.00 C ATOM 707 NZ LYS A 44 154.847 -8.065 10.018 1.00 0.00 N ATOM 0 H LYS A 44 149.392 -2.714 8.247 1.00 0.00 H new ATOM 0 HA LYS A 44 149.556 -4.718 10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 44 151.233 -5.266 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 44 152.063 -3.793 8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 44 152.908 -4.697 10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 44 151.462 -5.631 11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 44 152.241 -7.472 10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 44 152.895 -6.532 8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 44 154.874 -5.947 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 44 154.200 -6.695 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 155.800 -8.141 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 154.256 -8.845 10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 154.909 -8.119 8.981 1.00 0.00 H new ATOM 721 N THR A 45 149.792 -2.755 11.829 1.00 0.00 N ATOM 722 CA THR A 45 149.959 -1.651 12.753 1.00 0.00 C ATOM 723 C THR A 45 151.022 -1.970 13.802 1.00 0.00 C ATOM 724 O THR A 45 151.152 -3.112 14.241 1.00 0.00 O ATOM 725 CB THR A 45 148.630 -1.321 13.438 1.00 0.00 C ATOM 726 OG1 THR A 45 147.655 -0.939 12.484 1.00 0.00 O ATOM 727 CG2 THR A 45 148.740 -0.206 14.457 1.00 0.00 C ATOM 0 H THR A 45 149.210 -3.514 12.184 1.00 0.00 H new ATOM 0 HA THR A 45 150.289 -0.783 12.182 1.00 0.00 H new ATOM 0 HB THR A 45 148.338 -2.235 13.956 1.00 0.00 H new ATOM 0 HG1 THR A 45 146.813 -0.734 12.941 1.00 0.00 H new ATOM 0 HG21 THR A 45 147.763 -0.024 14.904 1.00 0.00 H new ATOM 0 HG22 THR A 45 149.447 -0.493 15.235 1.00 0.00 H new ATOM 0 HG23 THR A 45 149.090 0.702 13.966 1.00 0.00 H new ATOM 735 N ILE A 46 151.775 -0.949 14.202 1.00 0.00 N ATOM 736 CA ILE A 46 152.824 -1.120 15.206 1.00 0.00 C ATOM 737 C ILE A 46 152.858 0.058 16.175 1.00 0.00 C ATOM 738 O ILE A 46 153.698 0.950 16.055 1.00 0.00 O ATOM 739 CB ILE A 46 154.214 -1.276 14.554 1.00 0.00 C ATOM 740 CG1 ILE A 46 154.204 -2.434 13.558 1.00 0.00 C ATOM 741 CG2 ILE A 46 155.282 -1.494 15.615 1.00 0.00 C ATOM 742 CD1 ILE A 46 153.858 -2.010 12.150 1.00 0.00 C ATOM 0 H ILE A 46 151.680 0.003 13.848 1.00 0.00 H new ATOM 0 HA ILE A 46 152.586 -2.032 15.754 1.00 0.00 H new ATOM 0 HB ILE A 46 154.450 -0.357 14.017 1.00 0.00 H new ATOM 0 HG12 ILE A 46 155.184 -2.910 13.556 1.00 0.00 H new ATOM 0 HG13 ILE A 46 153.486 -3.184 13.891 1.00 0.00 H new ATOM 0 HG21 ILE A 46 156.255 -1.602 15.135 1.00 0.00 H new ATOM 0 HG22 ILE A 46 155.303 -0.639 16.291 1.00 0.00 H new ATOM 0 HG23 ILE A 46 155.054 -2.398 16.180 1.00 0.00 H new ATOM 0 HD11 ILE A 46 153.869 -2.881 11.495 1.00 0.00 H new ATOM 0 HD12 ILE A 46 152.865 -1.560 12.139 1.00 0.00 H new ATOM 0 HD13 ILE A 46 154.590 -1.283 11.799 1.00 0.00 H new ATOM 754 N TYR A 47 151.939 0.056 17.133 1.00 0.00 N ATOM 755 CA TYR A 47 151.866 1.128 18.120 1.00 0.00 C ATOM 756 C TYR A 47 152.580 0.735 19.412 1.00 0.00 C ATOM 757 O TYR A 47 152.572 -0.428 19.812 1.00 0.00 O ATOM 758 CB TYR A 47 150.402 1.496 18.401 1.00 0.00 C ATOM 759 CG TYR A 47 149.756 0.697 19.518 1.00 0.00 C ATOM 760 CD1 TYR A 47 149.856 -0.687 19.558 1.00 0.00 C ATOM 761 CD2 TYR A 47 149.048 1.333 20.529 1.00 0.00 C ATOM 762 CE1 TYR A 47 149.267 -1.416 20.574 1.00 0.00 C ATOM 763 CE2 TYR A 47 148.457 0.611 21.549 1.00 0.00 C ATOM 764 CZ TYR A 47 148.570 -0.763 21.567 1.00 0.00 C ATOM 765 OH TYR A 47 147.983 -1.485 22.581 1.00 0.00 O ATOM 0 H TYR A 47 151.235 -0.674 17.248 1.00 0.00 H new ATOM 0 HA TYR A 47 152.373 2.002 17.711 1.00 0.00 H new ATOM 0 HB2 TYR A 47 150.348 2.556 18.651 1.00 0.00 H new ATOM 0 HB3 TYR A 47 149.823 1.354 17.488 1.00 0.00 H new ATOM 0 HD1 TYR A 47 150.403 -1.203 18.783 1.00 0.00 H new ATOM 0 HD2 TYR A 47 148.958 2.409 20.518 1.00 0.00 H new ATOM 0 HE1 TYR A 47 149.353 -2.492 20.589 1.00 0.00 H new ATOM 0 HE2 TYR A 47 147.909 1.121 22.328 1.00 0.00 H new ATOM 0 HH TYR A 47 147.532 -0.873 23.199 1.00 0.00 H new ATOM 775 N GLU A 48 153.195 1.721 20.061 1.00 0.00 N ATOM 776 CA GLU A 48 153.913 1.484 21.308 1.00 0.00 C ATOM 777 C GLU A 48 152.943 1.344 22.473 1.00 0.00 C ATOM 778 O GLU A 48 152.641 0.238 22.923 1.00 0.00 O ATOM 779 CB GLU A 48 154.909 2.617 21.573 1.00 0.00 C ATOM 780 CG GLU A 48 155.675 2.469 22.880 1.00 0.00 C ATOM 781 CD GLU A 48 156.967 1.693 22.714 1.00 0.00 C ATOM 782 OE1 GLU A 48 156.995 0.759 21.886 1.00 0.00 O ATOM 783 OE2 GLU A 48 157.949 2.021 23.412 1.00 0.00 O ATOM 0 H GLU A 48 153.210 2.690 19.743 1.00 0.00 H new ATOM 0 HA GLU A 48 154.466 0.549 21.212 1.00 0.00 H new ATOM 0 HB2 GLU A 48 155.621 2.663 20.749 1.00 0.00 H new ATOM 0 HB3 GLU A 48 154.372 3.565 21.583 1.00 0.00 H new ATOM 0 HG2 GLU A 48 155.898 3.458 23.280 1.00 0.00 H new ATOM 0 HG3 GLU A 48 155.044 1.964 23.612 1.00 0.00 H new ATOM 790 N ASN A 49 152.464 2.475 22.947 1.00 0.00 N ATOM 791 CA ASN A 49 151.523 2.513 24.061 1.00 0.00 C ATOM 792 C ASN A 49 150.955 3.917 24.235 1.00 0.00 C ATOM 793 O ASN A 49 149.744 4.125 24.158 1.00 0.00 O ATOM 794 CB ASN A 49 152.208 2.057 25.352 1.00 0.00 C ATOM 795 CG ASN A 49 151.564 0.819 25.943 1.00 0.00 C ATOM 796 OD1 ASN A 49 150.655 0.911 26.769 1.00 0.00 O ATOM 797 ND2 ASN A 49 152.031 -0.351 25.523 1.00 0.00 N ATOM 0 H ASN A 49 152.711 3.393 22.577 1.00 0.00 H new ATOM 0 HA ASN A 49 150.701 1.832 23.840 1.00 0.00 H new ATOM 0 HB2 ASN A 49 153.260 1.854 25.150 1.00 0.00 H new ATOM 0 HB3 ASN A 49 152.174 2.865 26.083 1.00 0.00 H new ATOM 0 HD21 ASN A 49 151.635 -1.218 25.886 1.00 0.00 H new ATOM 0 HD22 ASN A 49 152.785 -0.383 24.837 1.00 0.00 H new ATOM 804 N GLU A 50 151.841 4.880 24.461 1.00 0.00 N ATOM 805 CA GLU A 50 151.436 6.268 24.637 1.00 0.00 C ATOM 806 C GLU A 50 151.705 7.068 23.367 1.00 0.00 C ATOM 807 O GLU A 50 152.092 8.235 23.424 1.00 0.00 O ATOM 808 CB GLU A 50 152.183 6.896 25.816 1.00 0.00 C ATOM 809 CG GLU A 50 151.489 6.692 27.154 1.00 0.00 C ATOM 810 CD GLU A 50 152.435 6.844 28.329 1.00 0.00 C ATOM 811 OE1 GLU A 50 153.099 7.898 28.425 1.00 0.00 O ATOM 812 OE2 GLU A 50 152.511 5.911 29.155 1.00 0.00 O ATOM 0 H GLU A 50 152.847 4.724 24.527 1.00 0.00 H new ATOM 0 HA GLU A 50 150.366 6.288 24.845 1.00 0.00 H new ATOM 0 HB2 GLU A 50 153.186 6.472 25.868 1.00 0.00 H new ATOM 0 HB3 GLU A 50 152.298 7.965 25.635 1.00 0.00 H new ATOM 0 HG2 GLU A 50 150.676 7.411 27.251 1.00 0.00 H new ATOM 0 HG3 GLU A 50 151.041 5.699 27.179 1.00 0.00 H new ATOM 819 N ARG A 51 151.500 6.426 22.219 1.00 0.00 N ATOM 820 CA ARG A 51 151.724 7.071 20.929 1.00 0.00 C ATOM 821 C ARG A 51 153.209 7.357 20.723 1.00 0.00 C ATOM 822 O ARG A 51 153.599 8.481 20.404 1.00 0.00 O ATOM 823 CB ARG A 51 150.915 8.369 20.834 1.00 0.00 C ATOM 824 CG ARG A 51 150.188 8.536 19.509 1.00 0.00 C ATOM 825 CD ARG A 51 149.191 7.412 19.276 1.00 0.00 C ATOM 826 NE ARG A 51 148.087 7.829 18.414 1.00 0.00 N ATOM 827 CZ ARG A 51 147.045 8.543 18.837 1.00 0.00 C ATOM 828 NH1 ARG A 51 146.959 8.917 20.108 1.00 0.00 N ATOM 829 NH2 ARG A 51 146.087 8.883 17.987 1.00 0.00 N ATOM 0 H ARG A 51 151.179 5.460 22.157 1.00 0.00 H new ATOM 0 HA ARG A 51 151.390 6.393 20.143 1.00 0.00 H new ATOM 0 HB2 ARG A 51 150.187 8.394 21.644 1.00 0.00 H new ATOM 0 HB3 ARG A 51 151.584 9.216 20.981 1.00 0.00 H new ATOM 0 HG2 ARG A 51 149.668 9.494 19.496 1.00 0.00 H new ATOM 0 HG3 ARG A 51 150.913 8.556 18.695 1.00 0.00 H new ATOM 0 HD2 ARG A 51 149.702 6.562 18.824 1.00 0.00 H new ATOM 0 HD3 ARG A 51 148.795 7.074 20.234 1.00 0.00 H new ATOM 0 HE ARG A 51 148.116 7.558 17.431 1.00 0.00 H new ATOM 0 HH11 ARG A 51 147.693 8.658 20.767 1.00 0.00 H new ATOM 0 HH12 ARG A 51 146.159 9.464 20.426 1.00 0.00 H new ATOM 0 HH21 ARG A 51 146.148 8.598 17.010 1.00 0.00 H new ATOM 0 HH22 ARG A 51 145.289 9.430 18.310 1.00 0.00 H new ATOM 843 N GLU A 52 154.036 6.331 20.915 1.00 0.00 N ATOM 844 CA GLU A 52 155.479 6.478 20.756 1.00 0.00 C ATOM 845 C GLU A 52 155.933 6.081 19.355 1.00 0.00 C ATOM 846 O GLU A 52 157.026 6.447 18.921 1.00 0.00 O ATOM 847 CB GLU A 52 156.218 5.644 21.805 1.00 0.00 C ATOM 848 CG GLU A 52 157.268 6.427 22.574 1.00 0.00 C ATOM 849 CD GLU A 52 157.816 5.660 23.763 1.00 0.00 C ATOM 850 OE1 GLU A 52 158.319 4.534 23.561 1.00 0.00 O ATOM 851 OE2 GLU A 52 157.741 6.185 24.893 1.00 0.00 O ATOM 0 H GLU A 52 153.732 5.394 21.180 1.00 0.00 H new ATOM 0 HA GLU A 52 155.721 7.531 20.900 1.00 0.00 H new ATOM 0 HB2 GLU A 52 155.493 5.236 22.509 1.00 0.00 H new ATOM 0 HB3 GLU A 52 156.696 4.797 21.313 1.00 0.00 H new ATOM 0 HG2 GLU A 52 158.088 6.683 21.903 1.00 0.00 H new ATOM 0 HG3 GLU A 52 156.834 7.365 22.920 1.00 0.00 H new ATOM 858 N ILE A 53 155.091 5.341 18.652 1.00 0.00 N ATOM 859 CA ILE A 53 155.411 4.904 17.297 1.00 0.00 C ATOM 860 C ILE A 53 154.174 4.902 16.405 1.00 0.00 C ATOM 861 O ILE A 53 153.967 5.816 15.606 1.00 0.00 O ATOM 862 CB ILE A 53 156.097 3.509 17.285 1.00 0.00 C ATOM 863 CG1 ILE A 53 156.060 2.890 15.882 1.00 0.00 C ATOM 864 CG2 ILE A 53 155.465 2.570 18.304 1.00 0.00 C ATOM 865 CD1 ILE A 53 156.840 1.598 15.767 1.00 0.00 C ATOM 0 H ILE A 53 154.182 5.029 18.994 1.00 0.00 H new ATOM 0 HA ILE A 53 156.121 5.626 16.892 1.00 0.00 H new ATOM 0 HB ILE A 53 157.140 3.654 17.567 1.00 0.00 H new ATOM 0 HG12 ILE A 53 155.023 2.704 15.604 1.00 0.00 H new ATOM 0 HG13 ILE A 53 156.458 3.609 15.166 1.00 0.00 H new ATOM 0 HG21 ILE A 53 155.968 1.604 18.269 1.00 0.00 H new ATOM 0 HG22 ILE A 53 155.565 2.996 19.302 1.00 0.00 H new ATOM 0 HG23 ILE A 53 154.409 2.438 18.071 1.00 0.00 H new ATOM 0 HD11 ILE A 53 156.768 1.219 14.747 1.00 0.00 H new ATOM 0 HD12 ILE A 53 157.886 1.781 16.013 1.00 0.00 H new ATOM 0 HD13 ILE A 53 156.428 0.862 16.457 1.00 0.00 H new ATOM 877 N LYS A 54 153.370 3.871 16.544 1.00 0.00 N ATOM 878 CA LYS A 54 152.154 3.724 15.753 1.00 0.00 C ATOM 879 C LYS A 54 152.489 3.526 14.279 1.00 0.00 C ATOM 880 O LYS A 54 152.071 4.306 13.424 1.00 0.00 O ATOM 881 CB LYS A 54 151.249 4.947 15.927 1.00 0.00 C ATOM 882 CG LYS A 54 149.773 4.646 15.719 1.00 0.00 C ATOM 883 CD LYS A 54 149.011 4.655 17.034 1.00 0.00 C ATOM 884 CE LYS A 54 147.712 3.873 16.931 1.00 0.00 C ATOM 885 NZ LYS A 54 147.395 3.153 18.194 1.00 0.00 N ATOM 0 H LYS A 54 153.534 3.111 17.204 1.00 0.00 H new ATOM 0 HA LYS A 54 151.623 2.841 16.109 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.391 5.354 16.928 1.00 0.00 H new ATOM 0 HB3 LYS A 54 151.557 5.720 15.222 1.00 0.00 H new ATOM 0 HG2 LYS A 54 149.342 5.384 15.043 1.00 0.00 H new ATOM 0 HG3 LYS A 54 149.663 3.673 15.240 1.00 0.00 H new ATOM 0 HD2 LYS A 54 149.634 4.226 17.819 1.00 0.00 H new ATOM 0 HD3 LYS A 54 148.796 5.683 17.324 1.00 0.00 H new ATOM 0 HE2 LYS A 54 146.897 4.554 16.687 1.00 0.00 H new ATOM 0 HE3 LYS A 54 147.784 3.156 16.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 146.363 3.085 18.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 147.803 2.197 18.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 147.797 3.673 19.000 1.00 0.00 H new ATOM 899 N GLY A 55 153.250 2.475 13.990 1.00 0.00 N ATOM 900 CA GLY A 55 153.631 2.191 12.621 1.00 0.00 C ATOM 901 C GLY A 55 152.554 1.444 11.869 1.00 0.00 C ATOM 902 O GLY A 55 152.380 0.242 12.053 1.00 0.00 O ATOM 0 H GLY A 55 153.609 1.816 14.680 1.00 0.00 H new ATOM 0 HA2 GLY A 55 153.849 3.126 12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 55 154.549 1.603 12.616 1.00 0.00 H new ATOM 906 N TYR A 56 151.826 2.153 11.018 1.00 0.00 N ATOM 907 CA TYR A 56 150.764 1.531 10.245 1.00 0.00 C ATOM 908 C TYR A 56 151.201 1.311 8.800 1.00 0.00 C ATOM 909 O TYR A 56 151.203 2.242 7.992 1.00 0.00 O ATOM 910 CB TYR A 56 149.492 2.382 10.285 1.00 0.00 C ATOM 911 CG TYR A 56 149.736 3.868 10.145 1.00 0.00 C ATOM 912 CD1 TYR A 56 150.104 4.637 11.242 1.00 0.00 C ATOM 913 CD2 TYR A 56 149.591 4.504 8.917 1.00 0.00 C ATOM 914 CE1 TYR A 56 150.323 5.996 11.119 1.00 0.00 C ATOM 915 CE2 TYR A 56 149.808 5.863 8.788 1.00 0.00 C ATOM 916 CZ TYR A 56 150.172 6.603 9.891 1.00 0.00 C ATOM 917 OH TYR A 56 150.388 7.958 9.767 1.00 0.00 O ATOM 0 H TYR A 56 151.951 3.151 10.847 1.00 0.00 H new ATOM 0 HA TYR A 56 150.549 0.562 10.694 1.00 0.00 H new ATOM 0 HB2 TYR A 56 148.826 2.058 9.486 1.00 0.00 H new ATOM 0 HB3 TYR A 56 148.974 2.197 11.226 1.00 0.00 H new ATOM 0 HD1 TYR A 56 150.221 4.165 12.206 1.00 0.00 H new ATOM 0 HD2 TYR A 56 149.304 3.927 8.050 1.00 0.00 H new ATOM 0 HE1 TYR A 56 150.611 6.579 11.981 1.00 0.00 H new ATOM 0 HE2 TYR A 56 149.693 6.342 7.827 1.00 0.00 H new ATOM 0 HH TYR A 56 150.636 8.166 8.842 1.00 0.00 H new ATOM 927 N GLU A 57 151.564 0.074 8.480 1.00 0.00 N ATOM 928 CA GLU A 57 151.992 -0.270 7.130 1.00 0.00 C ATOM 929 C GLU A 57 150.815 -0.814 6.332 1.00 0.00 C ATOM 930 O GLU A 57 150.100 -1.706 6.789 1.00 0.00 O ATOM 931 CB GLU A 57 153.131 -1.292 7.171 1.00 0.00 C ATOM 932 CG GLU A 57 153.584 -1.767 5.798 1.00 0.00 C ATOM 933 CD GLU A 57 154.177 -3.162 5.830 1.00 0.00 C ATOM 934 OE1 GLU A 57 153.785 -3.955 6.712 1.00 0.00 O ATOM 935 OE2 GLU A 57 155.034 -3.462 4.971 1.00 0.00 O ATOM 0 H GLU A 57 151.570 -0.706 9.137 1.00 0.00 H new ATOM 0 HA GLU A 57 152.361 0.631 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 57 153.982 -0.852 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 57 152.811 -2.155 7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 57 152.735 -1.753 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 57 154.324 -1.071 5.403 1.00 0.00 H new ATOM 942 N TYR A 58 150.607 -0.258 5.146 1.00 0.00 N ATOM 943 CA TYR A 58 149.497 -0.677 4.296 1.00 0.00 C ATOM 944 C TYR A 58 149.981 -1.356 3.019 1.00 0.00 C ATOM 945 O TYR A 58 151.031 -1.016 2.478 1.00 0.00 O ATOM 946 CB TYR A 58 148.626 0.530 3.942 1.00 0.00 C ATOM 947 CG TYR A 58 147.142 0.265 4.061 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.508 -0.630 3.211 1.00 0.00 C ATOM 949 CD2 TYR A 58 146.378 0.917 5.018 1.00 0.00 C ATOM 950 CE1 TYR A 58 145.151 -0.869 3.313 1.00 0.00 C ATOM 951 CE2 TYR A 58 145.021 0.681 5.129 1.00 0.00 C ATOM 952 CZ TYR A 58 144.412 -0.212 4.273 1.00 0.00 C ATOM 953 OH TYR A 58 143.061 -0.446 4.377 1.00 0.00 O ATOM 0 H TYR A 58 151.188 0.481 4.751 1.00 0.00 H new ATOM 0 HA TYR A 58 148.910 -1.405 4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 58 148.891 1.362 4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 58 148.850 0.842 2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 58 147.084 -1.148 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 58 146.851 1.620 5.687 1.00 0.00 H new ATOM 0 HE1 TYR A 58 144.671 -1.568 2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 58 144.441 1.193 5.882 1.00 0.00 H new ATOM 0 HH TYR A 58 142.897 -1.412 4.400 1.00 0.00 H new ATOM 963 N GLN A 59 149.196 -2.317 2.541 1.00 0.00 N ATOM 964 CA GLN A 59 149.525 -3.047 1.320 1.00 0.00 C ATOM 965 C GLN A 59 148.279 -3.233 0.457 1.00 0.00 C ATOM 966 O GLN A 59 147.325 -3.892 0.870 1.00 0.00 O ATOM 967 CB GLN A 59 150.136 -4.406 1.662 1.00 0.00 C ATOM 968 CG GLN A 59 151.171 -4.347 2.773 1.00 0.00 C ATOM 969 CD GLN A 59 151.550 -5.720 3.291 1.00 0.00 C ATOM 970 OE1 GLN A 59 151.174 -6.105 4.398 1.00 0.00 O ATOM 971 NE2 GLN A 59 152.299 -6.468 2.490 1.00 0.00 N ATOM 0 H GLN A 59 148.324 -2.609 2.982 1.00 0.00 H new ATOM 0 HA GLN A 59 150.255 -2.466 0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 59 149.339 -5.089 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 59 150.599 -4.822 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 59 152.064 -3.842 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 59 150.782 -3.747 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 59 152.588 -6.109 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 59 152.585 -7.402 2.784 1.00 0.00 H new ATOM 980 N LEU A 60 148.293 -2.648 -0.742 1.00 0.00 N ATOM 981 CA LEU A 60 147.164 -2.747 -1.652 1.00 0.00 C ATOM 982 C LEU A 60 147.626 -3.132 -3.057 1.00 0.00 C ATOM 983 O LEU A 60 148.610 -2.591 -3.559 1.00 0.00 O ATOM 984 CB LEU A 60 146.408 -1.412 -1.699 1.00 0.00 C ATOM 985 CG LEU A 60 144.904 -1.479 -1.404 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.217 -2.493 -2.301 1.00 0.00 C ATOM 987 CD2 LEU A 60 144.657 -1.799 0.064 1.00 0.00 C ATOM 0 H LEU A 60 149.076 -2.102 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 60 146.497 -3.527 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 60 146.868 -0.731 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 60 146.545 -0.975 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 60 144.475 -0.500 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 60 143.152 -2.520 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 60 144.356 -2.209 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 60 144.650 -3.479 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 60 143.584 -1.842 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 60 145.107 -2.762 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 60 145.103 -1.023 0.686 1.00 0.00 H new ATOM 999 N TYR A 61 146.909 -4.057 -3.700 1.00 0.00 N ATOM 1000 CA TYR A 61 147.262 -4.479 -5.047 1.00 0.00 C ATOM 1001 C TYR A 61 146.254 -3.923 -6.043 1.00 0.00 C ATOM 1002 O TYR A 61 145.258 -4.571 -6.363 1.00 0.00 O ATOM 1003 CB TYR A 61 147.313 -6.002 -5.137 1.00 0.00 C ATOM 1004 CG TYR A 61 148.377 -6.632 -4.266 1.00 0.00 C ATOM 1005 CD1 TYR A 61 148.333 -6.506 -2.883 1.00 0.00 C ATOM 1006 CD2 TYR A 61 149.424 -7.352 -4.827 1.00 0.00 C ATOM 1007 CE1 TYR A 61 149.300 -7.082 -2.082 1.00 0.00 C ATOM 1008 CE2 TYR A 61 150.397 -7.931 -4.033 1.00 0.00 C ATOM 1009 CZ TYR A 61 150.330 -7.793 -2.663 1.00 0.00 C ATOM 1010 OH TYR A 61 151.296 -8.368 -1.870 1.00 0.00 O ATOM 0 H TYR A 61 146.089 -4.521 -3.310 1.00 0.00 H new ATOM 0 HA TYR A 61 148.251 -4.090 -5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 61 146.341 -6.406 -4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 61 147.489 -6.289 -6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 61 147.529 -5.948 -2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 61 149.479 -7.461 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 61 149.250 -6.977 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 61 151.205 -8.488 -4.484 1.00 0.00 H new ATOM 0 HH TYR A 61 151.948 -8.833 -2.434 1.00 0.00 H new ATOM 1020 N VAL A 62 146.512 -2.709 -6.513 1.00 0.00 N ATOM 1021 CA VAL A 62 145.622 -2.050 -7.458 1.00 0.00 C ATOM 1022 C VAL A 62 145.603 -2.774 -8.797 1.00 0.00 C ATOM 1023 O VAL A 62 146.300 -2.380 -9.733 1.00 0.00 O ATOM 1024 CB VAL A 62 146.028 -0.580 -7.682 1.00 0.00 C ATOM 1025 CG1 VAL A 62 145.797 0.241 -6.420 1.00 0.00 C ATOM 1026 CG2 VAL A 62 147.479 -0.489 -8.123 1.00 0.00 C ATOM 0 H VAL A 62 147.332 -2.161 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 62 144.623 -2.079 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 62 145.402 -0.169 -8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 62 146.090 1.275 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 62 144.741 0.205 -6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 62 146.394 -0.169 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 62 147.748 0.556 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 62 148.121 -0.920 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 62 147.611 -1.038 -9.055 1.00 0.00 H new ATOM 1036 N TYR A 63 144.798 -3.830 -8.893 1.00 0.00 N ATOM 1037 CA TYR A 63 144.700 -4.587 -10.136 1.00 0.00 C ATOM 1038 C TYR A 63 144.003 -3.757 -11.209 1.00 0.00 C ATOM 1039 O TYR A 63 142.829 -3.967 -11.509 1.00 0.00 O ATOM 1040 CB TYR A 63 143.955 -5.907 -9.918 1.00 0.00 C ATOM 1041 CG TYR A 63 144.083 -6.865 -11.081 1.00 0.00 C ATOM 1042 CD1 TYR A 63 145.208 -7.668 -11.223 1.00 0.00 C ATOM 1043 CD2 TYR A 63 143.083 -6.962 -12.039 1.00 0.00 C ATOM 1044 CE1 TYR A 63 145.332 -8.541 -12.288 1.00 0.00 C ATOM 1045 CE2 TYR A 63 143.199 -7.834 -13.106 1.00 0.00 C ATOM 1046 CZ TYR A 63 144.326 -8.619 -13.225 1.00 0.00 C ATOM 1047 OH TYR A 63 144.448 -9.484 -14.288 1.00 0.00 O ATOM 0 H TYR A 63 144.211 -4.177 -8.134 1.00 0.00 H new ATOM 0 HA TYR A 63 145.711 -4.819 -10.472 1.00 0.00 H new ATOM 0 HB2 TYR A 63 144.337 -6.387 -9.017 1.00 0.00 H new ATOM 0 HB3 TYR A 63 142.900 -5.696 -9.744 1.00 0.00 H new ATOM 0 HD1 TYR A 63 145.999 -7.609 -10.489 1.00 0.00 H new ATOM 0 HD2 TYR A 63 142.200 -6.346 -11.950 1.00 0.00 H new ATOM 0 HE1 TYR A 63 146.213 -9.158 -12.384 1.00 0.00 H new ATOM 0 HE2 TYR A 63 142.411 -7.900 -13.842 1.00 0.00 H new ATOM 0 HH TYR A 63 143.652 -9.418 -14.856 1.00 0.00 H new ATOM 1057 N ALA A 64 144.739 -2.805 -11.772 1.00 0.00 N ATOM 1058 CA ALA A 64 144.199 -1.926 -12.801 1.00 0.00 C ATOM 1059 C ALA A 64 144.151 -2.616 -14.157 1.00 0.00 C ATOM 1060 O ALA A 64 144.450 -3.805 -14.272 1.00 0.00 O ATOM 1061 CB ALA A 64 145.023 -0.653 -12.882 1.00 0.00 C ATOM 0 H ALA A 64 145.713 -2.623 -11.532 1.00 0.00 H new ATOM 0 HA ALA A 64 143.175 -1.673 -12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 64 144.612 -0.002 -13.654 1.00 0.00 H new ATOM 0 HB2 ALA A 64 144.994 -0.139 -11.921 1.00 0.00 H new ATOM 0 HB3 ALA A 64 146.055 -0.903 -13.129 1.00 0.00 H new ATOM 1067 N SER A 65 143.774 -1.860 -15.184 1.00 0.00 N ATOM 1068 CA SER A 65 143.684 -2.396 -16.537 1.00 0.00 C ATOM 1069 C SER A 65 145.072 -2.663 -17.108 1.00 0.00 C ATOM 1070 O SER A 65 145.307 -3.695 -17.738 1.00 0.00 O ATOM 1071 CB SER A 65 142.923 -1.426 -17.443 1.00 0.00 C ATOM 1072 OG SER A 65 141.768 -2.038 -17.990 1.00 0.00 O ATOM 0 H SER A 65 143.526 -0.874 -15.104 1.00 0.00 H new ATOM 0 HA SER A 65 143.141 -3.340 -16.493 1.00 0.00 H new ATOM 0 HB2 SER A 65 142.635 -0.542 -16.874 1.00 0.00 H new ATOM 0 HB3 SER A 65 143.575 -1.088 -18.248 1.00 0.00 H new ATOM 0 HG SER A 65 141.220 -2.409 -17.267 1.00 0.00 H new ATOM 1078 N ASP A 66 145.987 -1.723 -16.891 1.00 0.00 N ATOM 1079 CA ASP A 66 147.348 -1.851 -17.388 1.00 0.00 C ATOM 1080 C ASP A 66 147.987 -3.148 -16.919 1.00 0.00 C ATOM 1081 O ASP A 66 148.653 -3.841 -17.685 1.00 0.00 O ATOM 1082 CB ASP A 66 148.195 -0.657 -16.944 1.00 0.00 C ATOM 1083 CG ASP A 66 149.128 -0.172 -18.037 1.00 0.00 C ATOM 1084 OD1 ASP A 66 148.649 0.515 -18.964 1.00 0.00 O ATOM 1085 OD2 ASP A 66 150.336 -0.480 -17.966 1.00 0.00 O ATOM 0 H ASP A 66 145.807 -0.863 -16.373 1.00 0.00 H new ATOM 0 HA ASP A 66 147.304 -1.869 -18.477 1.00 0.00 H new ATOM 0 HB2 ASP A 66 147.538 0.159 -16.642 1.00 0.00 H new ATOM 0 HB3 ASP A 66 148.780 -0.936 -16.068 1.00 0.00 H new ATOM 1090 N LYS A 67 147.771 -3.460 -15.657 1.00 0.00 N ATOM 1091 CA LYS A 67 148.314 -4.674 -15.054 1.00 0.00 C ATOM 1092 C LYS A 67 147.962 -4.759 -13.570 1.00 0.00 C ATOM 1093 O LYS A 67 147.206 -3.937 -13.048 1.00 0.00 O ATOM 1094 CB LYS A 67 149.835 -4.722 -15.228 1.00 0.00 C ATOM 1095 CG LYS A 67 150.286 -5.599 -16.383 1.00 0.00 C ATOM 1096 CD LYS A 67 151.563 -6.352 -16.045 1.00 0.00 C ATOM 1097 CE LYS A 67 152.778 -5.700 -16.686 1.00 0.00 C ATOM 1098 NZ LYS A 67 154.050 -6.335 -16.243 1.00 0.00 N ATOM 0 H LYS A 67 147.219 -2.887 -15.019 1.00 0.00 H new ATOM 0 HA LYS A 67 147.866 -5.527 -15.564 1.00 0.00 H new ATOM 0 HB2 LYS A 67 150.207 -3.709 -15.385 1.00 0.00 H new ATOM 0 HB3 LYS A 67 150.287 -5.088 -14.306 1.00 0.00 H new ATOM 0 HG2 LYS A 67 149.498 -6.310 -16.631 1.00 0.00 H new ATOM 0 HG3 LYS A 67 150.449 -4.983 -17.267 1.00 0.00 H new ATOM 0 HD2 LYS A 67 151.693 -6.383 -14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 67 151.480 -7.384 -16.386 1.00 0.00 H new ATOM 0 HE2 LYS A 67 152.697 -5.769 -17.771 1.00 0.00 H new ATOM 0 HE3 LYS A 67 152.795 -4.640 -16.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 154.787 -6.172 -16.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 154.348 -5.920 -15.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 153.904 -7.358 -16.123 1.00 0.00 H new ATOM 1112 N LEU A 68 148.520 -5.763 -12.900 1.00 0.00 N ATOM 1113 CA LEU A 68 148.275 -5.967 -11.477 1.00 0.00 C ATOM 1114 C LEU A 68 149.236 -5.136 -10.633 1.00 0.00 C ATOM 1115 O LEU A 68 150.209 -5.657 -10.089 1.00 0.00 O ATOM 1116 CB LEU A 68 148.424 -7.449 -11.123 1.00 0.00 C ATOM 1117 CG LEU A 68 149.769 -8.074 -11.500 1.00 0.00 C ATOM 1118 CD1 LEU A 68 150.230 -9.043 -10.423 1.00 0.00 C ATOM 1119 CD2 LEU A 68 149.671 -8.779 -12.846 1.00 0.00 C ATOM 0 H LEU A 68 149.146 -6.449 -13.321 1.00 0.00 H new ATOM 0 HA LEU A 68 147.257 -5.645 -11.260 1.00 0.00 H new ATOM 0 HB2 LEU A 68 148.274 -7.567 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 68 147.630 -8.007 -11.619 1.00 0.00 H new ATOM 0 HG LEU A 68 150.507 -7.276 -11.582 1.00 0.00 H new ATOM 0 HD11 LEU A 68 151.188 -9.477 -10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 68 150.341 -8.511 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 68 149.492 -9.837 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 150.636 -9.218 -13.098 1.00 0.00 H new ATOM 0 HD22 LEU A 68 148.918 -9.566 -12.791 1.00 0.00 H new ATOM 0 HD23 LEU A 68 149.388 -8.059 -13.614 1.00 0.00 H new ATOM 1131 N PHE A 69 148.955 -3.842 -10.523 1.00 0.00 N ATOM 1132 CA PHE A 69 149.798 -2.943 -9.743 1.00 0.00 C ATOM 1133 C PHE A 69 149.540 -3.118 -8.247 1.00 0.00 C ATOM 1134 O PHE A 69 148.551 -3.731 -7.845 1.00 0.00 O ATOM 1135 CB PHE A 69 149.547 -1.491 -10.156 1.00 0.00 C ATOM 1136 CG PHE A 69 150.169 -1.128 -11.476 1.00 0.00 C ATOM 1137 CD1 PHE A 69 149.732 -1.722 -12.648 1.00 0.00 C ATOM 1138 CD2 PHE A 69 151.187 -0.191 -11.543 1.00 0.00 C ATOM 1139 CE1 PHE A 69 150.300 -1.390 -13.863 1.00 0.00 C ATOM 1140 CE2 PHE A 69 151.759 0.146 -12.755 1.00 0.00 C ATOM 1141 CZ PHE A 69 151.315 -0.454 -13.917 1.00 0.00 C ATOM 0 H PHE A 69 148.152 -3.393 -10.963 1.00 0.00 H new ATOM 0 HA PHE A 69 150.840 -3.192 -9.942 1.00 0.00 H new ATOM 0 HB2 PHE A 69 148.472 -1.317 -10.209 1.00 0.00 H new ATOM 0 HB3 PHE A 69 149.939 -0.829 -9.384 1.00 0.00 H new ATOM 0 HD1 PHE A 69 148.938 -2.453 -12.612 1.00 0.00 H new ATOM 0 HD2 PHE A 69 151.538 0.282 -10.637 1.00 0.00 H new ATOM 0 HE1 PHE A 69 149.951 -1.862 -14.770 1.00 0.00 H new ATOM 0 HE2 PHE A 69 152.552 0.878 -12.793 1.00 0.00 H new ATOM 0 HZ PHE A 69 151.760 -0.192 -14.866 1.00 0.00 H new ATOM 1151 N ARG A 70 150.433 -2.574 -7.427 1.00 0.00 N ATOM 1152 CA ARG A 70 150.300 -2.671 -5.987 1.00 0.00 C ATOM 1153 C ARG A 70 151.145 -1.614 -5.286 1.00 0.00 C ATOM 1154 O ARG A 70 152.329 -1.467 -5.578 1.00 0.00 O ATOM 1155 CB ARG A 70 150.703 -4.073 -5.514 1.00 0.00 C ATOM 1156 CG ARG A 70 150.732 -4.234 -4.000 1.00 0.00 C ATOM 1157 CD ARG A 70 151.884 -5.124 -3.558 1.00 0.00 C ATOM 1158 NE ARG A 70 153.167 -4.430 -3.620 1.00 0.00 N ATOM 1159 CZ ARG A 70 154.344 -5.049 -3.668 1.00 0.00 C ATOM 1160 NH1 ARG A 70 154.407 -6.375 -3.653 1.00 0.00 N ATOM 1161 NH2 ARG A 70 155.462 -4.340 -3.729 1.00 0.00 N ATOM 0 H ARG A 70 151.257 -2.061 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 70 149.256 -2.494 -5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 70 150.007 -4.800 -5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 70 151.689 -4.310 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 70 150.826 -3.255 -3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 70 149.789 -4.662 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 70 151.706 -5.467 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 70 151.921 -6.011 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 70 153.161 -3.410 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 70 153.550 -6.926 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 70 155.313 -6.843 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 70 155.420 -3.321 -3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 70 156.365 -4.813 -3.766 1.00 0.00 H new ATOM 1175 N ALA A 71 150.529 -0.895 -4.350 1.00 0.00 N ATOM 1176 CA ALA A 71 151.223 0.142 -3.594 1.00 0.00 C ATOM 1177 C ALA A 71 151.435 -0.313 -2.156 1.00 0.00 C ATOM 1178 O ALA A 71 150.592 -1.021 -1.605 1.00 0.00 O ATOM 1179 CB ALA A 71 150.429 1.441 -3.629 1.00 0.00 C ATOM 0 H ALA A 71 149.548 -1.013 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 71 152.196 0.320 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 71 150.958 2.206 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 71 150.315 1.770 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.445 1.278 -3.189 1.00 0.00 H new ATOM 1185 N ASP A 72 152.551 0.079 -1.541 1.00 0.00 N ATOM 1186 CA ASP A 72 152.811 -0.331 -0.169 1.00 0.00 C ATOM 1187 C ASP A 72 153.133 0.866 0.713 1.00 0.00 C ATOM 1188 O ASP A 72 154.088 1.602 0.459 1.00 0.00 O ATOM 1189 CB ASP A 72 153.956 -1.345 -0.119 1.00 0.00 C ATOM 1190 CG ASP A 72 153.654 -2.515 0.798 1.00 0.00 C ATOM 1191 OD1 ASP A 72 152.926 -3.434 0.369 1.00 0.00 O ATOM 1192 OD2 ASP A 72 154.146 -2.510 1.947 1.00 0.00 O ATOM 0 H ASP A 72 153.271 0.666 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 72 151.905 -0.802 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.152 -1.717 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 72 154.864 -0.847 0.220 1.00 0.00 H new ATOM 1197 N ILE A 73 152.332 1.050 1.755 1.00 0.00 N ATOM 1198 CA ILE A 73 152.529 2.147 2.688 1.00 0.00 C ATOM 1199 C ILE A 73 153.223 1.657 3.950 1.00 0.00 C ATOM 1200 O ILE A 73 153.205 0.467 4.260 1.00 0.00 O ATOM 1201 CB ILE A 73 151.194 2.807 3.081 1.00 0.00 C ATOM 1202 CG1 ILE A 73 150.375 3.139 1.835 1.00 0.00 C ATOM 1203 CG2 ILE A 73 151.444 4.061 3.905 1.00 0.00 C ATOM 1204 CD1 ILE A 73 149.017 3.724 2.150 1.00 0.00 C ATOM 0 H ILE A 73 151.537 0.450 1.974 1.00 0.00 H new ATOM 0 HA ILE A 73 153.151 2.886 2.183 1.00 0.00 H new ATOM 0 HB ILE A 73 150.626 2.103 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 73 150.933 3.845 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 73 150.244 2.233 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 73 150.491 4.515 4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 73 151.990 3.798 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 73 152.031 4.769 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 73 148.488 3.937 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 73 148.442 3.011 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 73 149.141 4.647 2.716 1.00 0.00 H new ATOM 1216 N SER A 74 153.831 2.583 4.673 1.00 0.00 N ATOM 1217 CA SER A 74 154.531 2.253 5.904 1.00 0.00 C ATOM 1218 C SER A 74 154.884 3.525 6.662 1.00 0.00 C ATOM 1219 O SER A 74 155.722 4.306 6.216 1.00 0.00 O ATOM 1220 CB SER A 74 155.803 1.462 5.596 1.00 0.00 C ATOM 1221 OG SER A 74 156.829 2.312 5.109 1.00 0.00 O ATOM 0 H SER A 74 153.854 3.573 4.428 1.00 0.00 H new ATOM 0 HA SER A 74 153.876 1.640 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 74 156.145 0.953 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.585 0.690 4.858 1.00 0.00 H new ATOM 0 HG SER A 74 156.493 3.231 5.053 1.00 0.00 H new ATOM 1227 N GLU A 75 154.239 3.734 7.804 1.00 0.00 N ATOM 1228 CA GLU A 75 154.490 4.924 8.608 1.00 0.00 C ATOM 1229 C GLU A 75 154.850 4.536 10.030 1.00 0.00 C ATOM 1230 O GLU A 75 153.987 4.513 10.901 1.00 0.00 O ATOM 1231 CB GLU A 75 153.258 5.833 8.616 1.00 0.00 C ATOM 1232 CG GLU A 75 152.473 5.816 7.313 1.00 0.00 C ATOM 1233 CD GLU A 75 151.868 7.166 6.978 1.00 0.00 C ATOM 1234 OE1 GLU A 75 151.943 8.080 7.825 1.00 0.00 O ATOM 1235 OE2 GLU A 75 151.315 7.307 5.865 1.00 0.00 O ATOM 0 H GLU A 75 153.542 3.099 8.192 1.00 0.00 H new ATOM 0 HA GLU A 75 155.327 5.465 8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 75 152.600 5.529 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 75 153.574 6.855 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 75 153.131 5.505 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 75 151.678 5.073 7.382 1.00 0.00 H new ATOM 1242 N ASP A 76 156.125 4.225 10.266 1.00 0.00 N ATOM 1243 CA ASP A 76 156.558 3.828 11.589 1.00 0.00 C ATOM 1244 C ASP A 76 157.527 4.828 12.203 1.00 0.00 C ATOM 1245 O ASP A 76 157.807 5.880 11.629 1.00 0.00 O ATOM 1246 CB ASP A 76 157.201 2.439 11.549 1.00 0.00 C ATOM 1247 CG ASP A 76 156.290 1.392 10.937 1.00 0.00 C ATOM 1248 OD1 ASP A 76 155.703 1.668 9.868 1.00 0.00 O ATOM 1249 OD2 ASP A 76 156.163 0.298 11.526 1.00 0.00 O ATOM 0 H ASP A 76 156.862 4.242 9.561 1.00 0.00 H new ATOM 0 HA ASP A 76 155.669 3.800 12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 76 158.128 2.488 10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 76 157.467 2.137 12.562 1.00 0.00 H new ATOM 1254 N TYR A 77 158.037 4.474 13.377 1.00 0.00 N ATOM 1255 CA TYR A 77 158.984 5.311 14.098 1.00 0.00 C ATOM 1256 C TYR A 77 160.071 4.443 14.724 1.00 0.00 C ATOM 1257 O TYR A 77 159.920 3.225 14.815 1.00 0.00 O ATOM 1258 CB TYR A 77 158.263 6.115 15.181 1.00 0.00 C ATOM 1259 CG TYR A 77 159.166 7.058 15.941 1.00 0.00 C ATOM 1260 CD1 TYR A 77 159.492 8.304 15.421 1.00 0.00 C ATOM 1261 CD2 TYR A 77 159.696 6.703 17.175 1.00 0.00 C ATOM 1262 CE1 TYR A 77 160.318 9.170 16.110 1.00 0.00 C ATOM 1263 CE2 TYR A 77 160.523 7.565 17.870 1.00 0.00 C ATOM 1264 CZ TYR A 77 160.832 8.797 17.332 1.00 0.00 C ATOM 1265 OH TYR A 77 161.656 9.657 18.022 1.00 0.00 O ATOM 0 H TYR A 77 157.806 3.602 13.853 1.00 0.00 H new ATOM 0 HA TYR A 77 159.445 6.007 13.397 1.00 0.00 H new ATOM 0 HB2 TYR A 77 157.459 6.689 14.720 1.00 0.00 H new ATOM 0 HB3 TYR A 77 157.799 5.424 15.885 1.00 0.00 H new ATOM 0 HD1 TYR A 77 159.093 8.600 14.462 1.00 0.00 H new ATOM 0 HD2 TYR A 77 159.458 5.738 17.598 1.00 0.00 H new ATOM 0 HE1 TYR A 77 160.560 10.136 15.692 1.00 0.00 H new ATOM 0 HE2 TYR A 77 160.925 7.275 18.830 1.00 0.00 H new ATOM 0 HH TYR A 77 161.930 9.241 18.866 1.00 0.00 H new ATOM 1275 N LYS A 78 161.171 5.068 15.136 1.00 0.00 N ATOM 1276 CA LYS A 78 162.289 4.341 15.735 1.00 0.00 C ATOM 1277 C LYS A 78 163.113 3.687 14.638 1.00 0.00 C ATOM 1278 O LYS A 78 163.109 2.466 14.481 1.00 0.00 O ATOM 1279 CB LYS A 78 161.787 3.286 16.727 1.00 0.00 C ATOM 1280 CG LYS A 78 162.661 3.146 17.962 1.00 0.00 C ATOM 1281 CD LYS A 78 162.386 4.250 18.968 1.00 0.00 C ATOM 1282 CE LYS A 78 163.665 4.729 19.636 1.00 0.00 C ATOM 1283 NZ LYS A 78 163.854 4.118 20.981 1.00 0.00 N ATOM 0 H LYS A 78 161.313 6.076 15.066 1.00 0.00 H new ATOM 0 HA LYS A 78 162.913 5.046 16.284 1.00 0.00 H new ATOM 0 HB2 LYS A 78 160.774 3.544 17.037 1.00 0.00 H new ATOM 0 HB3 LYS A 78 161.730 2.322 16.221 1.00 0.00 H new ATOM 0 HG2 LYS A 78 162.483 2.176 18.427 1.00 0.00 H new ATOM 0 HG3 LYS A 78 163.711 3.172 17.670 1.00 0.00 H new ATOM 0 HD2 LYS A 78 161.901 5.087 18.467 1.00 0.00 H new ATOM 0 HD3 LYS A 78 161.692 3.887 19.727 1.00 0.00 H new ATOM 0 HE2 LYS A 78 164.518 4.484 19.003 1.00 0.00 H new ATOM 0 HE3 LYS A 78 163.640 5.815 19.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 164.737 4.471 21.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 163.053 4.372 21.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 163.904 3.083 20.888 1.00 0.00 H new ATOM 1297 N THR A 79 163.790 4.521 13.857 1.00 0.00 N ATOM 1298 CA THR A 79 164.592 4.044 12.735 1.00 0.00 C ATOM 1299 C THR A 79 163.665 3.664 11.587 1.00 0.00 C ATOM 1300 O THR A 79 163.974 2.789 10.777 1.00 0.00 O ATOM 1301 CB THR A 79 165.454 2.845 13.140 1.00 0.00 C ATOM 1302 OG1 THR A 79 165.970 3.017 14.448 1.00 0.00 O ATOM 1303 CG2 THR A 79 166.625 2.605 12.212 1.00 0.00 C ATOM 0 H THR A 79 163.800 5.533 13.980 1.00 0.00 H new ATOM 0 HA THR A 79 165.264 4.841 12.419 1.00 0.00 H new ATOM 0 HB THR A 79 164.789 1.983 13.087 1.00 0.00 H new ATOM 0 HG1 THR A 79 166.516 2.240 14.689 1.00 0.00 H new ATOM 0 HG21 THR A 79 167.192 1.741 12.558 1.00 0.00 H new ATOM 0 HG22 THR A 79 166.257 2.417 11.203 1.00 0.00 H new ATOM 0 HG23 THR A 79 167.270 3.484 12.205 1.00 0.00 H new ATOM 1311 N ARG A 80 162.516 4.329 11.548 1.00 0.00 N ATOM 1312 CA ARG A 80 161.506 4.097 10.548 1.00 0.00 C ATOM 1313 C ARG A 80 161.323 5.317 9.667 1.00 0.00 C ATOM 1314 O ARG A 80 161.990 6.338 9.838 1.00 0.00 O ATOM 1315 CB ARG A 80 160.185 3.756 11.224 1.00 0.00 C ATOM 1316 CG ARG A 80 160.248 2.505 12.087 1.00 0.00 C ATOM 1317 CD ARG A 80 160.255 1.243 11.240 1.00 0.00 C ATOM 1318 NE ARG A 80 161.609 0.752 11.002 1.00 0.00 N ATOM 1319 CZ ARG A 80 162.356 0.156 11.928 1.00 0.00 C ATOM 1320 NH1 ARG A 80 161.880 -0.034 13.153 1.00 0.00 N ATOM 1321 NH2 ARG A 80 163.581 -0.254 11.629 1.00 0.00 N ATOM 0 H ARG A 80 162.266 5.052 12.223 1.00 0.00 H new ATOM 0 HA ARG A 80 161.828 3.264 9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 80 159.875 4.598 11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 80 159.419 3.622 10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 80 161.145 2.534 12.706 1.00 0.00 H new ATOM 0 HG3 ARG A 80 159.394 2.485 12.764 1.00 0.00 H new ATOM 0 HD2 ARG A 80 159.671 0.469 11.738 1.00 0.00 H new ATOM 0 HD3 ARG A 80 159.769 1.444 10.285 1.00 0.00 H new ATOM 0 HE ARG A 80 162.006 0.873 10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 80 160.938 0.277 13.388 1.00 0.00 H new ATOM 0 HH12 ARG A 80 162.457 -0.491 13.859 1.00 0.00 H new ATOM 0 HH21 ARG A 80 163.951 -0.113 10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 80 164.153 -0.711 12.339 1.00 0.00 H new ATOM 1335 N GLY A 81 160.392 5.201 8.741 1.00 0.00 N ATOM 1336 CA GLY A 81 160.087 6.290 7.847 1.00 0.00 C ATOM 1337 C GLY A 81 158.620 6.635 7.913 1.00 0.00 C ATOM 1338 O GLY A 81 158.033 6.650 8.993 1.00 0.00 O ATOM 0 H GLY A 81 159.835 4.360 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 81 160.684 7.163 8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 81 160.356 6.017 6.827 1.00 0.00 H new ATOM 1342 N ARG A 82 158.018 6.892 6.761 1.00 0.00 N ATOM 1343 CA ARG A 82 156.600 7.215 6.696 1.00 0.00 C ATOM 1344 C ARG A 82 156.233 7.735 5.313 1.00 0.00 C ATOM 1345 O ARG A 82 156.581 8.861 4.956 1.00 0.00 O ATOM 1346 CB ARG A 82 156.224 8.248 7.768 1.00 0.00 C ATOM 1347 CG ARG A 82 154.852 8.875 7.571 1.00 0.00 C ATOM 1348 CD ARG A 82 154.332 9.498 8.856 1.00 0.00 C ATOM 1349 NE ARG A 82 153.473 10.651 8.596 1.00 0.00 N ATOM 1350 CZ ARG A 82 153.187 11.581 9.502 1.00 0.00 C ATOM 1351 NH1 ARG A 82 153.687 11.500 10.730 1.00 0.00 N ATOM 1352 NH2 ARG A 82 152.398 12.598 9.182 1.00 0.00 N ATOM 0 H ARG A 82 158.490 6.883 5.857 1.00 0.00 H new ATOM 0 HA ARG A 82 156.037 6.301 6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 82 156.256 7.769 8.746 1.00 0.00 H new ATOM 0 HB3 ARG A 82 156.975 9.038 7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 82 154.908 9.637 6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 82 154.151 8.116 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 82 153.775 8.751 9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 82 155.174 9.805 9.477 1.00 0.00 H new ATOM 0 HE ARG A 82 153.069 10.748 7.664 1.00 0.00 H new ATOM 0 HH11 ARG A 82 154.295 10.721 10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 82 153.463 12.217 11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 82 152.011 12.667 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 82 152.179 13.312 9.877 1.00 0.00 H new ATOM 1366 N LYS A 83 155.530 6.911 4.538 1.00 0.00 N ATOM 1367 CA LYS A 83 155.124 7.306 3.186 1.00 0.00 C ATOM 1368 C LYS A 83 154.611 6.131 2.360 1.00 0.00 C ATOM 1369 O LYS A 83 154.844 4.967 2.685 1.00 0.00 O ATOM 1370 CB LYS A 83 156.296 7.959 2.444 1.00 0.00 C ATOM 1371 CG LYS A 83 157.640 7.298 2.715 1.00 0.00 C ATOM 1372 CD LYS A 83 158.515 7.273 1.472 1.00 0.00 C ATOM 1373 CE LYS A 83 159.494 8.438 1.454 1.00 0.00 C ATOM 1374 NZ LYS A 83 160.074 8.655 0.100 1.00 0.00 N ATOM 0 H LYS A 83 155.231 5.976 4.816 1.00 0.00 H new ATOM 0 HA LYS A 83 154.307 8.017 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 83 156.097 7.930 1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 83 156.354 9.009 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 83 158.155 7.834 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 83 157.480 6.279 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 83 159.066 6.333 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 83 157.886 7.311 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 83 158.985 9.345 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 83 160.297 8.249 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 160.219 9.673 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 160.986 8.160 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 159.422 8.284 -0.620 1.00 0.00 H new ATOM 1388 N LEU A 84 153.943 6.469 1.257 1.00 0.00 N ATOM 1389 CA LEU A 84 153.418 5.485 0.317 1.00 0.00 C ATOM 1390 C LEU A 84 154.322 5.481 -0.906 1.00 0.00 C ATOM 1391 O LEU A 84 154.862 6.526 -1.271 1.00 0.00 O ATOM 1392 CB LEU A 84 151.982 5.827 -0.086 1.00 0.00 C ATOM 1393 CG LEU A 84 151.083 6.334 1.044 1.00 0.00 C ATOM 1394 CD1 LEU A 84 151.437 7.768 1.412 1.00 0.00 C ATOM 1395 CD2 LEU A 84 149.620 6.233 0.642 1.00 0.00 C ATOM 0 H LEU A 84 153.752 7.435 0.992 1.00 0.00 H new ATOM 0 HA LEU A 84 153.401 4.500 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 84 152.014 6.585 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 84 151.524 4.938 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 84 151.247 5.707 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 84 150.786 8.108 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 84 152.475 7.813 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 84 151.304 8.410 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 84 148.993 6.597 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 84 149.445 6.836 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 84 149.372 5.193 0.430 1.00 0.00 H new ATOM 1407 N LEU A 85 154.538 4.323 -1.523 1.00 0.00 N ATOM 1408 CA LEU A 85 155.443 4.278 -2.667 1.00 0.00 C ATOM 1409 C LEU A 85 155.402 2.954 -3.434 1.00 0.00 C ATOM 1410 O LEU A 85 154.941 2.913 -4.572 1.00 0.00 O ATOM 1411 CB LEU A 85 156.871 4.534 -2.172 1.00 0.00 C ATOM 1412 CG LEU A 85 157.174 3.995 -0.766 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.627 3.569 -0.659 1.00 0.00 C ATOM 1414 CD2 LEU A 85 156.852 5.037 0.297 1.00 0.00 C ATOM 0 H LEU A 85 154.116 3.432 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 85 155.115 5.048 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 85 157.570 4.084 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 85 157.056 5.608 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 85 156.541 3.124 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 85 158.822 3.190 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 85 158.831 2.786 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.273 4.425 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 85 157.075 4.631 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 85 157.455 5.929 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 85 155.795 5.298 0.242 1.00 0.00 H new ATOM 1426 N ARG A 86 155.926 1.894 -2.810 1.00 0.00 N ATOM 1427 CA ARG A 86 156.010 0.557 -3.414 1.00 0.00 C ATOM 1428 C ARG A 86 154.903 0.289 -4.429 1.00 0.00 C ATOM 1429 O ARG A 86 153.933 -0.398 -4.127 1.00 0.00 O ATOM 1430 CB ARG A 86 155.983 -0.511 -2.320 1.00 0.00 C ATOM 1431 CG ARG A 86 157.350 -1.111 -2.023 1.00 0.00 C ATOM 1432 CD ARG A 86 157.279 -2.622 -1.872 1.00 0.00 C ATOM 1433 NE ARG A 86 157.817 -3.069 -0.590 1.00 0.00 N ATOM 1434 CZ ARG A 86 157.930 -4.349 -0.240 1.00 0.00 C ATOM 1435 NH1 ARG A 86 157.545 -5.308 -1.072 1.00 0.00 N ATOM 1436 NH2 ARG A 86 158.430 -4.671 0.946 1.00 0.00 N ATOM 0 H ARG A 86 156.307 1.938 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 86 156.954 0.515 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 86 155.581 -0.074 -1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 86 155.302 -1.308 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 86 158.041 -0.858 -2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 86 157.749 -0.672 -1.109 1.00 0.00 H new ATOM 0 HD2 ARG A 86 156.243 -2.947 -1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 86 157.834 -3.094 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 86 158.124 -2.360 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 86 157.160 -5.067 -1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 86 157.634 -6.287 -0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 86 158.728 -3.938 1.590 1.00 0.00 H new ATOM 0 HH22 ARG A 86 158.516 -5.651 1.214 1.00 0.00 H new ATOM 1450 N PHE A 87 155.073 0.819 -5.639 1.00 0.00 N ATOM 1451 CA PHE A 87 154.096 0.627 -6.705 1.00 0.00 C ATOM 1452 C PHE A 87 154.587 -0.424 -7.694 1.00 0.00 C ATOM 1453 O PHE A 87 155.019 -0.100 -8.801 1.00 0.00 O ATOM 1454 CB PHE A 87 153.825 1.950 -7.428 1.00 0.00 C ATOM 1455 CG PHE A 87 152.367 2.201 -7.691 1.00 0.00 C ATOM 1456 CD1 PHE A 87 151.513 2.544 -6.656 1.00 0.00 C ATOM 1457 CD2 PHE A 87 151.850 2.091 -8.973 1.00 0.00 C ATOM 1458 CE1 PHE A 87 150.171 2.776 -6.893 1.00 0.00 C ATOM 1459 CE2 PHE A 87 150.508 2.321 -9.216 1.00 0.00 C ATOM 1460 CZ PHE A 87 149.668 2.664 -8.175 1.00 0.00 C ATOM 0 H PHE A 87 155.879 1.385 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 87 153.165 0.277 -6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 87 154.225 2.770 -6.831 1.00 0.00 H new ATOM 0 HB3 PHE A 87 154.363 1.954 -8.376 1.00 0.00 H new ATOM 0 HD1 PHE A 87 151.900 2.631 -5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 87 152.502 1.823 -9.791 1.00 0.00 H new ATOM 0 HE1 PHE A 87 149.516 3.044 -6.077 1.00 0.00 H new ATOM 0 HE2 PHE A 87 150.117 2.232 -10.219 1.00 0.00 H new ATOM 0 HZ PHE A 87 148.620 2.844 -8.363 1.00 0.00 H new ATOM 1470 N ASN A 88 154.526 -1.686 -7.285 1.00 0.00 N ATOM 1471 CA ASN A 88 154.970 -2.788 -8.131 1.00 0.00 C ATOM 1472 C ASN A 88 153.936 -3.101 -9.209 1.00 0.00 C ATOM 1473 O ASN A 88 152.763 -3.321 -8.910 1.00 0.00 O ATOM 1474 CB ASN A 88 155.239 -4.034 -7.284 1.00 0.00 C ATOM 1475 CG ASN A 88 156.598 -4.645 -7.569 1.00 0.00 C ATOM 1476 OD1 ASN A 88 157.583 -4.339 -6.899 1.00 0.00 O ATOM 1477 ND2 ASN A 88 156.655 -5.514 -8.573 1.00 0.00 N ATOM 0 H ASN A 88 154.173 -1.972 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 88 155.895 -2.485 -8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 88 155.176 -3.773 -6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 88 154.463 -4.775 -7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 88 157.542 -5.957 -8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 88 155.812 -5.738 -9.102 1.00 0.00 H new ATOM 1484 N GLY A 89 154.381 -3.118 -10.461 1.00 0.00 N ATOM 1485 CA GLY A 89 153.484 -3.406 -11.563 1.00 0.00 C ATOM 1486 C GLY A 89 153.287 -4.895 -11.779 1.00 0.00 C ATOM 1487 O GLY A 89 152.191 -5.414 -11.572 1.00 0.00 O ATOM 0 H GLY A 89 155.348 -2.937 -10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 89 152.518 -2.939 -11.372 1.00 0.00 H new ATOM 0 HA3 GLY A 89 153.879 -2.959 -12.475 1.00 0.00 H new ATOM 1491 N PRO A 90 154.341 -5.617 -12.198 1.00 0.00 N ATOM 1492 CA PRO A 90 154.263 -7.060 -12.439 1.00 0.00 C ATOM 1493 C PRO A 90 154.119 -7.856 -11.146 1.00 0.00 C ATOM 1494 O PRO A 90 154.069 -7.287 -10.055 1.00 0.00 O ATOM 1495 CB PRO A 90 155.596 -7.381 -13.117 1.00 0.00 C ATOM 1496 CG PRO A 90 156.526 -6.319 -12.645 1.00 0.00 C ATOM 1497 CD PRO A 90 155.689 -5.082 -12.470 1.00 0.00 C ATOM 0 HA PRO A 90 153.391 -7.326 -13.037 1.00 0.00 H new ATOM 0 HB2 PRO A 90 155.953 -8.372 -12.838 1.00 0.00 H new ATOM 0 HB3 PRO A 90 155.501 -7.370 -14.203 1.00 0.00 H new ATOM 0 HG2 PRO A 90 157.000 -6.605 -11.706 1.00 0.00 H new ATOM 0 HG3 PRO A 90 157.325 -6.151 -13.367 1.00 0.00 H new ATOM 0 HD2 PRO A 90 156.050 -4.466 -11.647 1.00 0.00 H new ATOM 0 HD3 PRO A 90 155.701 -4.459 -13.364 1.00 0.00 H new ATOM 1505 N VAL A 91 154.052 -9.178 -11.275 1.00 0.00 N ATOM 1506 CA VAL A 91 153.916 -10.053 -10.117 1.00 0.00 C ATOM 1507 C VAL A 91 155.163 -10.009 -9.243 1.00 0.00 C ATOM 1508 O VAL A 91 156.005 -9.112 -9.458 1.00 0.00 O ATOM 1509 CB VAL A 91 153.653 -11.509 -10.545 1.00 0.00 C ATOM 1510 CG1 VAL A 91 152.302 -11.630 -11.237 1.00 0.00 C ATOM 1511 CG2 VAL A 91 154.772 -12.010 -11.447 1.00 0.00 C ATOM 1512 OXT VAL A 91 155.288 -10.874 -8.349 1.00 0.00 O ATOM 0 H VAL A 91 154.090 -9.666 -12.170 1.00 0.00 H new ATOM 0 HA VAL A 91 153.063 -9.689 -9.543 1.00 0.00 H new ATOM 0 HB VAL A 91 153.631 -12.133 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 91 152.136 -12.666 -11.531 1.00 0.00 H new ATOM 0 HG12 VAL A 91 151.513 -11.316 -10.553 1.00 0.00 H new ATOM 0 HG13 VAL A 91 152.289 -10.995 -12.123 1.00 0.00 H new ATOM 0 HG21 VAL A 91 154.570 -13.040 -11.740 1.00 0.00 H new ATOM 0 HG22 VAL A 91 154.829 -11.384 -12.338 1.00 0.00 H new ATOM 0 HG23 VAL A 91 155.720 -11.965 -10.910 1.00 0.00 H new TER 1522 VAL A 91