USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 Single : A 1 GLY N :NH3+ -105:sc= 0.0223 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 5 SER OG : rot 180:sc= 0.174 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.398 K(o=-0.4,f=-3.2!) USER MOD Single : A 14 GLN : amide:sc= 0.683 K(o=0.68,f=-0.44) USER MOD Single : A 17 THR OG1 : rot 71:sc= 1.14 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 44 ASN : amide:sc= 0.371 K(o=0.37,f=-0.15) USER MOD Single : A 45 THR OG1 : rot 179:sc= 0.275 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 47 MET CE :methyl 133:sc=-0.00897 (180deg=-0.382) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= 2.44 (180deg=1.73) USER MOD Single : A 53 THR OG1 : rot -56:sc= 0.763 USER MOD Single : A 55 GLN : amide:sc= 0.793 K(o=0.79,f=-0.017) USER MOD Single : A 56 HIS : no HD1:sc= 1.23 K(o=1.2,f=-7.5!) USER MOD Single : A 57 GLN : amide:sc= 0.33 X(o=0.33,f=0) USER MOD Single : A 59 TYR OH : rot 172:sc= 0.161 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= 0.455 (180deg=0.0882) USER MOD Single : A 77 MET CE :methyl -148:sc= -0.112 (180deg=-1.76!) USER MOD Single : A 79 MET CE :methyl 179:sc= 0 (180deg=-0.00182) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 1.13 (180deg=1.13) USER MOD Single : A 90 ASN : amide:sc= 0.327 K(o=0.33,f=-3.3!) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= 0.855 (180deg=0.0581!) USER MOD Single : A 93 SER OG : rot 120:sc= 0.165 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.176 K(o=0.18,f=-1.5) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.705 K(o=0.7,f=-0.00065) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.999 -17.309 -2.062 1.00 0.00 N ATOM 2 CA GLY A 1 24.688 -16.715 -2.407 1.00 0.00 C ATOM 3 C GLY A 1 24.427 -15.442 -1.612 1.00 0.00 C ATOM 4 O GLY A 1 24.850 -15.326 -0.459 1.00 0.00 O ATOM 0 H1 GLY A 1 26.676 -17.125 -2.830 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.351 -16.884 -1.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.892 -18.335 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.657 -16.492 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.896 -17.438 -2.209 1.00 0.00 H new ATOM 10 N SER A 2 23.728 -14.477 -2.216 1.00 0.00 N ATOM 11 CA SER A 2 23.411 -13.170 -1.610 1.00 0.00 C ATOM 12 C SER A 2 22.392 -13.263 -0.461 1.00 0.00 C ATOM 13 O SER A 2 21.521 -14.137 -0.451 1.00 0.00 O ATOM 14 CB SER A 2 22.893 -12.199 -2.679 1.00 0.00 C ATOM 15 OG SER A 2 23.836 -12.068 -3.734 1.00 0.00 O ATOM 0 H SER A 2 23.356 -14.580 -3.160 1.00 0.00 H new ATOM 0 HA SER A 2 24.342 -12.798 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.943 -12.559 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.703 -11.224 -2.231 1.00 0.00 H new ATOM 0 HG SER A 2 23.489 -11.447 -4.408 1.00 0.00 H new ATOM 21 N SER A 3 22.474 -12.330 0.493 1.00 0.00 N ATOM 22 CA SER A 3 21.629 -12.266 1.703 1.00 0.00 C ATOM 23 C SER A 3 20.332 -11.447 1.549 1.00 0.00 C ATOM 24 O SER A 3 19.545 -11.351 2.496 1.00 0.00 O ATOM 25 CB SER A 3 22.472 -11.738 2.872 1.00 0.00 C ATOM 26 OG SER A 3 23.025 -10.466 2.560 1.00 0.00 O ATOM 0 H SER A 3 23.152 -11.569 0.448 1.00 0.00 H new ATOM 0 HA SER A 3 21.287 -13.283 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.854 -11.662 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.273 -12.443 3.097 1.00 0.00 H new ATOM 0 HG SER A 3 23.557 -10.146 3.318 1.00 0.00 H new ATOM 32 N GLY A 4 20.089 -10.855 0.371 1.00 0.00 N ATOM 33 CA GLY A 4 18.900 -10.045 0.064 1.00 0.00 C ATOM 34 C GLY A 4 17.582 -10.834 -0.027 1.00 0.00 C ATOM 35 O GLY A 4 17.563 -12.068 -0.002 1.00 0.00 O ATOM 0 H GLY A 4 20.732 -10.928 -0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.794 -9.277 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.064 -9.530 -0.883 1.00 0.00 H new ATOM 39 N SER A 5 16.467 -10.104 -0.142 1.00 0.00 N ATOM 40 CA SER A 5 15.096 -10.639 -0.192 1.00 0.00 C ATOM 41 C SER A 5 14.184 -9.822 -1.121 1.00 0.00 C ATOM 42 O SER A 5 14.397 -8.623 -1.324 1.00 0.00 O ATOM 43 CB SER A 5 14.514 -10.661 1.229 1.00 0.00 C ATOM 44 OG SER A 5 13.190 -11.173 1.234 1.00 0.00 O ATOM 0 H SER A 5 16.492 -9.086 -0.205 1.00 0.00 H new ATOM 0 HA SER A 5 15.143 -11.649 -0.599 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.145 -11.272 1.874 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.518 -9.652 1.642 1.00 0.00 H new ATOM 0 HG SER A 5 12.844 -11.177 2.151 1.00 0.00 H new ATOM 50 N SER A 6 13.140 -10.464 -1.657 1.00 0.00 N ATOM 51 CA SER A 6 12.059 -9.827 -2.434 1.00 0.00 C ATOM 52 C SER A 6 10.979 -9.165 -1.555 1.00 0.00 C ATOM 53 O SER A 6 10.064 -8.529 -2.082 1.00 0.00 O ATOM 54 CB SER A 6 11.407 -10.846 -3.379 1.00 0.00 C ATOM 55 OG SER A 6 12.375 -11.499 -4.191 1.00 0.00 O ATOM 0 H SER A 6 13.016 -11.472 -1.562 1.00 0.00 H new ATOM 0 HA SER A 6 12.529 -9.030 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.861 -11.587 -2.795 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.679 -10.341 -4.014 1.00 0.00 H new ATOM 0 HG SER A 6 11.928 -12.142 -4.780 1.00 0.00 H new ATOM 61 N GLY A 7 11.062 -9.304 -0.226 1.00 0.00 N ATOM 62 CA GLY A 7 10.231 -8.572 0.740 1.00 0.00 C ATOM 63 C GLY A 7 10.661 -7.103 0.940 1.00 0.00 C ATOM 64 O GLY A 7 11.626 -6.644 0.315 1.00 0.00 O ATOM 0 H GLY A 7 11.723 -9.942 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.194 -8.595 0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.268 -9.086 1.700 1.00 0.00 H new ATOM 68 N PRO A 8 9.973 -6.347 1.819 1.00 0.00 N ATOM 69 CA PRO A 8 10.343 -4.973 2.154 1.00 0.00 C ATOM 70 C PRO A 8 11.649 -4.927 2.972 1.00 0.00 C ATOM 71 O PRO A 8 11.903 -5.788 3.820 1.00 0.00 O ATOM 72 CB PRO A 8 9.142 -4.411 2.922 1.00 0.00 C ATOM 73 CG PRO A 8 8.555 -5.645 3.609 1.00 0.00 C ATOM 74 CD PRO A 8 8.823 -6.771 2.607 1.00 0.00 C ATOM 0 HA PRO A 8 10.552 -4.373 1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.445 -3.654 3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.421 -3.942 2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.036 -5.838 4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.489 -5.527 3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.028 -7.710 3.122 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.955 -6.940 1.970 1.00 0.00 H new ATOM 82 N ILE A 9 12.483 -3.910 2.729 1.00 0.00 N ATOM 83 CA ILE A 9 13.792 -3.740 3.385 1.00 0.00 C ATOM 84 C ILE A 9 13.659 -3.116 4.784 1.00 0.00 C ATOM 85 O ILE A 9 12.774 -2.294 5.031 1.00 0.00 O ATOM 86 CB ILE A 9 14.766 -2.973 2.454 1.00 0.00 C ATOM 87 CG1 ILE A 9 16.238 -2.964 2.924 1.00 0.00 C ATOM 88 CG2 ILE A 9 14.321 -1.518 2.222 1.00 0.00 C ATOM 89 CD1 ILE A 9 16.860 -4.359 3.068 1.00 0.00 C ATOM 0 H ILE A 9 12.268 -3.169 2.062 1.00 0.00 H new ATOM 0 HA ILE A 9 14.226 -4.725 3.555 1.00 0.00 H new ATOM 0 HB ILE A 9 14.722 -3.537 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.831 -2.386 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.298 -2.451 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.033 -1.020 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.333 -1.509 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.281 -0.993 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.893 -4.264 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.294 -4.936 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.835 -4.870 2.105 1.00 0.00 H new ATOM 101 N SER A 10 14.554 -3.478 5.705 1.00 0.00 N ATOM 102 CA SER A 10 14.563 -2.999 7.102 1.00 0.00 C ATOM 103 C SER A 10 14.866 -1.498 7.256 1.00 0.00 C ATOM 104 O SER A 10 14.655 -0.929 8.327 1.00 0.00 O ATOM 105 CB SER A 10 15.587 -3.800 7.917 1.00 0.00 C ATOM 106 OG SER A 10 15.361 -5.196 7.777 1.00 0.00 O ATOM 0 H SER A 10 15.314 -4.128 5.502 1.00 0.00 H new ATOM 0 HA SER A 10 13.550 -3.151 7.474 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.596 -3.555 7.584 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.521 -3.520 8.968 1.00 0.00 H new ATOM 0 HG SER A 10 16.025 -5.689 8.303 1.00 0.00 H new ATOM 112 N GLU A 11 15.343 -0.837 6.193 1.00 0.00 N ATOM 113 CA GLU A 11 15.609 0.612 6.159 1.00 0.00 C ATOM 114 C GLU A 11 14.339 1.464 5.943 1.00 0.00 C ATOM 115 O GLU A 11 14.372 2.683 6.139 1.00 0.00 O ATOM 116 CB GLU A 11 16.655 0.918 5.072 1.00 0.00 C ATOM 117 CG GLU A 11 18.012 0.258 5.353 1.00 0.00 C ATOM 118 CD GLU A 11 19.069 0.712 4.329 1.00 0.00 C ATOM 119 OE1 GLU A 11 19.194 0.079 3.253 1.00 0.00 O ATOM 120 OE2 GLU A 11 19.793 1.704 4.596 1.00 0.00 O ATOM 0 H GLU A 11 15.560 -1.303 5.312 1.00 0.00 H new ATOM 0 HA GLU A 11 15.994 0.890 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.281 0.575 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.789 1.997 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.343 0.513 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.908 -0.826 5.317 1.00 0.00 H new ATOM 127 N ARG A 12 13.216 0.840 5.553 1.00 0.00 N ATOM 128 CA ARG A 12 11.903 1.485 5.361 1.00 0.00 C ATOM 129 C ARG A 12 11.071 1.455 6.644 1.00 0.00 C ATOM 130 O ARG A 12 11.230 0.551 7.469 1.00 0.00 O ATOM 131 CB ARG A 12 11.165 0.812 4.185 1.00 0.00 C ATOM 132 CG ARG A 12 11.844 1.084 2.830 1.00 0.00 C ATOM 133 CD ARG A 12 11.533 2.498 2.333 1.00 0.00 C ATOM 134 NE ARG A 12 12.475 2.954 1.294 1.00 0.00 N ATOM 135 CZ ARG A 12 12.671 4.214 0.945 1.00 0.00 C ATOM 136 NH1 ARG A 12 11.925 5.184 1.396 1.00 0.00 N ATOM 137 NH2 ARG A 12 13.633 4.529 0.126 1.00 0.00 N ATOM 0 H ARG A 12 13.194 -0.160 5.356 1.00 0.00 H new ATOM 0 HA ARG A 12 12.059 2.536 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.120 -0.264 4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.137 1.172 4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.922 0.958 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.504 0.354 2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.519 2.524 1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.563 3.190 3.175 1.00 0.00 H new ATOM 0 HE ARG A 12 13.018 2.241 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.160 4.982 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.106 6.145 1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.241 3.802 -0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.779 5.503 -0.139 1.00 0.00 H new ATOM 151 N ASN A 13 10.156 2.412 6.814 1.00 0.00 N ATOM 152 CA ASN A 13 9.233 2.430 7.953 1.00 0.00 C ATOM 153 C ASN A 13 8.057 1.480 7.676 1.00 0.00 C ATOM 154 O ASN A 13 7.003 1.895 7.194 1.00 0.00 O ATOM 155 CB ASN A 13 8.809 3.879 8.262 1.00 0.00 C ATOM 156 CG ASN A 13 7.946 3.987 9.515 1.00 0.00 C ATOM 157 OD1 ASN A 13 7.467 3.012 10.079 1.00 0.00 O ATOM 158 ND2 ASN A 13 7.720 5.186 9.998 1.00 0.00 N ATOM 0 H ASN A 13 10.034 3.193 6.170 1.00 0.00 H new ATOM 0 HA ASN A 13 9.722 2.061 8.854 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.700 4.495 8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.259 4.281 7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.150 5.299 10.836 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.115 6.005 9.535 1.00 0.00 H new ATOM 165 N GLN A 14 8.241 0.188 7.962 1.00 0.00 N ATOM 166 CA GLN A 14 7.283 -0.864 7.593 1.00 0.00 C ATOM 167 C GLN A 14 5.934 -0.764 8.328 1.00 0.00 C ATOM 168 O GLN A 14 4.950 -1.332 7.859 1.00 0.00 O ATOM 169 CB GLN A 14 7.919 -2.251 7.782 1.00 0.00 C ATOM 170 CG GLN A 14 9.148 -2.454 6.876 1.00 0.00 C ATOM 171 CD GLN A 14 9.724 -3.870 6.918 1.00 0.00 C ATOM 172 OE1 GLN A 14 9.171 -4.806 7.480 1.00 0.00 O ATOM 173 NE2 GLN A 14 10.865 -4.081 6.302 1.00 0.00 N ATOM 0 H GLN A 14 9.061 -0.161 8.458 1.00 0.00 H new ATOM 0 HA GLN A 14 7.049 -0.714 6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.213 -2.375 8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.179 -3.021 7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.873 -2.215 5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.924 -1.748 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.339 -3.312 5.829 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.277 -5.014 6.297 1.00 0.00 H new ATOM 182 N ASP A 15 5.844 -0.014 9.434 1.00 0.00 N ATOM 183 CA ASP A 15 4.571 0.237 10.124 1.00 0.00 C ATOM 184 C ASP A 15 3.794 1.433 9.536 1.00 0.00 C ATOM 185 O ASP A 15 2.566 1.465 9.605 1.00 0.00 O ATOM 186 CB ASP A 15 4.804 0.375 11.637 1.00 0.00 C ATOM 187 CG ASP A 15 3.655 -0.289 12.403 1.00 0.00 C ATOM 188 OD1 ASP A 15 2.749 0.410 12.910 1.00 0.00 O ATOM 189 OD2 ASP A 15 3.602 -1.540 12.427 1.00 0.00 O ATOM 0 H ASP A 15 6.647 0.434 9.874 1.00 0.00 H new ATOM 0 HA ASP A 15 3.930 -0.629 9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.752 -0.088 11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.873 1.428 11.909 1.00 0.00 H new ATOM 194 N ALA A 16 4.491 2.383 8.899 1.00 0.00 N ATOM 195 CA ALA A 16 3.898 3.456 8.089 1.00 0.00 C ATOM 196 C ALA A 16 3.837 3.104 6.585 1.00 0.00 C ATOM 197 O ALA A 16 3.383 3.907 5.770 1.00 0.00 O ATOM 198 CB ALA A 16 4.647 4.766 8.354 1.00 0.00 C ATOM 0 H ALA A 16 5.509 2.428 8.933 1.00 0.00 H new ATOM 0 HA ALA A 16 2.859 3.581 8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.209 5.564 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.569 5.022 9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.697 4.646 8.086 1.00 0.00 H new ATOM 204 N THR A 17 4.270 1.900 6.205 1.00 0.00 N ATOM 205 CA THR A 17 4.137 1.346 4.852 1.00 0.00 C ATOM 206 C THR A 17 2.984 0.348 4.825 1.00 0.00 C ATOM 207 O THR A 17 2.842 -0.473 5.732 1.00 0.00 O ATOM 208 CB THR A 17 5.455 0.716 4.362 1.00 0.00 C ATOM 209 OG1 THR A 17 6.508 1.645 4.470 1.00 0.00 O ATOM 210 CG2 THR A 17 5.447 0.286 2.893 1.00 0.00 C ATOM 0 H THR A 17 4.738 1.262 6.849 1.00 0.00 H new ATOM 0 HA THR A 17 3.912 2.157 4.159 1.00 0.00 H new ATOM 0 HB THR A 17 5.581 -0.164 4.993 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.730 1.779 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.414 -0.146 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.664 -0.456 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.257 1.154 2.261 1.00 0.00 H new ATOM 218 N VAL A 18 2.159 0.397 3.781 1.00 0.00 N ATOM 219 CA VAL A 18 1.110 -0.598 3.516 1.00 0.00 C ATOM 220 C VAL A 18 1.563 -1.571 2.432 1.00 0.00 C ATOM 221 O VAL A 18 2.301 -1.193 1.524 1.00 0.00 O ATOM 222 CB VAL A 18 -0.254 0.039 3.178 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.676 1.023 4.271 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.282 0.796 1.849 1.00 0.00 C ATOM 0 H VAL A 18 2.197 1.139 3.082 1.00 0.00 H new ATOM 0 HA VAL A 18 0.954 -1.155 4.440 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.940 -0.805 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.640 1.461 4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.759 0.497 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.070 1.813 4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.276 1.212 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.450 1.604 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.039 0.112 1.036 1.00 0.00 H new ATOM 234 N TYR A 19 1.106 -2.814 2.523 1.00 0.00 N ATOM 235 CA TYR A 19 1.216 -3.847 1.496 1.00 0.00 C ATOM 236 C TYR A 19 -0.073 -3.861 0.668 1.00 0.00 C ATOM 237 O TYR A 19 -1.167 -3.723 1.222 1.00 0.00 O ATOM 238 CB TYR A 19 1.450 -5.206 2.176 1.00 0.00 C ATOM 239 CG TYR A 19 1.198 -6.414 1.288 1.00 0.00 C ATOM 240 CD1 TYR A 19 2.221 -6.922 0.464 1.00 0.00 C ATOM 241 CD2 TYR A 19 -0.076 -7.020 1.275 1.00 0.00 C ATOM 242 CE1 TYR A 19 1.983 -8.045 -0.351 1.00 0.00 C ATOM 243 CE2 TYR A 19 -0.324 -8.131 0.445 1.00 0.00 C ATOM 244 CZ TYR A 19 0.706 -8.651 -0.367 1.00 0.00 C ATOM 245 OH TYR A 19 0.464 -9.734 -1.155 1.00 0.00 O ATOM 0 H TYR A 19 0.624 -3.147 3.358 1.00 0.00 H new ATOM 0 HA TYR A 19 2.056 -3.643 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.478 -5.245 2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.804 -5.275 3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.192 -6.448 0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.864 -6.631 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.777 -8.444 -0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.304 -8.585 0.430 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.466 -10.021 -1.040 1.00 0.00 H new ATOM 255 N VAL A 20 0.052 -4.061 -0.645 1.00 0.00 N ATOM 256 CA VAL A 20 -1.057 -4.199 -1.596 1.00 0.00 C ATOM 257 C VAL A 20 -0.840 -5.463 -2.429 1.00 0.00 C ATOM 258 O VAL A 20 0.125 -5.545 -3.188 1.00 0.00 O ATOM 259 CB VAL A 20 -1.177 -2.967 -2.519 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.472 -3.061 -3.338 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.184 -1.636 -1.753 1.00 0.00 C ATOM 0 H VAL A 20 0.964 -4.135 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.988 -4.273 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.297 -2.976 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.555 -2.191 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.454 -3.967 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.328 -3.092 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.270 -0.810 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.030 -1.616 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.256 -1.536 -1.189 1.00 0.00 H new ATOM 271 N GLY A 21 -1.733 -6.445 -2.306 1.00 0.00 N ATOM 272 CA GLY A 21 -1.687 -7.710 -3.048 1.00 0.00 C ATOM 273 C GLY A 21 -2.847 -7.861 -4.035 1.00 0.00 C ATOM 274 O GLY A 21 -3.962 -7.422 -3.753 1.00 0.00 O ATOM 0 H GLY A 21 -2.530 -6.384 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.744 -7.774 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.706 -8.541 -2.343 1.00 0.00 H new ATOM 278 N GLY A 22 -2.595 -8.504 -5.178 1.00 0.00 N ATOM 279 CA GLY A 22 -3.607 -8.803 -6.205 1.00 0.00 C ATOM 280 C GLY A 22 -3.676 -7.759 -7.326 1.00 0.00 C ATOM 281 O GLY A 22 -4.754 -7.479 -7.851 1.00 0.00 O ATOM 0 H GLY A 22 -1.664 -8.840 -5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.391 -9.778 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.585 -8.876 -5.728 1.00 0.00 H new ATOM 285 N LEU A 23 -2.535 -7.159 -7.677 1.00 0.00 N ATOM 286 CA LEU A 23 -2.413 -6.065 -8.636 1.00 0.00 C ATOM 287 C LEU A 23 -2.630 -6.553 -10.071 1.00 0.00 C ATOM 288 O LEU A 23 -2.337 -7.704 -10.404 1.00 0.00 O ATOM 289 CB LEU A 23 -1.023 -5.415 -8.501 1.00 0.00 C ATOM 290 CG LEU A 23 -0.709 -4.797 -7.128 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.683 -4.176 -7.171 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.718 -3.721 -6.737 1.00 0.00 C ATOM 0 H LEU A 23 -1.636 -7.436 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.185 -5.328 -8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.267 -6.168 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.930 -4.638 -9.259 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.762 -5.592 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.915 -3.735 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.418 -4.946 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.713 -3.402 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.456 -3.314 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.704 -2.923 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.716 -4.157 -6.692 1.00 0.00 H new ATOM 304 N ASP A 24 -3.109 -5.661 -10.932 1.00 0.00 N ATOM 305 CA ASP A 24 -3.265 -5.921 -12.362 1.00 0.00 C ATOM 306 C ASP A 24 -2.018 -5.497 -13.165 1.00 0.00 C ATOM 307 O ASP A 24 -1.252 -4.634 -12.733 1.00 0.00 O ATOM 308 CB ASP A 24 -4.544 -5.225 -12.853 1.00 0.00 C ATOM 309 CG ASP A 24 -4.813 -5.515 -14.334 1.00 0.00 C ATOM 310 OD1 ASP A 24 -4.430 -4.674 -15.178 1.00 0.00 O ATOM 311 OD2 ASP A 24 -5.344 -6.606 -14.646 1.00 0.00 O ATOM 0 H ASP A 24 -3.404 -4.725 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.363 -6.994 -12.526 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.393 -5.560 -12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.454 -4.149 -12.703 1.00 0.00 H new ATOM 316 N GLU A 25 -1.803 -6.063 -14.357 1.00 0.00 N ATOM 317 CA GLU A 25 -0.660 -5.731 -15.229 1.00 0.00 C ATOM 318 C GLU A 25 -0.574 -4.241 -15.633 1.00 0.00 C ATOM 319 O GLU A 25 0.512 -3.762 -15.972 1.00 0.00 O ATOM 320 CB GLU A 25 -0.663 -6.645 -16.467 1.00 0.00 C ATOM 321 CG GLU A 25 -1.837 -6.407 -17.429 1.00 0.00 C ATOM 322 CD GLU A 25 -1.776 -7.382 -18.621 1.00 0.00 C ATOM 323 OE1 GLU A 25 -2.317 -8.510 -18.521 1.00 0.00 O ATOM 324 OE2 GLU A 25 -1.187 -7.027 -19.672 1.00 0.00 O ATOM 0 H GLU A 25 -2.421 -6.772 -14.752 1.00 0.00 H new ATOM 0 HA GLU A 25 0.238 -5.911 -14.638 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.271 -6.503 -17.011 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.685 -7.684 -16.137 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.780 -6.535 -16.897 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.812 -5.380 -17.792 1.00 0.00 H new ATOM 331 N LYS A 26 -1.683 -3.488 -15.557 1.00 0.00 N ATOM 332 CA LYS A 26 -1.730 -2.033 -15.796 1.00 0.00 C ATOM 333 C LYS A 26 -1.179 -1.184 -14.636 1.00 0.00 C ATOM 334 O LYS A 26 -0.912 0.004 -14.829 1.00 0.00 O ATOM 335 CB LYS A 26 -3.171 -1.634 -16.128 1.00 0.00 C ATOM 336 CG LYS A 26 -3.575 -2.147 -17.519 1.00 0.00 C ATOM 337 CD LYS A 26 -5.077 -1.996 -17.767 1.00 0.00 C ATOM 338 CE LYS A 26 -5.613 -0.563 -17.637 1.00 0.00 C ATOM 339 NZ LYS A 26 -5.105 0.335 -18.709 1.00 0.00 N ATOM 0 H LYS A 26 -2.594 -3.881 -15.322 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.068 -1.824 -16.636 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.847 -2.040 -15.376 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.269 -0.549 -16.093 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.024 -1.598 -18.283 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.295 -3.196 -17.615 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.304 -2.364 -18.768 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.612 -2.634 -17.064 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.702 -0.582 -17.669 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.330 -0.159 -16.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.496 1.290 -18.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.067 0.377 -18.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.397 -0.033 -19.637 1.00 0.00 H new ATOM 353 N VAL A 27 -1.013 -1.757 -13.439 1.00 0.00 N ATOM 354 CA VAL A 27 -0.552 -1.048 -12.227 1.00 0.00 C ATOM 355 C VAL A 27 0.946 -0.717 -12.293 1.00 0.00 C ATOM 356 O VAL A 27 1.752 -1.531 -12.749 1.00 0.00 O ATOM 357 CB VAL A 27 -0.889 -1.854 -10.954 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.386 -1.174 -9.676 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.407 -2.046 -10.812 1.00 0.00 C ATOM 0 H VAL A 27 -1.198 -2.747 -13.276 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.089 -0.100 -12.181 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.385 -2.814 -11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.650 -1.783 -8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.697 -1.063 -9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.847 -0.191 -9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.619 -2.617 -9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.893 -1.072 -10.748 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.788 -2.586 -11.679 1.00 0.00 H new ATOM 369 N SER A 28 1.324 0.466 -11.797 1.00 0.00 N ATOM 370 CA SER A 28 2.715 0.932 -11.674 1.00 0.00 C ATOM 371 C SER A 28 2.985 1.617 -10.325 1.00 0.00 C ATOM 372 O SER A 28 2.058 2.041 -9.635 1.00 0.00 O ATOM 373 CB SER A 28 3.032 1.884 -12.835 1.00 0.00 C ATOM 374 OG SER A 28 2.270 3.079 -12.728 1.00 0.00 O ATOM 0 H SER A 28 0.649 1.151 -11.458 1.00 0.00 H new ATOM 0 HA SER A 28 3.369 0.061 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.095 2.124 -12.835 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.816 1.393 -13.784 1.00 0.00 H new ATOM 0 HG SER A 28 2.487 3.674 -13.476 1.00 0.00 H new ATOM 380 N GLU A 29 4.253 1.770 -9.935 1.00 0.00 N ATOM 381 CA GLU A 29 4.618 2.461 -8.685 1.00 0.00 C ATOM 382 C GLU A 29 4.136 3.929 -8.626 1.00 0.00 C ATOM 383 O GLU A 29 3.627 4.326 -7.574 1.00 0.00 O ATOM 384 CB GLU A 29 6.143 2.383 -8.468 1.00 0.00 C ATOM 385 CG GLU A 29 6.557 1.139 -7.672 1.00 0.00 C ATOM 386 CD GLU A 29 7.869 0.512 -8.185 1.00 0.00 C ATOM 387 OE1 GLU A 29 8.790 0.264 -7.372 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.966 0.191 -9.395 1.00 0.00 O ATOM 0 H GLU A 29 5.052 1.424 -10.467 1.00 0.00 H new ATOM 0 HA GLU A 29 4.100 1.942 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.645 2.376 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.479 3.276 -7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.674 1.407 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.760 0.397 -7.725 1.00 0.00 H new ATOM 395 N PRO A 30 4.203 4.734 -9.710 1.00 0.00 N ATOM 396 CA PRO A 30 3.581 6.058 -9.745 1.00 0.00 C ATOM 397 C PRO A 30 2.054 6.031 -9.582 1.00 0.00 C ATOM 398 O PRO A 30 1.494 6.961 -8.997 1.00 0.00 O ATOM 399 CB PRO A 30 3.979 6.670 -11.093 1.00 0.00 C ATOM 400 CG PRO A 30 5.297 5.973 -11.416 1.00 0.00 C ATOM 401 CD PRO A 30 5.050 4.564 -10.884 1.00 0.00 C ATOM 0 HA PRO A 30 3.931 6.649 -8.899 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.226 6.482 -11.858 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.101 7.751 -11.024 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.508 5.974 -12.485 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.143 6.452 -10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.561 3.942 -11.634 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.988 4.073 -10.624 1.00 0.00 H new ATOM 409 N LEU A 31 1.370 4.967 -10.030 1.00 0.00 N ATOM 410 CA LEU A 31 -0.068 4.808 -9.795 1.00 0.00 C ATOM 411 C LEU A 31 -0.328 4.561 -8.311 1.00 0.00 C ATOM 412 O LEU A 31 -1.131 5.267 -7.707 1.00 0.00 O ATOM 413 CB LEU A 31 -0.635 3.659 -10.645 1.00 0.00 C ATOM 414 CG LEU A 31 -2.155 3.472 -10.483 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.921 4.581 -11.193 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.548 2.133 -11.091 1.00 0.00 C ATOM 0 H LEU A 31 1.793 4.204 -10.558 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.575 5.726 -10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.409 3.848 -11.695 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.131 2.732 -10.372 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.402 3.505 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.992 4.425 -11.063 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.641 5.545 -10.769 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.679 4.568 -12.256 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.623 1.986 -10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.284 2.122 -12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.019 1.331 -10.577 1.00 0.00 H new ATOM 428 N LEU A 32 0.381 3.603 -7.707 1.00 0.00 N ATOM 429 CA LEU A 32 0.243 3.301 -6.280 1.00 0.00 C ATOM 430 C LEU A 32 0.598 4.487 -5.380 1.00 0.00 C ATOM 431 O LEU A 32 0.139 4.552 -4.248 1.00 0.00 O ATOM 432 CB LEU A 32 1.127 2.109 -5.886 1.00 0.00 C ATOM 433 CG LEU A 32 0.823 0.785 -6.586 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.543 -0.333 -5.843 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.667 0.461 -6.578 1.00 0.00 C ATOM 0 H LEU A 32 1.063 3.018 -8.190 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.810 3.062 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.166 2.372 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.038 1.957 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 32 1.155 0.872 -7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.336 -1.286 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.617 -0.145 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.192 -0.369 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.836 -0.488 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.018 0.389 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.214 1.251 -7.093 1.00 0.00 H new ATOM 447 N TRP A 33 1.385 5.434 -5.878 1.00 0.00 N ATOM 448 CA TRP A 33 1.638 6.699 -5.198 1.00 0.00 C ATOM 449 C TRP A 33 0.422 7.624 -5.297 1.00 0.00 C ATOM 450 O TRP A 33 -0.243 7.898 -4.299 1.00 0.00 O ATOM 451 CB TRP A 33 2.912 7.324 -5.775 1.00 0.00 C ATOM 452 CG TRP A 33 3.572 8.400 -4.973 1.00 0.00 C ATOM 453 CD1 TRP A 33 2.986 9.443 -4.338 1.00 0.00 C ATOM 454 CD2 TRP A 33 5.001 8.550 -4.747 1.00 0.00 C ATOM 455 NE1 TRP A 33 3.959 10.213 -3.725 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.224 9.717 -3.963 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.128 7.806 -5.150 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.513 10.135 -3.602 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.428 8.219 -4.801 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.621 9.383 -4.033 1.00 0.00 C ATOM 0 H TRP A 33 1.869 5.345 -6.771 1.00 0.00 H new ATOM 0 HA TRP A 33 1.798 6.529 -4.133 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.638 6.526 -5.931 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.672 7.734 -6.756 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.925 9.643 -4.314 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.765 11.044 -3.167 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.993 6.908 -5.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.653 11.022 -3.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.281 7.640 -5.124 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.621 9.699 -3.774 1.00 0.00 H new ATOM 471 N GLU A 34 0.101 8.089 -6.507 1.00 0.00 N ATOM 472 CA GLU A 34 -0.932 9.111 -6.738 1.00 0.00 C ATOM 473 C GLU A 34 -2.356 8.661 -6.376 1.00 0.00 C ATOM 474 O GLU A 34 -3.170 9.481 -5.950 1.00 0.00 O ATOM 475 CB GLU A 34 -0.889 9.577 -8.201 1.00 0.00 C ATOM 476 CG GLU A 34 0.415 10.318 -8.511 1.00 0.00 C ATOM 477 CD GLU A 34 0.339 11.035 -9.874 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.666 10.418 -10.917 1.00 0.00 O ATOM 479 OE2 GLU A 34 -0.045 12.230 -9.913 1.00 0.00 O ATOM 0 H GLU A 34 0.552 7.766 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.695 9.934 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.986 8.716 -8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.738 10.231 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.618 11.046 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.245 9.612 -8.514 1.00 0.00 H new ATOM 486 N LEU A 35 -2.655 7.364 -6.486 1.00 0.00 N ATOM 487 CA LEU A 35 -3.944 6.789 -6.085 1.00 0.00 C ATOM 488 C LEU A 35 -4.122 6.792 -4.553 1.00 0.00 C ATOM 489 O LEU A 35 -5.231 6.967 -4.056 1.00 0.00 O ATOM 490 CB LEU A 35 -4.047 5.355 -6.642 1.00 0.00 C ATOM 491 CG LEU A 35 -5.482 4.820 -6.731 1.00 0.00 C ATOM 492 CD1 LEU A 35 -6.212 5.352 -7.964 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.471 3.293 -6.778 1.00 0.00 C ATOM 0 H LEU A 35 -2.002 6.675 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.744 7.405 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.599 5.329 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.460 4.688 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.012 5.165 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.225 4.949 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.255 6.440 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.677 5.047 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.495 2.924 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.910 2.960 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.000 2.905 -5.875 1.00 0.00 H new ATOM 505 N PHE A 36 -3.033 6.623 -3.797 1.00 0.00 N ATOM 506 CA PHE A 36 -3.036 6.497 -2.333 1.00 0.00 C ATOM 507 C PHE A 36 -2.898 7.843 -1.604 1.00 0.00 C ATOM 508 O PHE A 36 -3.188 7.916 -0.409 1.00 0.00 O ATOM 509 CB PHE A 36 -1.962 5.486 -1.922 1.00 0.00 C ATOM 510 CG PHE A 36 -2.385 4.025 -2.036 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.566 3.419 -3.294 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.598 3.259 -0.872 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.966 2.073 -3.391 1.00 0.00 C ATOM 514 CE2 PHE A 36 -3.011 1.916 -0.965 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.205 1.326 -2.226 1.00 0.00 C ATOM 0 H PHE A 36 -2.096 6.568 -4.197 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.012 6.126 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.078 5.644 -2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.669 5.686 -0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.396 3.993 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.443 3.706 0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.089 1.615 -4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.179 1.339 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.537 0.301 -2.299 1.00 0.00 H new ATOM 525 N LEU A 37 -2.570 8.930 -2.318 1.00 0.00 N ATOM 526 CA LEU A 37 -2.624 10.311 -1.806 1.00 0.00 C ATOM 527 C LEU A 37 -4.005 10.715 -1.238 1.00 0.00 C ATOM 528 O LEU A 37 -4.109 11.664 -0.461 1.00 0.00 O ATOM 529 CB LEU A 37 -2.211 11.278 -2.932 1.00 0.00 C ATOM 530 CG LEU A 37 -0.717 11.289 -3.292 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.463 12.298 -4.411 1.00 0.00 C ATOM 532 CD2 LEU A 37 0.158 11.679 -2.102 1.00 0.00 C ATOM 0 H LEU A 37 -2.254 8.875 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.930 10.368 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.779 11.026 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.503 12.288 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.457 10.278 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.597 12.303 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.044 12.020 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.761 13.292 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.206 11.673 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.116 12.677 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.010 10.965 -1.292 1.00 0.00 H new ATOM 544 N GLN A 38 -5.055 9.970 -1.592 1.00 0.00 N ATOM 545 CA GLN A 38 -6.419 10.093 -1.052 1.00 0.00 C ATOM 546 C GLN A 38 -6.490 9.779 0.453 1.00 0.00 C ATOM 547 O GLN A 38 -7.281 10.388 1.176 1.00 0.00 O ATOM 548 CB GLN A 38 -7.358 9.123 -1.793 1.00 0.00 C ATOM 549 CG GLN A 38 -7.346 9.335 -3.312 1.00 0.00 C ATOM 550 CD GLN A 38 -8.256 8.373 -4.082 1.00 0.00 C ATOM 551 OE1 GLN A 38 -8.982 7.551 -3.535 1.00 0.00 O ATOM 552 NE2 GLN A 38 -8.271 8.452 -5.396 1.00 0.00 N ATOM 0 H GLN A 38 -4.979 9.232 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.725 11.129 -1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.064 8.097 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.374 9.251 -1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.651 10.359 -3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.325 9.223 -3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.675 9.129 -5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.878 7.837 -5.937 1.00 0.00 H new ATOM 561 N ALA A 39 -5.667 8.835 0.923 1.00 0.00 N ATOM 562 CA ALA A 39 -5.595 8.450 2.335 1.00 0.00 C ATOM 563 C ALA A 39 -4.754 9.429 3.173 1.00 0.00 C ATOM 564 O ALA A 39 -5.165 9.839 4.260 1.00 0.00 O ATOM 565 CB ALA A 39 -5.020 7.036 2.421 1.00 0.00 C ATOM 0 H ALA A 39 -5.026 8.312 0.327 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.601 8.480 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.958 6.731 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.667 6.346 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.024 7.021 1.979 1.00 0.00 H new ATOM 571 N GLY A 40 -3.586 9.816 2.653 1.00 0.00 N ATOM 572 CA GLY A 40 -2.668 10.763 3.286 1.00 0.00 C ATOM 573 C GLY A 40 -1.400 11.011 2.458 1.00 0.00 C ATOM 574 O GLY A 40 -1.299 10.530 1.328 1.00 0.00 O ATOM 0 H GLY A 40 -3.245 9.469 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.183 11.710 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.386 10.386 4.269 1.00 0.00 H new ATOM 578 N PRO A 41 -0.413 11.749 2.995 1.00 0.00 N ATOM 579 CA PRO A 41 0.831 12.069 2.299 1.00 0.00 C ATOM 580 C PRO A 41 1.693 10.816 2.069 1.00 0.00 C ATOM 581 O PRO A 41 2.252 10.238 3.008 1.00 0.00 O ATOM 582 CB PRO A 41 1.528 13.119 3.174 1.00 0.00 C ATOM 583 CG PRO A 41 0.986 12.830 4.573 1.00 0.00 C ATOM 584 CD PRO A 41 -0.447 12.380 4.303 1.00 0.00 C ATOM 0 HA PRO A 41 0.649 12.459 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.613 13.019 3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.290 14.133 2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.564 12.055 5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.018 13.715 5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.790 11.682 5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.133 13.227 4.313 1.00 0.00 H new ATOM 592 N VAL A 42 1.813 10.416 0.802 1.00 0.00 N ATOM 593 CA VAL A 42 2.695 9.334 0.340 1.00 0.00 C ATOM 594 C VAL A 42 4.103 9.885 0.097 1.00 0.00 C ATOM 595 O VAL A 42 4.278 10.943 -0.515 1.00 0.00 O ATOM 596 CB VAL A 42 2.149 8.643 -0.924 1.00 0.00 C ATOM 597 CG1 VAL A 42 3.095 7.534 -1.403 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.768 8.018 -0.683 1.00 0.00 C ATOM 0 H VAL A 42 1.285 10.847 0.043 1.00 0.00 H new ATOM 0 HA VAL A 42 2.736 8.574 1.121 1.00 0.00 H new ATOM 0 HB VAL A 42 2.068 9.421 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.683 7.065 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.070 7.963 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.205 6.786 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.419 7.541 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.839 7.273 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.063 8.795 -0.388 1.00 0.00 H new ATOM 608 N VAL A 43 5.103 9.150 0.577 1.00 0.00 N ATOM 609 CA VAL A 43 6.527 9.526 0.599 1.00 0.00 C ATOM 610 C VAL A 43 7.341 8.719 -0.419 1.00 0.00 C ATOM 611 O VAL A 43 8.319 9.225 -0.972 1.00 0.00 O ATOM 612 CB VAL A 43 7.104 9.309 2.018 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.443 10.024 2.216 1.00 0.00 C ATOM 614 CG2 VAL A 43 6.175 9.816 3.126 1.00 0.00 C ATOM 0 H VAL A 43 4.941 8.228 0.983 1.00 0.00 H new ATOM 0 HA VAL A 43 6.599 10.579 0.327 1.00 0.00 H new ATOM 0 HB VAL A 43 7.224 8.228 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.807 9.841 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.168 9.645 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.309 11.095 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.635 9.636 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.005 10.885 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.223 9.289 3.072 1.00 0.00 H new ATOM 624 N ASN A 44 6.960 7.455 -0.638 1.00 0.00 N ATOM 625 CA ASN A 44 7.661 6.477 -1.478 1.00 0.00 C ATOM 626 C ASN A 44 6.732 5.297 -1.872 1.00 0.00 C ATOM 627 O ASN A 44 5.760 5.007 -1.173 1.00 0.00 O ATOM 628 CB ASN A 44 8.911 6.043 -0.680 1.00 0.00 C ATOM 629 CG ASN A 44 9.541 4.745 -1.140 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.032 4.625 -2.251 1.00 0.00 O ATOM 631 ND2 ASN A 44 9.533 3.739 -0.297 1.00 0.00 N ATOM 0 H ASN A 44 6.116 7.069 -0.215 1.00 0.00 H new ATOM 0 HA ASN A 44 7.966 6.905 -2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.657 6.835 -0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.638 5.945 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.940 2.844 -0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.120 3.852 0.629 1.00 0.00 H new ATOM 638 N THR A 45 7.052 4.580 -2.954 1.00 0.00 N ATOM 639 CA THR A 45 6.404 3.318 -3.379 1.00 0.00 C ATOM 640 C THR A 45 7.422 2.242 -3.769 1.00 0.00 C ATOM 641 O THR A 45 8.542 2.548 -4.187 1.00 0.00 O ATOM 642 CB THR A 45 5.434 3.511 -4.559 1.00 0.00 C ATOM 643 OG1 THR A 45 5.942 4.375 -5.548 1.00 0.00 O ATOM 644 CG2 THR A 45 4.090 4.058 -4.115 1.00 0.00 C ATOM 0 H THR A 45 7.798 4.867 -3.588 1.00 0.00 H new ATOM 0 HA THR A 45 5.842 2.990 -2.505 1.00 0.00 H new ATOM 0 HB THR A 45 5.310 2.513 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.292 4.455 -6.277 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.441 4.177 -4.983 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.630 3.365 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.232 5.025 -3.633 1.00 0.00 H new ATOM 652 N HIS A 46 7.033 0.965 -3.647 1.00 0.00 N ATOM 653 CA HIS A 46 7.870 -0.193 -3.996 1.00 0.00 C ATOM 654 C HIS A 46 7.037 -1.295 -4.664 1.00 0.00 C ATOM 655 O HIS A 46 6.003 -1.683 -4.129 1.00 0.00 O ATOM 656 CB HIS A 46 8.533 -0.729 -2.713 1.00 0.00 C ATOM 657 CG HIS A 46 9.580 -1.795 -2.933 1.00 0.00 C ATOM 658 ND1 HIS A 46 10.306 -2.015 -4.109 1.00 0.00 N ATOM 659 CD2 HIS A 46 9.979 -2.704 -1.995 1.00 0.00 C ATOM 660 CE1 HIS A 46 11.129 -3.045 -3.848 1.00 0.00 C ATOM 661 NE2 HIS A 46 10.956 -3.476 -2.585 1.00 0.00 N ATOM 0 H HIS A 46 6.112 0.703 -3.297 1.00 0.00 H new ATOM 0 HA HIS A 46 8.634 0.120 -4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.992 0.106 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.757 -1.132 -2.062 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.602 -2.799 -0.987 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.830 -3.467 -4.553 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.461 -4.243 -2.141 1.00 0.00 H new ATOM 669 N MET A 47 7.473 -1.835 -5.801 1.00 0.00 N ATOM 670 CA MET A 47 6.891 -3.033 -6.428 1.00 0.00 C ATOM 671 C MET A 47 8.019 -3.980 -6.868 1.00 0.00 C ATOM 672 O MET A 47 8.649 -3.721 -7.897 1.00 0.00 O ATOM 673 CB MET A 47 5.988 -2.647 -7.617 1.00 0.00 C ATOM 674 CG MET A 47 4.648 -2.057 -7.155 1.00 0.00 C ATOM 675 SD MET A 47 3.620 -1.301 -8.444 1.00 0.00 S ATOM 676 CE MET A 47 3.299 -2.742 -9.475 1.00 0.00 C ATOM 0 H MET A 47 8.257 -1.448 -6.327 1.00 0.00 H new ATOM 0 HA MET A 47 6.265 -3.549 -5.701 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.506 -1.922 -8.245 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.803 -3.527 -8.233 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.071 -2.849 -6.677 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.849 -1.305 -6.392 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.237 -2.788 -9.715 1.00 0.00 H new ATOM 0 HE2 MET A 47 3.876 -2.666 -10.396 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.589 -3.645 -8.938 1.00 0.00 H new ATOM 686 N PRO A 48 8.298 -5.070 -6.126 1.00 0.00 N ATOM 687 CA PRO A 48 9.372 -6.010 -6.455 1.00 0.00 C ATOM 688 C PRO A 48 9.183 -6.686 -7.822 1.00 0.00 C ATOM 689 O PRO A 48 8.135 -7.283 -8.096 1.00 0.00 O ATOM 690 CB PRO A 48 9.401 -7.025 -5.306 1.00 0.00 C ATOM 691 CG PRO A 48 8.845 -6.224 -4.132 1.00 0.00 C ATOM 692 CD PRO A 48 7.783 -5.352 -4.793 1.00 0.00 C ATOM 0 HA PRO A 48 10.324 -5.487 -6.551 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.789 -7.900 -5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.411 -7.383 -5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.418 -6.872 -3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.617 -5.625 -3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.824 -5.868 -4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.622 -4.433 -4.230 1.00 0.00 H new ATOM 700 N LYS A 49 10.211 -6.620 -8.676 1.00 0.00 N ATOM 701 CA LYS A 49 10.178 -7.112 -10.065 1.00 0.00 C ATOM 702 C LYS A 49 10.666 -8.558 -10.203 1.00 0.00 C ATOM 703 O LYS A 49 11.534 -9.015 -9.459 1.00 0.00 O ATOM 704 CB LYS A 49 10.983 -6.184 -10.997 1.00 0.00 C ATOM 705 CG LYS A 49 10.616 -4.689 -10.947 1.00 0.00 C ATOM 706 CD LYS A 49 9.127 -4.397 -11.203 1.00 0.00 C ATOM 707 CE LYS A 49 8.823 -2.895 -11.327 1.00 0.00 C ATOM 708 NZ LYS A 49 9.251 -2.129 -10.127 1.00 0.00 N ATOM 0 H LYS A 49 11.111 -6.215 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 49 9.130 -7.102 -10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.040 -6.286 -10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.857 -6.534 -12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.890 -4.291 -9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.212 -4.155 -11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.815 -4.902 -12.117 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.535 -4.816 -10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.327 -2.497 -12.208 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.753 -2.755 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.835 -1.176 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.930 -2.620 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.288 -2.054 -10.115 1.00 0.00 H new ATOM 722 N ASP A 50 10.133 -9.257 -11.199 1.00 0.00 N ATOM 723 CA ASP A 50 10.557 -10.595 -11.622 1.00 0.00 C ATOM 724 C ASP A 50 11.993 -10.595 -12.188 1.00 0.00 C ATOM 725 O ASP A 50 12.364 -9.720 -12.973 1.00 0.00 O ATOM 726 CB ASP A 50 9.561 -11.106 -12.670 1.00 0.00 C ATOM 727 CG ASP A 50 9.990 -12.465 -13.225 1.00 0.00 C ATOM 728 OD1 ASP A 50 9.717 -13.505 -12.582 1.00 0.00 O ATOM 729 OD2 ASP A 50 10.652 -12.463 -14.286 1.00 0.00 O ATOM 0 H ASP A 50 9.361 -8.895 -11.760 1.00 0.00 H new ATOM 0 HA ASP A 50 10.567 -11.255 -10.755 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.570 -11.189 -12.224 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.484 -10.386 -13.484 1.00 0.00 H new ATOM 734 N ARG A 51 12.798 -11.604 -11.830 1.00 0.00 N ATOM 735 CA ARG A 51 14.237 -11.682 -12.160 1.00 0.00 C ATOM 736 C ARG A 51 14.579 -12.168 -13.582 1.00 0.00 C ATOM 737 O ARG A 51 15.752 -12.421 -13.866 1.00 0.00 O ATOM 738 CB ARG A 51 14.983 -12.455 -11.055 1.00 0.00 C ATOM 739 CG ARG A 51 14.649 -13.955 -11.018 1.00 0.00 C ATOM 740 CD ARG A 51 15.364 -14.667 -9.864 1.00 0.00 C ATOM 741 NE ARG A 51 16.828 -14.723 -10.061 1.00 0.00 N ATOM 742 CZ ARG A 51 17.720 -15.195 -9.208 1.00 0.00 C ATOM 743 NH1 ARG A 51 17.381 -15.689 -8.050 1.00 0.00 N ATOM 744 NH2 ARG A 51 18.987 -15.183 -9.507 1.00 0.00 N ATOM 0 H ARG A 51 12.467 -12.406 -11.293 1.00 0.00 H new ATOM 0 HA ARG A 51 14.597 -10.653 -12.184 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.056 -12.334 -11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.741 -12.014 -10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.572 -14.085 -10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 51 14.936 -14.415 -11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.145 -14.150 -8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.974 -15.680 -9.767 1.00 0.00 H new ATOM 0 HE ARG A 51 17.186 -14.361 -10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.399 -15.720 -7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 51 18.098 -16.044 -7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.296 -14.808 -10.404 1.00 0.00 H new ATOM 0 HH22 ARG A 51 19.671 -15.549 -8.844 1.00 0.00 H new ATOM 758 N VAL A 52 13.589 -12.314 -14.470 1.00 0.00 N ATOM 759 CA VAL A 52 13.748 -12.867 -15.835 1.00 0.00 C ATOM 760 C VAL A 52 13.055 -11.986 -16.881 1.00 0.00 C ATOM 761 O VAL A 52 13.586 -11.790 -17.976 1.00 0.00 O ATOM 762 CB VAL A 52 13.198 -14.312 -15.912 1.00 0.00 C ATOM 763 CG1 VAL A 52 13.479 -14.958 -17.276 1.00 0.00 C ATOM 764 CG2 VAL A 52 13.809 -15.229 -14.841 1.00 0.00 C ATOM 0 H VAL A 52 12.627 -12.046 -14.261 1.00 0.00 H new ATOM 0 HA VAL A 52 14.815 -12.884 -16.056 1.00 0.00 H new ATOM 0 HB VAL A 52 12.125 -14.216 -15.749 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.077 -15.971 -17.289 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.005 -14.370 -18.062 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.555 -14.992 -17.448 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.390 -16.231 -14.938 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.890 -15.273 -14.973 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.581 -14.835 -13.851 1.00 0.00 H new ATOM 774 N THR A 53 11.896 -11.418 -16.539 1.00 0.00 N ATOM 775 CA THR A 53 11.035 -10.617 -17.427 1.00 0.00 C ATOM 776 C THR A 53 10.911 -9.164 -16.972 1.00 0.00 C ATOM 777 O THR A 53 10.441 -8.310 -17.731 1.00 0.00 O ATOM 778 CB THR A 53 9.629 -11.230 -17.536 1.00 0.00 C ATOM 779 OG1 THR A 53 8.988 -11.222 -16.276 1.00 0.00 O ATOM 780 CG2 THR A 53 9.637 -12.669 -18.055 1.00 0.00 C ATOM 0 H THR A 53 11.512 -11.504 -15.598 1.00 0.00 H new ATOM 0 HA THR A 53 11.519 -10.628 -18.404 1.00 0.00 H new ATOM 0 HB THR A 53 9.091 -10.611 -18.254 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.547 -11.692 -15.622 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.614 -13.042 -18.108 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.085 -12.695 -19.048 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.218 -13.296 -17.379 1.00 0.00 H new ATOM 788 N GLY A 54 11.318 -8.866 -15.734 1.00 0.00 N ATOM 789 CA GLY A 54 11.354 -7.522 -15.164 1.00 0.00 C ATOM 790 C GLY A 54 9.984 -6.888 -14.879 1.00 0.00 C ATOM 791 O GLY A 54 9.914 -5.704 -14.544 1.00 0.00 O ATOM 0 H GLY A 54 11.642 -9.580 -15.082 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.920 -7.556 -14.233 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.901 -6.871 -15.846 1.00 0.00 H new ATOM 795 N GLN A 55 8.894 -7.652 -15.008 1.00 0.00 N ATOM 796 CA GLN A 55 7.524 -7.214 -14.712 1.00 0.00 C ATOM 797 C GLN A 55 7.237 -7.284 -13.202 1.00 0.00 C ATOM 798 O GLN A 55 7.957 -7.961 -12.464 1.00 0.00 O ATOM 799 CB GLN A 55 6.517 -8.067 -15.510 1.00 0.00 C ATOM 800 CG GLN A 55 6.810 -8.172 -17.019 1.00 0.00 C ATOM 801 CD GLN A 55 7.001 -6.816 -17.699 1.00 0.00 C ATOM 802 OE1 GLN A 55 6.085 -6.011 -17.812 1.00 0.00 O ATOM 803 NE2 GLN A 55 8.191 -6.499 -18.167 1.00 0.00 N ATOM 0 H GLN A 55 8.941 -8.619 -15.330 1.00 0.00 H new ATOM 0 HA GLN A 55 7.416 -6.173 -15.017 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.498 -9.072 -15.087 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.520 -7.646 -15.376 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.708 -8.773 -17.166 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.990 -8.701 -17.504 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.965 -7.158 -18.081 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.338 -5.595 -18.615 1.00 0.00 H new ATOM 812 N HIS A 56 6.190 -6.611 -12.711 1.00 0.00 N ATOM 813 CA HIS A 56 5.787 -6.739 -11.300 1.00 0.00 C ATOM 814 C HIS A 56 5.184 -8.124 -10.999 1.00 0.00 C ATOM 815 O HIS A 56 4.653 -8.799 -11.885 1.00 0.00 O ATOM 816 CB HIS A 56 4.891 -5.572 -10.858 1.00 0.00 C ATOM 817 CG HIS A 56 3.428 -5.677 -11.224 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.515 -6.557 -10.635 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.754 -4.853 -12.079 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.318 -6.257 -11.166 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.432 -5.232 -12.023 1.00 0.00 N ATOM 0 H HIS A 56 5.610 -5.978 -13.261 1.00 0.00 H new ATOM 0 HA HIS A 56 6.688 -6.671 -10.690 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.967 -5.473 -9.775 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.287 -4.653 -11.291 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.175 -4.061 -12.680 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.395 -6.769 -10.935 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.667 -4.805 -12.546 1.00 0.00 H new ATOM 829 N GLN A 57 5.286 -8.557 -9.740 1.00 0.00 N ATOM 830 CA GLN A 57 4.959 -9.924 -9.301 1.00 0.00 C ATOM 831 C GLN A 57 3.546 -10.056 -8.686 1.00 0.00 C ATOM 832 O GLN A 57 3.275 -10.982 -7.920 1.00 0.00 O ATOM 833 CB GLN A 57 6.086 -10.434 -8.386 1.00 0.00 C ATOM 834 CG GLN A 57 7.417 -10.578 -9.145 1.00 0.00 C ATOM 835 CD GLN A 57 8.556 -10.961 -8.209 1.00 0.00 C ATOM 836 OE1 GLN A 57 9.034 -12.088 -8.180 1.00 0.00 O ATOM 837 NE2 GLN A 57 9.028 -10.034 -7.406 1.00 0.00 N ATOM 0 H GLN A 57 5.604 -7.958 -8.978 1.00 0.00 H new ATOM 0 HA GLN A 57 4.907 -10.570 -10.178 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.216 -9.745 -7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.803 -11.398 -7.963 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.313 -11.335 -9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.655 -9.639 -9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.634 -9.093 -7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.788 -10.255 -6.763 1.00 0.00 H new ATOM 846 N GLY A 58 2.636 -9.127 -9.002 1.00 0.00 N ATOM 847 CA GLY A 58 1.252 -9.104 -8.511 1.00 0.00 C ATOM 848 C GLY A 58 1.055 -8.419 -7.152 1.00 0.00 C ATOM 849 O GLY A 58 -0.071 -8.393 -6.650 1.00 0.00 O ATOM 0 H GLY A 58 2.848 -8.347 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.629 -8.598 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.891 -10.130 -8.439 1.00 0.00 H new ATOM 853 N TYR A 59 2.110 -7.851 -6.558 1.00 0.00 N ATOM 854 CA TYR A 59 2.054 -7.118 -5.288 1.00 0.00 C ATOM 855 C TYR A 59 2.973 -5.883 -5.263 1.00 0.00 C ATOM 856 O TYR A 59 3.927 -5.771 -6.038 1.00 0.00 O ATOM 857 CB TYR A 59 2.353 -8.061 -4.113 1.00 0.00 C ATOM 858 CG TYR A 59 3.795 -8.527 -3.997 1.00 0.00 C ATOM 859 CD1 TYR A 59 4.253 -9.606 -4.778 1.00 0.00 C ATOM 860 CD2 TYR A 59 4.673 -7.899 -3.089 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.586 -10.047 -4.668 1.00 0.00 C ATOM 862 CE2 TYR A 59 6.001 -8.355 -2.960 1.00 0.00 C ATOM 863 CZ TYR A 59 6.466 -9.423 -3.757 1.00 0.00 C ATOM 864 OH TYR A 59 7.750 -9.861 -3.650 1.00 0.00 O ATOM 0 H TYR A 59 3.048 -7.889 -6.956 1.00 0.00 H new ATOM 0 HA TYR A 59 1.038 -6.737 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.077 -7.557 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.712 -8.938 -4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.579 -10.097 -5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.328 -7.068 -2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.936 -10.864 -5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.665 -7.885 -2.249 1.00 0.00 H new ATOM 0 HH TYR A 59 8.258 -9.248 -3.079 1.00 0.00 H new ATOM 874 N GLY A 60 2.664 -4.951 -4.361 1.00 0.00 N ATOM 875 CA GLY A 60 3.366 -3.684 -4.166 1.00 0.00 C ATOM 876 C GLY A 60 3.216 -3.129 -2.748 1.00 0.00 C ATOM 877 O GLY A 60 2.574 -3.734 -1.887 1.00 0.00 O ATOM 0 H GLY A 60 1.881 -5.065 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.424 -3.824 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.987 -2.952 -4.879 1.00 0.00 H new ATOM 881 N PHE A 61 3.804 -1.958 -2.515 1.00 0.00 N ATOM 882 CA PHE A 61 3.825 -1.256 -1.233 1.00 0.00 C ATOM 883 C PHE A 61 3.748 0.267 -1.409 1.00 0.00 C ATOM 884 O PHE A 61 4.252 0.813 -2.396 1.00 0.00 O ATOM 885 CB PHE A 61 5.109 -1.582 -0.457 1.00 0.00 C ATOM 886 CG PHE A 61 5.421 -3.046 -0.216 1.00 0.00 C ATOM 887 CD1 PHE A 61 4.990 -3.676 0.966 1.00 0.00 C ATOM 888 CD2 PHE A 61 6.188 -3.768 -1.152 1.00 0.00 C ATOM 889 CE1 PHE A 61 5.318 -5.021 1.210 1.00 0.00 C ATOM 890 CE2 PHE A 61 6.506 -5.116 -0.914 1.00 0.00 C ATOM 891 CZ PHE A 61 6.064 -5.746 0.261 1.00 0.00 C ATOM 0 H PHE A 61 4.301 -1.450 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 61 2.949 -1.596 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.949 -1.142 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.054 -1.085 0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.406 -3.125 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.532 -3.284 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.998 -5.498 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.091 -5.668 -1.635 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.296 -6.786 0.437 1.00 0.00 H new ATOM 901 N VAL A 62 3.187 0.956 -0.409 1.00 0.00 N ATOM 902 CA VAL A 62 3.076 2.427 -0.358 1.00 0.00 C ATOM 903 C VAL A 62 3.486 2.936 1.024 1.00 0.00 C ATOM 904 O VAL A 62 2.895 2.543 2.027 1.00 0.00 O ATOM 905 CB VAL A 62 1.647 2.903 -0.703 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.629 4.418 -0.909 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.081 2.229 -1.957 1.00 0.00 C ATOM 0 H VAL A 62 2.786 0.499 0.410 1.00 0.00 H new ATOM 0 HA VAL A 62 3.751 2.840 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 62 1.018 2.622 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.616 4.740 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.958 4.913 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.299 4.682 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.075 2.603 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.721 2.453 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.044 1.150 -1.805 1.00 0.00 H new ATOM 917 N GLU A 63 4.500 3.797 1.091 1.00 0.00 N ATOM 918 CA GLU A 63 5.043 4.360 2.333 1.00 0.00 C ATOM 919 C GLU A 63 4.447 5.745 2.606 1.00 0.00 C ATOM 920 O GLU A 63 4.631 6.677 1.821 1.00 0.00 O ATOM 921 CB GLU A 63 6.576 4.398 2.248 1.00 0.00 C ATOM 922 CG GLU A 63 7.262 4.832 3.554 1.00 0.00 C ATOM 923 CD GLU A 63 8.777 4.536 3.525 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.399 4.673 2.441 1.00 0.00 O ATOM 925 OE2 GLU A 63 9.360 4.180 4.577 1.00 0.00 O ATOM 0 H GLU A 63 4.983 4.134 0.259 1.00 0.00 H new ATOM 0 HA GLU A 63 4.765 3.726 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.939 3.409 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.869 5.081 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.102 5.898 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.805 4.312 4.396 1.00 0.00 H new ATOM 932 N PHE A 64 3.745 5.886 3.729 1.00 0.00 N ATOM 933 CA PHE A 64 3.153 7.138 4.197 1.00 0.00 C ATOM 934 C PHE A 64 4.055 7.868 5.197 1.00 0.00 C ATOM 935 O PHE A 64 4.953 7.281 5.807 1.00 0.00 O ATOM 936 CB PHE A 64 1.778 6.860 4.811 1.00 0.00 C ATOM 937 CG PHE A 64 0.722 6.509 3.788 1.00 0.00 C ATOM 938 CD1 PHE A 64 -0.023 7.541 3.191 1.00 0.00 C ATOM 939 CD2 PHE A 64 0.495 5.169 3.419 1.00 0.00 C ATOM 940 CE1 PHE A 64 -1.015 7.233 2.247 1.00 0.00 C ATOM 941 CE2 PHE A 64 -0.497 4.863 2.470 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.257 5.899 1.895 1.00 0.00 C ATOM 0 H PHE A 64 3.567 5.105 4.360 1.00 0.00 H new ATOM 0 HA PHE A 64 3.040 7.797 3.336 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.867 6.042 5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.454 7.738 5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.168 8.570 3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.081 4.378 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.592 8.025 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.675 3.837 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.031 5.664 1.179 1.00 0.00 H new ATOM 952 N LEU A 65 3.787 9.162 5.391 1.00 0.00 N ATOM 953 CA LEU A 65 4.514 10.001 6.347 1.00 0.00 C ATOM 954 C LEU A 65 4.311 9.541 7.804 1.00 0.00 C ATOM 955 O LEU A 65 5.237 9.631 8.613 1.00 0.00 O ATOM 956 CB LEU A 65 4.050 11.454 6.150 1.00 0.00 C ATOM 957 CG LEU A 65 4.991 12.496 6.773 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.254 12.685 5.930 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.282 13.850 6.859 1.00 0.00 C ATOM 0 H LEU A 65 3.054 9.660 4.886 1.00 0.00 H new ATOM 0 HA LEU A 65 5.584 9.916 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.957 11.654 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.057 11.570 6.584 1.00 0.00 H new ATOM 0 HG LEU A 65 5.266 12.133 7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.897 13.429 6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.788 11.738 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.978 13.023 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.954 14.585 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.996 14.175 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.390 13.755 7.478 1.00 0.00 H new ATOM 971 N SER A 66 3.117 9.025 8.123 1.00 0.00 N ATOM 972 CA SER A 66 2.729 8.585 9.471 1.00 0.00 C ATOM 973 C SER A 66 1.900 7.304 9.451 1.00 0.00 C ATOM 974 O SER A 66 1.207 6.980 8.487 1.00 0.00 O ATOM 975 CB SER A 66 1.957 9.686 10.222 1.00 0.00 C ATOM 976 OG SER A 66 2.525 10.979 10.065 1.00 0.00 O ATOM 0 H SER A 66 2.375 8.898 7.434 1.00 0.00 H new ATOM 0 HA SER A 66 3.660 8.377 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.927 9.704 9.867 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.924 9.438 11.283 1.00 0.00 H new ATOM 0 HG SER A 66 1.991 11.633 10.562 1.00 0.00 H new ATOM 982 N GLU A 67 1.953 6.574 10.561 1.00 0.00 N ATOM 983 CA GLU A 67 1.298 5.274 10.737 1.00 0.00 C ATOM 984 C GLU A 67 -0.240 5.374 10.697 1.00 0.00 C ATOM 985 O GLU A 67 -0.914 4.463 10.219 1.00 0.00 O ATOM 986 CB GLU A 67 1.758 4.696 12.079 1.00 0.00 C ATOM 987 CG GLU A 67 3.272 4.428 12.160 1.00 0.00 C ATOM 988 CD GLU A 67 3.759 4.024 13.572 1.00 0.00 C ATOM 989 OE1 GLU A 67 4.990 3.856 13.747 1.00 0.00 O ATOM 990 OE2 GLU A 67 2.949 3.922 14.528 1.00 0.00 O ATOM 0 H GLU A 67 2.467 6.876 11.389 1.00 0.00 H new ATOM 0 HA GLU A 67 1.582 4.623 9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.479 5.386 12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.224 3.764 12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.530 3.636 11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.808 5.323 11.843 1.00 0.00 H new ATOM 997 N GLU A 68 -0.807 6.505 11.132 1.00 0.00 N ATOM 998 CA GLU A 68 -2.251 6.777 11.053 1.00 0.00 C ATOM 999 C GLU A 68 -2.741 7.054 9.617 1.00 0.00 C ATOM 1000 O GLU A 68 -3.893 6.767 9.292 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.626 7.918 12.015 1.00 0.00 C ATOM 1002 CG GLU A 68 -1.991 9.275 11.673 1.00 0.00 C ATOM 1003 CD GLU A 68 -2.372 10.337 12.722 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -3.438 10.985 12.581 1.00 0.00 O ATOM 1005 OE2 GLU A 68 -1.608 10.533 13.699 1.00 0.00 O ATOM 0 H GLU A 68 -0.273 7.266 11.553 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.769 5.869 11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.710 8.030 12.021 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.329 7.637 13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.907 9.173 11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.321 9.598 10.686 1.00 0.00 H new ATOM 1012 N ASP A 69 -1.866 7.547 8.733 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.166 7.710 7.304 1.00 0.00 C ATOM 1014 C ASP A 69 -2.128 6.357 6.575 1.00 0.00 C ATOM 1015 O ASP A 69 -2.952 6.101 5.693 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.182 8.705 6.674 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.315 10.123 7.251 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -2.420 10.711 7.173 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -0.301 10.663 7.749 1.00 0.00 O ATOM 0 H ASP A 69 -0.925 7.846 8.989 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.176 8.108 7.202 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.164 8.349 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.347 8.739 5.597 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.240 5.450 7.003 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.207 4.071 6.524 1.00 0.00 C ATOM 1026 C ALA A 70 -2.453 3.292 6.982 1.00 0.00 C ATOM 1027 O ALA A 70 -3.116 2.658 6.165 1.00 0.00 O ATOM 1028 CB ALA A 70 0.100 3.427 7.004 1.00 0.00 C ATOM 0 H ALA A 70 -0.521 5.659 7.696 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.230 4.050 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.146 2.395 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.948 3.983 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.136 3.446 8.093 1.00 0.00 H new ATOM 1034 N ASP A 71 -2.844 3.403 8.258 1.00 0.00 N ATOM 1035 CA ASP A 71 -4.074 2.800 8.792 1.00 0.00 C ATOM 1036 C ASP A 71 -5.339 3.251 8.032 1.00 0.00 C ATOM 1037 O ASP A 71 -6.232 2.443 7.768 1.00 0.00 O ATOM 1038 CB ASP A 71 -4.181 3.136 10.284 1.00 0.00 C ATOM 1039 CG ASP A 71 -5.398 2.459 10.938 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -5.354 1.226 11.162 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -6.388 3.163 11.253 1.00 0.00 O ATOM 0 H ASP A 71 -2.310 3.919 8.957 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.012 1.721 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.271 2.819 10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.256 4.216 10.409 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.384 4.514 7.596 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.472 5.045 6.769 1.00 0.00 C ATOM 1048 C TYR A 72 -6.459 4.449 5.352 1.00 0.00 C ATOM 1049 O TYR A 72 -7.514 4.109 4.824 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.392 6.576 6.740 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.670 7.259 6.283 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -8.014 7.288 4.917 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -8.506 7.886 7.227 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -9.176 7.958 4.493 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -9.660 8.575 6.805 1.00 0.00 C ATOM 1056 CZ TYR A 72 -9.999 8.614 5.433 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.114 9.272 5.014 1.00 0.00 O ATOM 0 H TYR A 72 -4.661 5.201 7.809 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.422 4.751 7.215 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.139 6.934 7.738 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.578 6.873 6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.383 6.794 4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.262 7.838 8.278 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -9.439 7.970 3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.286 9.074 7.530 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.570 9.668 5.786 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.291 4.239 4.737 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.203 3.601 3.422 1.00 0.00 C ATOM 1069 C ALA A 73 -5.646 2.129 3.470 1.00 0.00 C ATOM 1070 O ALA A 73 -6.350 1.671 2.571 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.774 3.762 2.902 1.00 0.00 C ATOM 0 H ALA A 73 -4.389 4.504 5.133 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.891 4.089 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.688 3.292 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.534 4.822 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.079 3.286 3.594 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.330 1.415 4.557 1.00 0.00 N ATOM 1078 CA ILE A 74 -5.817 0.047 4.811 1.00 0.00 C ATOM 1079 C ILE A 74 -7.348 0.036 4.985 1.00 0.00 C ATOM 1080 O ILE A 74 -8.010 -0.910 4.557 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.087 -0.573 6.029 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.558 -0.586 5.809 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -5.565 -2.017 6.273 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -2.743 -0.777 7.087 1.00 0.00 C ATOM 0 H ILE A 74 -4.723 1.771 5.295 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.588 -0.574 3.945 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.322 0.042 6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.310 -1.385 5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.262 0.352 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.040 -2.434 7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.637 -2.017 6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.356 -2.623 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.680 -0.774 6.845 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.959 0.035 7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.007 -1.728 7.548 1.00 0.00 H new ATOM 1096 N LYS A 75 -7.932 1.111 5.537 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.386 1.284 5.673 1.00 0.00 C ATOM 1098 C LYS A 75 -10.083 1.439 4.316 1.00 0.00 C ATOM 1099 O LYS A 75 -11.087 0.766 4.077 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.675 2.469 6.615 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.164 2.596 6.951 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.457 3.770 7.896 1.00 0.00 C ATOM 1103 CE LYS A 75 -11.339 5.124 7.181 1.00 0.00 C ATOM 1104 NZ LYS A 75 -11.783 6.236 8.060 1.00 0.00 N ATOM 0 H LYS A 75 -7.398 1.897 5.907 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.803 0.379 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.106 2.344 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.330 3.392 6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.731 2.726 6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.510 1.670 7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.461 3.663 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.763 3.742 8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.305 5.288 6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.941 5.112 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.237 7.093 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.795 6.420 7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.629 5.975 9.055 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.570 2.300 3.429 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.252 2.650 2.171 1.00 0.00 C ATOM 1120 C ILE A 76 -9.900 1.754 0.974 1.00 0.00 C ATOM 1121 O ILE A 76 -10.790 1.455 0.181 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.081 4.143 1.819 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.617 4.595 1.643 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.771 5.012 2.885 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.498 5.883 0.832 1.00 0.00 C ATOM 0 H ILE A 76 -8.676 2.773 3.559 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.306 2.458 2.372 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.552 4.275 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.165 4.744 2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.053 3.804 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.647 6.065 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.833 4.770 2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.322 4.818 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.447 6.158 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.924 5.729 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.038 6.683 1.338 1.00 0.00 H new ATOM 1137 N MET A 77 -8.646 1.305 0.826 1.00 0.00 N ATOM 1138 CA MET A 77 -8.164 0.618 -0.392 1.00 0.00 C ATOM 1139 C MET A 77 -8.283 -0.909 -0.350 1.00 0.00 C ATOM 1140 O MET A 77 -7.937 -1.595 -1.312 1.00 0.00 O ATOM 1141 CB MET A 77 -6.750 1.081 -0.756 1.00 0.00 C ATOM 1142 CG MET A 77 -6.713 2.520 -1.274 1.00 0.00 C ATOM 1143 SD MET A 77 -7.221 2.691 -3.003 1.00 0.00 S ATOM 1144 CE MET A 77 -6.701 4.402 -3.264 1.00 0.00 C ATOM 0 H MET A 77 -7.931 1.406 1.547 1.00 0.00 H new ATOM 0 HA MET A 77 -8.841 0.918 -1.192 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.108 0.999 0.121 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.339 0.416 -1.515 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.362 3.136 -0.652 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.701 2.910 -1.163 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.371 4.881 -3.978 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.734 4.941 -2.317 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.683 4.417 -3.655 1.00 0.00 H new ATOM 1154 N ASP A 78 -8.802 -1.455 0.743 1.00 0.00 N ATOM 1155 CA ASP A 78 -8.996 -2.898 0.906 1.00 0.00 C ATOM 1156 C ASP A 78 -10.313 -3.378 0.269 1.00 0.00 C ATOM 1157 O ASP A 78 -11.353 -2.728 0.395 1.00 0.00 O ATOM 1158 CB ASP A 78 -8.871 -3.300 2.383 1.00 0.00 C ATOM 1159 CG ASP A 78 -8.846 -4.823 2.547 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -8.122 -5.489 1.775 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -9.558 -5.376 3.415 1.00 0.00 O ATOM 0 H ASP A 78 -9.104 -0.908 1.550 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.200 -3.409 0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.960 -2.872 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.707 -2.885 2.947 1.00 0.00 H new ATOM 1166 N MET A 79 -10.261 -4.516 -0.434 1.00 0.00 N ATOM 1167 CA MET A 79 -11.340 -5.070 -1.270 1.00 0.00 C ATOM 1168 C MET A 79 -11.828 -4.154 -2.416 1.00 0.00 C ATOM 1169 O MET A 79 -12.864 -4.417 -3.031 1.00 0.00 O ATOM 1170 CB MET A 79 -12.481 -5.653 -0.415 1.00 0.00 C ATOM 1171 CG MET A 79 -11.951 -6.551 0.713 1.00 0.00 C ATOM 1172 SD MET A 79 -13.126 -7.770 1.359 1.00 0.00 S ATOM 1173 CE MET A 79 -13.000 -8.998 0.030 1.00 0.00 C ATOM 0 H MET A 79 -9.428 -5.105 -0.438 1.00 0.00 H new ATOM 0 HA MET A 79 -10.884 -5.901 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 79 -13.066 -4.839 0.014 1.00 0.00 H new ATOM 0 HB3 MET A 79 -13.154 -6.228 -1.051 1.00 0.00 H new ATOM 0 HG2 MET A 79 -11.070 -7.079 0.349 1.00 0.00 H new ATOM 0 HG3 MET A 79 -11.624 -5.916 1.536 1.00 0.00 H new ATOM 0 HE1 MET A 79 -13.646 -9.846 0.256 1.00 0.00 H new ATOM 0 HE2 MET A 79 -13.310 -8.547 -0.913 1.00 0.00 H new ATOM 0 HE3 MET A 79 -11.968 -9.339 -0.053 1.00 0.00 H new ATOM 1183 N ILE A 80 -11.071 -3.099 -2.738 1.00 0.00 N ATOM 1184 CA ILE A 80 -11.253 -2.257 -3.931 1.00 0.00 C ATOM 1185 C ILE A 80 -10.818 -3.022 -5.192 1.00 0.00 C ATOM 1186 O ILE A 80 -9.963 -3.902 -5.129 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.526 -0.901 -3.717 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -11.494 0.080 -3.015 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -9.896 -0.297 -4.980 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -11.018 1.538 -2.945 1.00 0.00 C ATOM 0 H ILE A 80 -10.289 -2.796 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.306 -2.020 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.664 -1.096 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.452 0.053 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.672 -0.276 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.413 0.647 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.156 -0.988 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.672 -0.121 -5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.768 2.142 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.077 1.588 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.870 1.921 -3.955 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.400 -2.690 -6.349 1.00 0.00 N ATOM 1203 CA LYS A 81 -11.168 -3.368 -7.636 1.00 0.00 C ATOM 1204 C LYS A 81 -10.415 -2.483 -8.637 1.00 0.00 C ATOM 1205 O LYS A 81 -10.974 -2.049 -9.646 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.509 -3.888 -8.175 1.00 0.00 C ATOM 1207 CG LYS A 81 -13.131 -4.961 -7.261 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.368 -5.632 -7.876 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.993 -6.626 -8.983 1.00 0.00 C ATOM 1210 NZ LYS A 81 -15.200 -7.186 -9.646 1.00 0.00 N ATOM 0 H LYS A 81 -12.065 -1.920 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.509 -4.222 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.204 -3.055 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.361 -4.304 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.382 -5.723 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.407 -4.505 -6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.924 -6.152 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.030 -4.868 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.368 -6.128 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.400 -7.437 -8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.910 -7.854 -10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.784 -7.682 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.752 -6.414 -10.071 1.00 0.00 H new ATOM 1224 N LEU A 82 -9.134 -2.225 -8.366 1.00 0.00 N ATOM 1225 CA LEU A 82 -8.239 -1.467 -9.257 1.00 0.00 C ATOM 1226 C LEU A 82 -8.169 -2.147 -10.640 1.00 0.00 C ATOM 1227 O LEU A 82 -7.894 -3.346 -10.719 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.860 -1.344 -8.577 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.835 -0.458 -9.309 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.375 0.947 -9.596 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.585 -0.321 -8.437 1.00 0.00 C ATOM 0 H LEU A 82 -8.678 -2.539 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.620 -0.460 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.004 -0.948 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.438 -2.343 -8.468 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.611 -0.937 -10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.614 1.531 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.264 0.874 -10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.632 1.437 -8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.853 0.305 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.854 0.137 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.157 -1.307 -8.257 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.476 -1.413 -11.720 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.677 -1.981 -13.071 1.00 0.00 C ATOM 1245 C TYR A 83 -9.563 -3.261 -13.158 1.00 0.00 C ATOM 1246 O TYR A 83 -9.370 -4.092 -14.049 1.00 0.00 O ATOM 1247 CB TYR A 83 -7.321 -2.145 -13.784 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.480 -0.885 -13.869 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -6.966 0.245 -14.558 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -5.197 -0.855 -13.292 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -6.169 1.401 -14.674 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -4.392 0.291 -13.422 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.875 1.424 -14.108 1.00 0.00 C ATOM 1254 OH TYR A 83 -4.089 2.527 -14.239 1.00 0.00 O ATOM 0 H TYR A 83 -8.594 -0.400 -11.685 1.00 0.00 H new ATOM 0 HA TYR A 83 -9.282 -1.247 -13.604 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.746 -2.912 -13.265 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.502 -2.511 -14.795 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.952 0.224 -14.998 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.830 -1.713 -12.749 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.547 2.268 -15.195 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.400 0.303 -12.995 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.653 3.326 -14.296 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.546 -3.448 -12.261 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.496 -4.576 -12.305 1.00 0.00 C ATOM 1266 C GLY A 84 -10.974 -5.919 -11.757 1.00 0.00 C ATOM 1267 O GLY A 84 -11.455 -6.978 -12.163 1.00 0.00 O ATOM 0 H GLY A 84 -10.706 -2.815 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.387 -4.298 -11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.806 -4.724 -13.339 1.00 0.00 H new ATOM 1271 N LYS A 85 -10.006 -5.886 -10.831 1.00 0.00 N ATOM 1272 CA LYS A 85 -9.356 -7.015 -10.157 1.00 0.00 C ATOM 1273 C LYS A 85 -9.218 -6.656 -8.664 1.00 0.00 C ATOM 1274 O LYS A 85 -8.632 -5.615 -8.357 1.00 0.00 O ATOM 1275 CB LYS A 85 -7.984 -7.260 -10.815 1.00 0.00 C ATOM 1276 CG LYS A 85 -7.264 -8.483 -10.225 1.00 0.00 C ATOM 1277 CD LYS A 85 -5.889 -8.674 -10.878 1.00 0.00 C ATOM 1278 CE LYS A 85 -5.179 -9.884 -10.260 1.00 0.00 C ATOM 1279 NZ LYS A 85 -3.831 -10.092 -10.852 1.00 0.00 N ATOM 0 H LYS A 85 -9.627 -4.995 -10.509 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.939 -7.932 -10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.118 -7.402 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.359 -6.376 -10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.146 -8.357 -9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.871 -9.376 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.004 -8.819 -11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.284 -7.778 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.086 -9.740 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.785 -10.778 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.368 -10.898 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.925 -10.287 -11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.256 -9.236 -10.716 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.792 -7.438 -7.733 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.848 -7.076 -6.318 1.00 0.00 C ATOM 1295 C PRO A 86 -8.466 -7.131 -5.649 1.00 0.00 C ATOM 1296 O PRO A 86 -7.815 -8.179 -5.625 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.873 -8.024 -5.683 1.00 0.00 C ATOM 1298 CG PRO A 86 -10.899 -9.227 -6.622 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.603 -8.613 -7.989 1.00 0.00 C ATOM 0 HA PRO A 86 -10.158 -6.040 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.578 -8.312 -4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.855 -7.556 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.151 -9.970 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.867 -9.728 -6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.074 -9.320 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.525 -8.346 -8.504 1.00 0.00 H new ATOM 1307 N ILE A 87 -8.043 -6.000 -5.077 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.818 -5.860 -4.280 1.00 0.00 C ATOM 1309 C ILE A 87 -7.106 -6.029 -2.783 1.00 0.00 C ATOM 1310 O ILE A 87 -8.161 -5.623 -2.286 1.00 0.00 O ATOM 1311 CB ILE A 87 -6.065 -4.538 -4.574 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.922 -3.265 -4.386 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.482 -4.583 -5.996 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -6.094 -1.986 -4.206 1.00 0.00 C ATOM 0 H ILE A 87 -8.561 -5.125 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.150 -6.666 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.268 -4.467 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.575 -3.146 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.566 -3.396 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.953 -3.653 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.789 -5.421 -6.079 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.290 -4.708 -6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.763 -1.134 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.460 -2.084 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.470 -1.830 -5.086 1.00 0.00 H new ATOM 1326 N ARG A 88 -6.148 -6.603 -2.049 1.00 0.00 N ATOM 1327 CA ARG A 88 -6.143 -6.665 -0.578 1.00 0.00 C ATOM 1328 C ARG A 88 -5.047 -5.771 -0.007 1.00 0.00 C ATOM 1329 O ARG A 88 -3.943 -5.736 -0.551 1.00 0.00 O ATOM 1330 CB ARG A 88 -6.008 -8.112 -0.071 1.00 0.00 C ATOM 1331 CG ARG A 88 -7.134 -9.069 -0.503 1.00 0.00 C ATOM 1332 CD ARG A 88 -8.563 -8.565 -0.242 1.00 0.00 C ATOM 1333 NE ARG A 88 -8.778 -8.115 1.148 1.00 0.00 N ATOM 1334 CZ ARG A 88 -9.276 -8.790 2.165 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -9.537 -10.065 2.100 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -9.527 -8.173 3.279 1.00 0.00 N ATOM 0 H ARG A 88 -5.333 -7.050 -2.469 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.104 -6.292 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.057 -8.515 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.966 -8.095 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.027 -9.271 -1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.001 -10.018 0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.780 -7.741 -0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.270 -9.362 -0.472 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.505 -7.153 1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.356 -10.579 1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.922 -10.549 2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.339 -7.174 3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.912 -8.687 4.071 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.347 -5.060 1.081 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.451 -4.069 1.705 1.00 0.00 C ATOM 1352 C VAL A 89 -4.327 -4.312 3.211 1.00 0.00 C ATOM 1353 O VAL A 89 -5.314 -4.624 3.879 1.00 0.00 O ATOM 1354 CB VAL A 89 -4.899 -2.625 1.392 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -3.897 -1.578 1.890 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -5.029 -2.403 -0.118 1.00 0.00 C ATOM 0 H VAL A 89 -6.238 -5.155 1.568 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.459 -4.196 1.270 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.855 -2.506 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.261 -0.580 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.784 -1.667 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.932 -1.741 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.346 -1.378 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.066 -2.580 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.768 -3.093 -0.525 1.00 0.00 H new ATOM 1366 N ASN A 90 -3.108 -4.182 3.742 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.756 -4.341 5.162 1.00 0.00 C ATOM 1368 C ASN A 90 -1.413 -3.630 5.459 1.00 0.00 C ATOM 1369 O ASN A 90 -0.809 -3.046 4.560 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.698 -5.857 5.459 1.00 0.00 C ATOM 1371 CG ASN A 90 -2.693 -6.233 6.934 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -2.851 -5.408 7.824 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -2.506 -7.494 7.244 1.00 0.00 N ATOM 0 H ASN A 90 -2.297 -3.952 3.167 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.500 -3.879 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.553 -6.337 4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.802 -6.267 4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.493 -7.782 8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.374 -8.186 6.507 1.00 0.00 H new ATOM 1380 N LYS A 91 -0.917 -3.679 6.699 1.00 0.00 N ATOM 1381 CA LYS A 91 0.431 -3.220 7.089 1.00 0.00 C ATOM 1382 C LYS A 91 1.524 -3.972 6.310 1.00 0.00 C ATOM 1383 O LYS A 91 1.367 -5.159 6.024 1.00 0.00 O ATOM 1384 CB LYS A 91 0.654 -3.472 8.594 1.00 0.00 C ATOM 1385 CG LYS A 91 -0.427 -2.938 9.547 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.459 -1.406 9.660 1.00 0.00 C ATOM 1387 CE LYS A 91 0.686 -0.806 10.486 1.00 0.00 C ATOM 1388 NZ LYS A 91 0.605 -1.140 11.931 1.00 0.00 N ATOM 0 H LYS A 91 -1.452 -4.048 7.485 1.00 0.00 H new ATOM 0 HA LYS A 91 0.495 -2.156 6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.745 -4.547 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.608 -3.027 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.402 -3.287 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.265 -3.362 10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.429 -0.979 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.408 -1.107 10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.637 -1.164 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.680 0.278 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.145 -0.441 12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.389 -1.125 12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.002 -2.088 12.091 1.00 0.00 H new ATOM 1402 N ALA A 92 2.655 -3.323 6.029 1.00 0.00 N ATOM 1403 CA ALA A 92 3.847 -4.005 5.511 1.00 0.00 C ATOM 1404 C ALA A 92 4.635 -4.727 6.630 1.00 0.00 C ATOM 1405 O ALA A 92 5.333 -5.705 6.357 1.00 0.00 O ATOM 1406 CB ALA A 92 4.712 -2.999 4.748 1.00 0.00 C ATOM 0 H ALA A 92 2.773 -2.317 6.152 1.00 0.00 H new ATOM 0 HA ALA A 92 3.534 -4.788 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.599 -3.501 4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.140 -2.583 3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.014 -2.196 5.420 1.00 0.00 H new ATOM 1412 N SER A 93 4.490 -4.281 7.886 1.00 0.00 N ATOM 1413 CA SER A 93 5.007 -4.939 9.095 1.00 0.00 C ATOM 1414 C SER A 93 4.229 -6.227 9.416 1.00 0.00 C ATOM 1415 O SER A 93 4.758 -7.322 9.236 1.00 0.00 O ATOM 1416 CB SER A 93 4.996 -3.950 10.275 1.00 0.00 C ATOM 1417 OG SER A 93 3.707 -3.381 10.449 1.00 0.00 O ATOM 0 H SER A 93 3.989 -3.417 8.096 1.00 0.00 H new ATOM 0 HA SER A 93 6.038 -5.241 8.913 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.297 -4.464 11.188 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.726 -3.160 10.099 1.00 0.00 H new ATOM 0 HG SER A 93 3.371 -3.600 11.343 1.00 0.00 H new ATOM 1423 N ALA A 94 2.968 -6.088 9.847 1.00 0.00 N ATOM 1424 CA ALA A 94 1.924 -7.100 10.097 1.00 0.00 C ATOM 1425 C ALA A 94 2.223 -8.273 11.070 1.00 0.00 C ATOM 1426 O ALA A 94 1.284 -8.845 11.628 1.00 0.00 O ATOM 1427 CB ALA A 94 1.379 -7.587 8.748 1.00 0.00 C ATOM 0 H ALA A 94 2.610 -5.155 10.054 1.00 0.00 H new ATOM 0 HA ALA A 94 1.173 -6.567 10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.606 -8.336 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.955 -6.745 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.189 -8.027 8.166 1.00 0.00 H new ATOM 1433 N HIS A 95 3.487 -8.619 11.334 1.00 0.00 N ATOM 1434 CA HIS A 95 3.898 -9.671 12.286 1.00 0.00 C ATOM 1435 C HIS A 95 3.854 -9.226 13.762 1.00 0.00 C ATOM 1436 O HIS A 95 4.062 -10.042 14.663 1.00 0.00 O ATOM 1437 CB HIS A 95 5.281 -10.210 11.890 1.00 0.00 C ATOM 1438 CG HIS A 95 5.259 -10.997 10.601 1.00 0.00 C ATOM 1439 ND1 HIS A 95 4.814 -12.317 10.465 1.00 0.00 N ATOM 1440 CD2 HIS A 95 5.648 -10.537 9.377 1.00 0.00 C ATOM 1441 CE1 HIS A 95 4.948 -12.619 9.162 1.00 0.00 C ATOM 1442 NE2 HIS A 95 5.446 -11.569 8.487 1.00 0.00 N ATOM 0 H HIS A 95 4.280 -8.165 10.881 1.00 0.00 H new ATOM 0 HA HIS A 95 3.164 -10.474 12.218 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.975 -9.376 11.788 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.661 -10.845 12.691 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.038 -9.556 9.150 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.692 -13.571 8.720 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.641 -11.541 7.486 1.00 0.00 H new ATOM 1450 N ASN A 96 3.559 -7.947 14.017 1.00 0.00 N ATOM 1451 CA ASN A 96 3.339 -7.354 15.338 1.00 0.00 C ATOM 1452 C ASN A 96 2.047 -6.506 15.340 1.00 0.00 C ATOM 1453 O ASN A 96 1.696 -5.895 14.324 1.00 0.00 O ATOM 1454 CB ASN A 96 4.590 -6.533 15.711 1.00 0.00 C ATOM 1455 CG ASN A 96 4.509 -5.893 17.089 1.00 0.00 C ATOM 1456 OD1 ASN A 96 3.802 -6.344 17.981 1.00 0.00 O ATOM 1457 ND2 ASN A 96 5.208 -4.806 17.305 1.00 0.00 N ATOM 0 H ASN A 96 3.462 -7.262 13.267 1.00 0.00 H new ATOM 0 HA ASN A 96 3.195 -8.128 16.092 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.465 -7.182 15.672 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.738 -5.752 14.965 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.161 -4.341 18.212 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.799 -4.425 16.566 1.00 0.00 H new ATOM 1464 N LYS A 97 1.347 -6.450 16.481 1.00 0.00 N ATOM 1465 CA LYS A 97 0.094 -5.697 16.670 1.00 0.00 C ATOM 1466 C LYS A 97 0.329 -4.184 16.766 1.00 0.00 C ATOM 1467 O LYS A 97 -0.343 -3.414 16.079 1.00 0.00 O ATOM 1468 CB LYS A 97 -0.629 -6.254 17.910 1.00 0.00 C ATOM 1469 CG LYS A 97 -2.015 -5.628 18.128 1.00 0.00 C ATOM 1470 CD LYS A 97 -2.707 -6.249 19.349 1.00 0.00 C ATOM 1471 CE LYS A 97 -4.086 -5.611 19.559 1.00 0.00 C ATOM 1472 NZ LYS A 97 -4.784 -6.192 20.736 1.00 0.00 N ATOM 0 H LYS A 97 1.643 -6.941 17.324 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.539 -5.832 15.793 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.736 -7.334 17.807 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.014 -6.078 18.792 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.915 -4.552 18.269 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.630 -5.777 17.241 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.814 -7.324 19.207 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.092 -6.104 20.237 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.973 -4.536 19.697 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.694 -5.756 18.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.713 -5.738 20.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.914 -7.214 20.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.215 -6.032 21.591 1.00 0.00 H new ATOM 1486 N ASN A 98 1.279 -3.762 17.606 1.00 0.00 N ATOM 1487 CA ASN A 98 1.634 -2.356 17.840 1.00 0.00 C ATOM 1488 C ASN A 98 3.057 -2.198 18.408 1.00 0.00 C ATOM 1489 O ASN A 98 3.606 -3.118 19.021 1.00 0.00 O ATOM 1490 CB ASN A 98 0.600 -1.713 18.793 1.00 0.00 C ATOM 1491 CG ASN A 98 0.622 -2.291 20.204 1.00 0.00 C ATOM 1492 OD1 ASN A 98 -0.052 -3.266 20.509 1.00 0.00 O ATOM 1493 ND2 ASN A 98 1.389 -1.721 21.105 1.00 0.00 N ATOM 0 H ASN A 98 1.841 -4.409 18.160 1.00 0.00 H new ATOM 0 HA ASN A 98 1.618 -1.845 16.878 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.787 -0.640 18.847 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.397 -1.842 18.373 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.421 -2.091 22.055 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.952 -0.908 20.855 1.00 0.00 H new ATOM 1500 N LEU A 99 3.635 -1.006 18.248 1.00 0.00 N ATOM 1501 CA LEU A 99 4.873 -0.597 18.923 1.00 0.00 C ATOM 1502 C LEU A 99 4.550 -0.106 20.351 1.00 0.00 C ATOM 1503 O LEU A 99 3.425 0.329 20.622 1.00 0.00 O ATOM 1504 CB LEU A 99 5.606 0.477 18.092 1.00 0.00 C ATOM 1505 CG LEU A 99 6.430 -0.059 16.902 1.00 0.00 C ATOM 1506 CD1 LEU A 99 5.591 -0.697 15.792 1.00 0.00 C ATOM 1507 CD2 LEU A 99 7.225 1.089 16.277 1.00 0.00 C ATOM 0 H LEU A 99 3.252 -0.285 17.637 1.00 0.00 H new ATOM 0 HA LEU A 99 5.544 -1.452 19.008 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.869 1.185 17.713 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.272 1.033 18.753 1.00 0.00 H new ATOM 0 HG LEU A 99 7.072 -0.836 17.316 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.247 -1.047 14.995 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.032 -1.540 16.198 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.896 0.041 15.392 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.808 0.713 15.436 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.538 1.859 15.926 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.897 1.515 17.022 1.00 0.00 H new ATOM 1519 N SER A 100 5.533 -0.165 21.253 1.00 0.00 N ATOM 1520 CA SER A 100 5.397 0.214 22.673 1.00 0.00 C ATOM 1521 C SER A 100 6.615 0.998 23.180 1.00 0.00 C ATOM 1522 O SER A 100 7.753 0.717 22.791 1.00 0.00 O ATOM 1523 CB SER A 100 5.203 -1.029 23.555 1.00 0.00 C ATOM 1524 OG SER A 100 3.999 -1.712 23.231 1.00 0.00 O ATOM 0 H SER A 100 6.472 -0.485 21.016 1.00 0.00 H new ATOM 0 HA SER A 100 4.519 0.856 22.740 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.051 -1.703 23.429 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.184 -0.733 24.604 1.00 0.00 H new ATOM 0 HG SER A 100 3.904 -2.499 23.807 1.00 0.00 H new ATOM 1530 N GLY A 101 6.381 1.967 24.071 1.00 0.00 N ATOM 1531 CA GLY A 101 7.430 2.739 24.753 1.00 0.00 C ATOM 1532 C GLY A 101 8.071 2.007 25.950 1.00 0.00 C ATOM 1533 O GLY A 101 7.611 0.925 26.338 1.00 0.00 O ATOM 0 H GLY A 101 5.438 2.244 24.345 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.210 2.988 24.033 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.005 3.681 25.101 1.00 0.00 H new ATOM 1537 N PRO A 102 9.126 2.585 26.557 1.00 0.00 N ATOM 1538 CA PRO A 102 9.782 2.041 27.750 1.00 0.00 C ATOM 1539 C PRO A 102 8.899 2.140 29.010 1.00 0.00 C ATOM 1540 O PRO A 102 7.969 2.949 29.083 1.00 0.00 O ATOM 1541 CB PRO A 102 11.078 2.847 27.894 1.00 0.00 C ATOM 1542 CG PRO A 102 10.707 4.207 27.304 1.00 0.00 C ATOM 1543 CD PRO A 102 9.760 3.837 26.162 1.00 0.00 C ATOM 0 HA PRO A 102 9.976 0.974 27.642 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.387 2.930 28.936 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.903 2.384 27.353 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.221 4.848 28.040 1.00 0.00 H new ATOM 0 HG3 PRO A 102 11.584 4.744 26.943 1.00 0.00 H new ATOM 0 HD2 PRO A 102 9.016 4.618 26.003 1.00 0.00 H new ATOM 0 HD3 PRO A 102 10.305 3.720 25.225 1.00 0.00 H new ATOM 1551 N SER A 103 9.211 1.325 30.023 1.00 0.00 N ATOM 1552 CA SER A 103 8.519 1.288 31.322 1.00 0.00 C ATOM 1553 C SER A 103 9.468 0.913 32.471 1.00 0.00 C ATOM 1554 O SER A 103 10.493 0.257 32.262 1.00 0.00 O ATOM 1555 CB SER A 103 7.351 0.293 31.256 1.00 0.00 C ATOM 1556 OG SER A 103 6.594 0.321 32.457 1.00 0.00 O ATOM 0 H SER A 103 9.975 0.651 29.963 1.00 0.00 H new ATOM 0 HA SER A 103 8.141 2.290 31.527 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.708 0.536 30.410 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.734 -0.713 31.086 1.00 0.00 H new ATOM 0 HG SER A 103 5.854 -0.319 32.393 1.00 0.00 H new ATOM 1562 N SER A 104 9.111 1.309 33.697 1.00 0.00 N ATOM 1563 CA SER A 104 9.795 0.911 34.939 1.00 0.00 C ATOM 1564 C SER A 104 9.414 -0.514 35.400 1.00 0.00 C ATOM 1565 O SER A 104 10.154 -1.143 36.163 1.00 0.00 O ATOM 1566 CB SER A 104 9.469 1.944 36.027 1.00 0.00 C ATOM 1567 OG SER A 104 10.330 1.811 37.147 1.00 0.00 O ATOM 0 H SER A 104 8.319 1.931 33.861 1.00 0.00 H new ATOM 0 HA SER A 104 10.868 0.887 34.749 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.560 2.949 35.615 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.434 1.823 36.346 1.00 0.00 H new ATOM 0 HG SER A 104 10.097 2.484 37.820 1.00 0.00 H new ATOM 1573 N GLY A 105 8.276 -1.044 34.920 1.00 0.00 N ATOM 1574 CA GLY A 105 7.760 -2.392 35.224 1.00 0.00 C ATOM 1575 C GLY A 105 8.583 -3.523 34.599 1.00 0.00 C ATOM 1576 O GLY A 105 8.762 -3.518 33.360 1.00 0.00 O ATOM 1577 OXT GLY A 105 9.014 -4.427 35.348 1.00 0.00 O ATOM 0 H GLY A 105 7.667 -0.527 34.286 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.736 -2.527 36.305 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.731 -2.466 34.871 1.00 0.00 H new TER 1581 GLY A 105