USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 967 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 107 HIS : no HD1:sc= 0.968 K(o=2.1,f=-0.89) USER MOD Set 1.2: A 111 ASN : amide:sc= 1.12 K(o=2.1,f=-0.89) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.81 K(o=1.7,f=1.2) USER MOD Set 2.2: A 62 THR OG1 : rot -85:sc= 0.925 USER MOD Single : A 5 THR OG1 : rot -40:sc=-0.00822 USER MOD Single : A 8 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -53:sc= 0.685 USER MOD Single : A 28 THR OG1 : rot -87:sc= 1.02 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 73:sc= 0.81 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 42 ASN : amide:sc= 0.282 K(o=0.28,f=-5.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.537 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 51 MET CE :methyl -175:sc= 0 (180deg=-0.0307) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 144:sc= -0.289 (180deg=-1.39) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.171 K(o=0.17,f=-1.4) USER MOD Single : A 99 TYR OH : rot -165:sc= 0.954 USER MOD Single : A 101 SER OG : rot -73:sc= 0.19 USER MOD Single : A 109 MET CE :methyl -167:sc= 0 (180deg=-0.161) USER MOD Single : A 110 THR OG1 : rot 7:sc= 0.177 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -72:sc= 0.304 USER MOD Single : A 124 MET CE :methyl -118:sc= -0.395 (180deg=-1.41) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 137 ASN : amide:sc= 0.0328 K(o=0.033,f=-3.5) USER MOD Single : A 138 TYR OH : rot 180:sc=-0.000372 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 144 MET CE :methyl -105:sc= 0 (180deg=-0.0493) USER MOD Single : A 145 MET CE :methyl 179:sc= -0.0646 (180deg=-0.0716) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.194 17.190 1.917 1.00 0.00 N ATOM 59 CA THR A 5 -13.509 17.983 0.769 1.00 0.00 C ATOM 60 C THR A 5 -14.568 17.492 -0.157 1.00 0.00 C ATOM 61 O THR A 5 -14.785 16.301 -0.375 1.00 0.00 O ATOM 62 CB THR A 5 -12.330 18.253 -0.118 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.762 17.008 -0.497 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.187 18.818 0.741 1.00 0.00 C ATOM 0 HA THR A 5 -13.881 18.868 1.285 1.00 0.00 H new ATOM 0 HB THR A 5 -12.661 18.892 -0.937 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.764 16.400 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.322 19.019 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.512 19.743 1.216 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.915 18.092 1.508 1.00 0.00 H new ATOM 72 N GLU A 6 -15.418 18.334 -0.771 1.00 0.00 N ATOM 73 CA GLU A 6 -16.502 17.973 -1.630 1.00 0.00 C ATOM 74 C GLU A 6 -16.155 17.001 -2.705 1.00 0.00 C ATOM 75 O GLU A 6 -16.917 16.078 -2.991 1.00 0.00 O ATOM 76 CB GLU A 6 -17.109 19.241 -2.255 1.00 0.00 C ATOM 77 CG GLU A 6 -17.627 20.224 -1.204 1.00 0.00 C ATOM 78 CD GLU A 6 -18.348 21.443 -1.763 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.342 21.318 -2.527 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.970 22.541 -1.275 1.00 0.00 O ATOM 0 H GLU A 6 -15.340 19.345 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.223 17.460 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.356 19.735 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.927 18.959 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.306 19.694 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.786 20.564 -0.600 1.00 0.00 H new ATOM 87 N GLU A 7 -15.037 17.257 -3.408 1.00 0.00 N ATOM 88 CA GLU A 7 -14.438 16.447 -4.423 1.00 0.00 C ATOM 89 C GLU A 7 -14.286 15.012 -4.055 1.00 0.00 C ATOM 90 O GLU A 7 -14.556 14.109 -4.846 1.00 0.00 O ATOM 91 CB GLU A 7 -13.073 17.010 -4.855 1.00 0.00 C ATOM 92 CG GLU A 7 -13.328 18.291 -5.653 1.00 0.00 C ATOM 93 CD GLU A 7 -12.042 19.069 -5.893 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.202 18.586 -6.699 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.872 20.156 -5.279 1.00 0.00 O ATOM 0 H GLU A 7 -14.504 18.112 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.141 16.485 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.453 17.220 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.534 16.282 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.785 18.039 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.039 18.919 -5.116 1.00 0.00 H new ATOM 102 N GLN A 8 -13.711 14.758 -2.866 1.00 0.00 N ATOM 103 CA GLN A 8 -13.585 13.446 -2.313 1.00 0.00 C ATOM 104 C GLN A 8 -14.955 12.877 -2.170 1.00 0.00 C ATOM 105 O GLN A 8 -15.240 11.722 -2.485 1.00 0.00 O ATOM 106 CB GLN A 8 -12.788 13.524 -1.000 1.00 0.00 C ATOM 107 CG GLN A 8 -11.356 13.992 -1.272 1.00 0.00 C ATOM 108 CD GLN A 8 -10.507 13.039 -2.100 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.349 13.067 -3.320 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.916 12.051 -1.377 1.00 0.00 N ATOM 0 H GLN A 8 -13.321 15.489 -2.271 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.023 12.772 -2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.277 14.212 -0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.773 12.547 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.397 14.954 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.858 14.159 -0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.039 12.016 -0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.350 11.344 -1.847 1.00 0.00 H new ATOM 119 N ILE A 9 -15.972 13.590 -1.656 1.00 0.00 N ATOM 120 CA ILE A 9 -17.271 13.064 -1.371 1.00 0.00 C ATOM 121 C ILE A 9 -18.019 12.892 -2.648 1.00 0.00 C ATOM 122 O ILE A 9 -18.848 11.996 -2.806 1.00 0.00 O ATOM 123 CB ILE A 9 -17.996 13.774 -0.266 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.150 13.765 1.018 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.401 13.198 -0.022 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.881 14.081 2.322 1.00 0.00 C ATOM 0 H ILE A 9 -15.885 14.580 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.166 12.071 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.141 14.808 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.689 12.782 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.341 14.486 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.884 13.746 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.996 13.293 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.321 12.146 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.176 14.043 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.318 15.078 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.671 13.348 2.483 1.00 0.00 H new ATOM 138 N ALA A 10 -17.732 13.684 -3.696 1.00 0.00 N ATOM 139 CA ALA A 10 -18.194 13.494 -5.036 1.00 0.00 C ATOM 140 C ALA A 10 -17.807 12.181 -5.625 1.00 0.00 C ATOM 141 O ALA A 10 -18.700 11.461 -6.070 1.00 0.00 O ATOM 142 CB ALA A 10 -17.809 14.717 -5.886 1.00 0.00 C ATOM 0 H ALA A 10 -17.140 14.509 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.282 13.433 -5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.160 14.575 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.269 15.612 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.725 14.832 -5.887 1.00 0.00 H new ATOM 148 N GLU A 11 -16.530 11.793 -5.461 1.00 0.00 N ATOM 149 CA GLU A 11 -15.956 10.579 -5.952 1.00 0.00 C ATOM 150 C GLU A 11 -16.377 9.394 -5.152 1.00 0.00 C ATOM 151 O GLU A 11 -16.706 8.350 -5.713 1.00 0.00 O ATOM 152 CB GLU A 11 -14.434 10.675 -5.757 1.00 0.00 C ATOM 153 CG GLU A 11 -13.764 11.777 -6.581 1.00 0.00 C ATOM 154 CD GLU A 11 -12.930 11.389 -7.794 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.554 10.938 -8.791 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.696 11.615 -7.910 1.00 0.00 O ATOM 0 H GLU A 11 -15.855 12.365 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.271 10.459 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.224 10.848 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.984 9.717 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.547 12.454 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.122 12.346 -5.909 1.00 0.00 H new ATOM 163 N PHE A 12 -16.484 9.506 -3.816 1.00 0.00 N ATOM 164 CA PHE A 12 -16.946 8.562 -2.846 1.00 0.00 C ATOM 165 C PHE A 12 -18.373 8.251 -3.145 1.00 0.00 C ATOM 166 O PHE A 12 -18.764 7.089 -3.054 1.00 0.00 O ATOM 167 CB PHE A 12 -16.731 9.043 -1.401 1.00 0.00 C ATOM 168 CG PHE A 12 -15.325 9.279 -0.968 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.227 8.661 -1.518 1.00 0.00 C ATOM 170 CD2 PHE A 12 -15.149 10.111 0.113 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.991 9.041 -1.049 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.912 10.387 0.646 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.797 9.885 0.018 1.00 0.00 C ATOM 0 H PHE A 12 -16.209 10.376 -3.361 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.355 7.649 -2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.287 9.971 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.173 8.307 -0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.331 7.909 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.019 10.567 0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.118 8.651 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.818 10.986 1.540 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.803 10.145 0.352 1.00 0.00 H new ATOM 183 N LYS A 13 -19.209 9.268 -3.423 1.00 0.00 N ATOM 184 CA LYS A 13 -20.591 9.052 -3.719 1.00 0.00 C ATOM 185 C LYS A 13 -20.850 8.517 -5.086 1.00 0.00 C ATOM 186 O LYS A 13 -21.748 7.710 -5.323 1.00 0.00 O ATOM 187 CB LYS A 13 -21.340 10.369 -3.461 1.00 0.00 C ATOM 188 CG LYS A 13 -22.839 10.280 -3.755 1.00 0.00 C ATOM 189 CD LYS A 13 -23.429 11.559 -3.156 1.00 0.00 C ATOM 190 CE LYS A 13 -23.540 11.591 -1.630 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.933 12.974 -1.280 1.00 0.00 N ATOM 0 H LYS A 13 -18.924 10.247 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.961 8.265 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.198 10.662 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.902 11.155 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.029 10.220 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.279 9.391 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.817 12.403 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.423 11.710 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.281 10.873 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.591 11.325 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.025 13.058 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.207 13.637 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.844 13.200 -1.728 1.00 0.00 H new ATOM 205 N GLU A 14 -19.990 8.880 -6.054 1.00 0.00 N ATOM 206 CA GLU A 14 -19.925 8.260 -7.341 1.00 0.00 C ATOM 207 C GLU A 14 -19.576 6.815 -7.243 1.00 0.00 C ATOM 208 O GLU A 14 -20.104 5.936 -7.921 1.00 0.00 O ATOM 209 CB GLU A 14 -19.035 9.074 -8.296 1.00 0.00 C ATOM 210 CG GLU A 14 -18.841 8.516 -9.707 1.00 0.00 C ATOM 211 CD GLU A 14 -18.263 9.477 -10.737 1.00 0.00 C ATOM 212 OE1 GLU A 14 -17.009 9.597 -10.780 1.00 0.00 O ATOM 213 OE2 GLU A 14 -19.074 10.113 -11.461 1.00 0.00 O ATOM 0 H GLU A 14 -19.314 9.634 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.919 8.269 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.457 10.075 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.053 9.181 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.186 7.647 -9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.806 8.163 -10.071 1.00 0.00 H new ATOM 220 N ALA A 15 -18.509 6.501 -6.486 1.00 0.00 N ATOM 221 CA ALA A 15 -17.995 5.182 -6.286 1.00 0.00 C ATOM 222 C ALA A 15 -18.952 4.257 -5.614 1.00 0.00 C ATOM 223 O ALA A 15 -18.934 3.045 -5.819 1.00 0.00 O ATOM 224 CB ALA A 15 -16.701 5.340 -5.470 1.00 0.00 C ATOM 0 H ALA A 15 -17.974 7.210 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.811 4.716 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.264 4.358 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.993 5.955 -6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.928 5.819 -4.518 1.00 0.00 H new ATOM 230 N PHE A 16 -19.746 4.813 -4.682 1.00 0.00 N ATOM 231 CA PHE A 16 -20.688 4.108 -3.868 1.00 0.00 C ATOM 232 C PHE A 16 -21.706 3.452 -4.735 1.00 0.00 C ATOM 233 O PHE A 16 -22.108 2.302 -4.564 1.00 0.00 O ATOM 234 CB PHE A 16 -21.376 5.017 -2.836 1.00 0.00 C ATOM 235 CG PHE A 16 -22.170 4.243 -1.840 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.464 3.893 -0.713 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.529 4.061 -1.945 1.00 0.00 C ATOM 238 CE1 PHE A 16 -22.151 3.229 0.276 1.00 0.00 C ATOM 239 CE2 PHE A 16 -24.181 3.400 -0.931 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.499 2.971 0.183 1.00 0.00 C ATOM 0 H PHE A 16 -19.729 5.814 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.135 3.355 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.622 5.608 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.031 5.719 -3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.415 4.129 -0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -24.071 4.429 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.615 2.900 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -25.242 3.215 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 16 -24.013 2.441 0.971 1.00 0.00 H new ATOM 250 N SER A 17 -22.288 4.177 -5.707 1.00 0.00 N ATOM 251 CA SER A 17 -23.439 3.636 -6.360 1.00 0.00 C ATOM 252 C SER A 17 -23.044 2.718 -7.465 1.00 0.00 C ATOM 253 O SER A 17 -23.893 1.947 -7.912 1.00 0.00 O ATOM 254 CB SER A 17 -24.324 4.718 -7.001 1.00 0.00 C ATOM 255 OG SER A 17 -23.463 5.683 -7.587 1.00 0.00 O ATOM 0 H SER A 17 -21.981 5.095 -6.030 1.00 0.00 H new ATOM 0 HA SER A 17 -23.991 3.116 -5.577 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.979 4.281 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.966 5.182 -6.252 1.00 0.00 H new ATOM 0 HG SER A 17 -23.999 6.388 -8.007 1.00 0.00 H new ATOM 261 N LEU A 18 -21.738 2.669 -7.781 1.00 0.00 N ATOM 262 CA LEU A 18 -21.221 1.533 -8.480 1.00 0.00 C ATOM 263 C LEU A 18 -21.030 0.310 -7.650 1.00 0.00 C ATOM 264 O LEU A 18 -21.221 -0.746 -8.250 1.00 0.00 O ATOM 265 CB LEU A 18 -19.866 1.871 -9.123 1.00 0.00 C ATOM 266 CG LEU A 18 -19.851 2.943 -10.225 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.412 3.248 -10.673 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.683 2.493 -11.437 1.00 0.00 C ATOM 0 H LEU A 18 -21.055 3.394 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.987 1.305 -9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.189 2.193 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.454 0.953 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.292 3.849 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.427 4.009 -11.453 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.835 3.612 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.952 2.340 -11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.658 3.268 -12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.268 1.569 -11.840 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.714 2.323 -11.127 1.00 0.00 H new ATOM 280 N PHE A 19 -20.742 0.390 -6.338 1.00 0.00 N ATOM 281 CA PHE A 19 -20.798 -0.769 -5.503 1.00 0.00 C ATOM 282 C PHE A 19 -22.171 -1.248 -5.176 1.00 0.00 C ATOM 283 O PHE A 19 -22.397 -2.450 -5.305 1.00 0.00 O ATOM 284 CB PHE A 19 -20.068 -0.442 -4.190 1.00 0.00 C ATOM 285 CG PHE A 19 -18.609 -0.725 -4.298 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.274 -2.052 -4.434 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.669 0.257 -4.095 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.925 -2.312 -4.387 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.331 -0.054 -4.170 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.933 -1.362 -4.315 1.00 0.00 C ATOM 0 H PHE A 19 -20.473 1.249 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.330 -1.576 -6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.220 0.608 -3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.496 -1.029 -3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.013 -2.829 -4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.979 1.268 -3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.619 -3.347 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.591 0.731 -4.115 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.889 -1.631 -4.370 1.00 0.00 H new ATOM 300 N ASP A 20 -23.152 -0.378 -4.880 1.00 0.00 N ATOM 301 CA ASP A 20 -24.514 -0.642 -4.532 1.00 0.00 C ATOM 302 C ASP A 20 -25.258 -0.905 -5.796 1.00 0.00 C ATOM 303 O ASP A 20 -25.645 0.005 -6.527 1.00 0.00 O ATOM 304 CB ASP A 20 -24.942 0.615 -3.757 1.00 0.00 C ATOM 305 CG ASP A 20 -26.114 0.361 -2.821 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.675 -0.763 -2.723 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.600 1.371 -2.244 1.00 0.00 O ATOM 0 H ASP A 20 -22.966 0.625 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.699 -1.517 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.095 0.986 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.212 1.398 -4.465 1.00 0.00 H new ATOM 312 N LYS A 21 -25.388 -2.210 -6.098 1.00 0.00 N ATOM 313 CA LYS A 21 -25.932 -2.782 -7.289 1.00 0.00 C ATOM 314 C LYS A 21 -27.410 -2.597 -7.351 1.00 0.00 C ATOM 315 O LYS A 21 -27.986 -2.100 -8.317 1.00 0.00 O ATOM 316 CB LYS A 21 -25.566 -4.272 -7.401 1.00 0.00 C ATOM 317 CG LYS A 21 -26.135 -4.903 -8.674 1.00 0.00 C ATOM 318 CD LYS A 21 -25.362 -6.079 -9.272 1.00 0.00 C ATOM 319 CE LYS A 21 -25.014 -7.241 -8.338 1.00 0.00 C ATOM 320 NZ LYS A 21 -23.787 -7.909 -8.825 1.00 0.00 N ATOM 0 H LYS A 21 -25.082 -2.930 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.492 -2.258 -8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.482 -4.381 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.945 -4.806 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.150 -5.238 -8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.209 -4.125 -9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.944 -6.477 -10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.432 -5.693 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -24.864 -6.874 -7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.839 -7.952 -8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.548 -8.699 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.947 -8.271 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.002 -7.227 -8.839 1.00 0.00 H new ATOM 334 N ASP A 22 -28.016 -2.945 -6.202 1.00 0.00 N ATOM 335 CA ASP A 22 -29.422 -2.715 -6.079 1.00 0.00 C ATOM 336 C ASP A 22 -29.739 -1.304 -5.719 1.00 0.00 C ATOM 337 O ASP A 22 -30.769 -0.683 -5.977 1.00 0.00 O ATOM 338 CB ASP A 22 -30.024 -3.713 -5.075 1.00 0.00 C ATOM 339 CG ASP A 22 -29.297 -4.023 -3.775 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.308 -3.322 -3.432 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.813 -4.955 -3.101 1.00 0.00 O ATOM 0 H ASP A 22 -27.560 -3.366 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.880 -2.881 -7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.016 -3.347 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.162 -4.657 -5.601 1.00 0.00 H new ATOM 346 N GLY A 23 -28.765 -0.581 -5.137 1.00 0.00 N ATOM 347 CA GLY A 23 -28.789 0.806 -4.794 1.00 0.00 C ATOM 348 C GLY A 23 -29.491 0.999 -3.494 1.00 0.00 C ATOM 349 O GLY A 23 -30.257 1.958 -3.414 1.00 0.00 O ATOM 0 H GLY A 23 -27.876 -1.012 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.771 1.190 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.293 1.374 -5.576 1.00 0.00 H new ATOM 353 N ASP A 24 -29.302 0.160 -2.459 1.00 0.00 N ATOM 354 CA ASP A 24 -30.193 0.138 -1.341 1.00 0.00 C ATOM 355 C ASP A 24 -29.797 1.207 -0.383 1.00 0.00 C ATOM 356 O ASP A 24 -30.682 1.671 0.335 1.00 0.00 O ATOM 357 CB ASP A 24 -30.316 -1.238 -0.664 1.00 0.00 C ATOM 358 CG ASP A 24 -29.142 -1.610 0.230 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.089 -2.128 -0.229 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.242 -1.417 1.471 1.00 0.00 O ATOM 0 H ASP A 24 -28.530 -0.504 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.197 0.338 -1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.229 -1.255 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.424 -2.000 -1.436 1.00 0.00 H new ATOM 365 N GLY A 25 -28.502 1.558 -0.291 1.00 0.00 N ATOM 366 CA GLY A 25 -28.028 2.345 0.805 1.00 0.00 C ATOM 367 C GLY A 25 -26.926 1.675 1.552 1.00 0.00 C ATOM 368 O GLY A 25 -26.209 2.310 2.324 1.00 0.00 O ATOM 0 H GLY A 25 -27.787 1.299 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.678 3.308 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.854 2.548 1.487 1.00 0.00 H new ATOM 372 N THR A 26 -26.597 0.401 1.276 1.00 0.00 N ATOM 373 CA THR A 26 -25.457 -0.287 1.795 1.00 0.00 C ATOM 374 C THR A 26 -24.762 -1.215 0.858 1.00 0.00 C ATOM 375 O THR A 26 -25.286 -1.679 -0.153 1.00 0.00 O ATOM 376 CB THR A 26 -25.739 -1.105 3.021 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.770 -2.047 2.765 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.243 -0.170 4.133 1.00 0.00 C ATOM 0 H THR A 26 -27.159 -0.181 0.655 1.00 0.00 H new ATOM 0 HA THR A 26 -24.812 0.565 2.012 1.00 0.00 H new ATOM 0 HB THR A 26 -24.824 -1.622 3.311 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.554 -1.584 2.403 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.452 -0.752 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.480 0.577 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.154 0.329 3.804 1.00 0.00 H new ATOM 386 N ILE A 27 -23.493 -1.567 1.132 1.00 0.00 N ATOM 387 CA ILE A 27 -22.577 -2.394 0.410 1.00 0.00 C ATOM 388 C ILE A 27 -22.470 -3.637 1.225 1.00 0.00 C ATOM 389 O ILE A 27 -22.067 -3.639 2.387 1.00 0.00 O ATOM 390 CB ILE A 27 -21.229 -1.856 0.031 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.319 -0.375 -0.373 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.659 -2.733 -1.097 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.965 0.293 -0.609 1.00 0.00 C ATOM 0 H ILE A 27 -23.052 -1.218 1.983 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.990 -2.523 -0.591 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.554 -1.896 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.915 -0.293 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.850 0.171 0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.678 -2.359 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.566 -3.761 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.329 -2.701 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.117 1.335 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.372 0.246 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.438 -0.225 -1.410 1.00 0.00 H new ATOM 405 N THR A 28 -22.734 -4.766 0.543 1.00 0.00 N ATOM 406 CA THR A 28 -22.704 -6.121 0.999 1.00 0.00 C ATOM 407 C THR A 28 -21.446 -6.808 0.592 1.00 0.00 C ATOM 408 O THR A 28 -20.653 -6.227 -0.147 1.00 0.00 O ATOM 409 CB THR A 28 -23.893 -6.951 0.616 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.970 -7.138 -0.789 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.161 -6.227 1.097 1.00 0.00 C ATOM 0 H THR A 28 -22.999 -4.719 -0.441 1.00 0.00 H new ATOM 0 HA THR A 28 -22.743 -6.035 2.085 1.00 0.00 H new ATOM 0 HB THR A 28 -23.798 -7.933 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.458 -6.390 -1.192 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.039 -6.814 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.122 -6.106 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.222 -5.247 0.624 1.00 0.00 H new ATOM 419 N THR A 29 -21.166 -8.024 1.094 1.00 0.00 N ATOM 420 CA THR A 29 -20.085 -8.899 0.759 1.00 0.00 C ATOM 421 C THR A 29 -20.042 -9.215 -0.696 1.00 0.00 C ATOM 422 O THR A 29 -18.962 -9.088 -1.272 1.00 0.00 O ATOM 423 CB THR A 29 -20.106 -10.156 1.577 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.400 -10.734 1.661 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.744 -9.766 3.020 1.00 0.00 C ATOM 0 H THR A 29 -21.763 -8.436 1.811 1.00 0.00 H new ATOM 0 HA THR A 29 -19.171 -8.358 1.002 1.00 0.00 H new ATOM 0 HB THR A 29 -19.421 -10.864 1.110 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.359 -11.550 2.202 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.748 -10.656 3.649 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.752 -9.314 3.037 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.475 -9.051 3.398 1.00 0.00 H new ATOM 433 N LYS A 30 -21.169 -9.580 -1.333 1.00 0.00 N ATOM 434 CA LYS A 30 -21.217 -9.929 -2.719 1.00 0.00 C ATOM 435 C LYS A 30 -20.977 -8.787 -3.645 1.00 0.00 C ATOM 436 O LYS A 30 -20.642 -8.864 -4.826 1.00 0.00 O ATOM 437 CB LYS A 30 -22.641 -10.369 -3.100 1.00 0.00 C ATOM 438 CG LYS A 30 -23.170 -11.674 -2.503 1.00 0.00 C ATOM 439 CD LYS A 30 -24.638 -11.914 -2.861 1.00 0.00 C ATOM 440 CE LYS A 30 -25.120 -13.360 -2.724 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.157 -13.812 -1.315 1.00 0.00 N ATOM 0 H LYS A 30 -22.076 -9.634 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.447 -10.693 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.325 -9.570 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.685 -10.456 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.568 -12.508 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.061 -11.647 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.257 -11.281 -2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.801 -11.591 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.116 -13.451 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.462 -14.015 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.490 -14.797 -1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.203 -13.752 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.805 -13.205 -0.773 1.00 0.00 H new ATOM 455 N GLU A 31 -21.308 -7.577 -3.161 1.00 0.00 N ATOM 456 CA GLU A 31 -21.241 -6.368 -3.923 1.00 0.00 C ATOM 457 C GLU A 31 -19.870 -5.783 -3.920 1.00 0.00 C ATOM 458 O GLU A 31 -19.349 -5.304 -4.926 1.00 0.00 O ATOM 459 CB GLU A 31 -22.173 -5.317 -3.297 1.00 0.00 C ATOM 460 CG GLU A 31 -23.612 -5.638 -3.704 1.00 0.00 C ATOM 461 CD GLU A 31 -24.470 -4.643 -2.936 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.574 -4.669 -1.680 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.148 -3.794 -3.574 1.00 0.00 O ATOM 0 H GLU A 31 -21.634 -7.435 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.530 -6.618 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.076 -5.324 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.898 -4.318 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.751 -5.531 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.875 -6.665 -3.449 1.00 0.00 H new ATOM 470 N LEU A 32 -19.227 -5.843 -2.741 1.00 0.00 N ATOM 471 CA LEU A 32 -17.799 -5.820 -2.677 1.00 0.00 C ATOM 472 C LEU A 32 -17.136 -6.831 -3.548 1.00 0.00 C ATOM 473 O LEU A 32 -16.411 -6.511 -4.489 1.00 0.00 O ATOM 474 CB LEU A 32 -17.284 -5.919 -1.231 1.00 0.00 C ATOM 475 CG LEU A 32 -17.329 -4.621 -0.407 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.443 -4.907 0.817 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.671 -3.345 -0.957 1.00 0.00 C ATOM 0 H LEU A 32 -19.693 -5.907 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.518 -4.845 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.869 -6.677 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.254 -6.273 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.395 -4.415 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.419 -4.029 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.850 -5.753 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.431 -5.142 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.801 -2.532 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.607 -3.523 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.137 -3.074 -1.904 1.00 0.00 H new ATOM 489 N GLY A 33 -17.389 -8.135 -3.334 1.00 0.00 N ATOM 490 CA GLY A 33 -16.786 -9.213 -4.054 1.00 0.00 C ATOM 491 C GLY A 33 -16.893 -9.191 -5.540 1.00 0.00 C ATOM 492 O GLY A 33 -15.830 -9.283 -6.152 1.00 0.00 O ATOM 0 H GLY A 33 -18.047 -8.453 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.728 -9.242 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.228 -10.144 -3.698 1.00 0.00 H new ATOM 496 N THR A 34 -18.050 -8.953 -6.185 1.00 0.00 N ATOM 497 CA THR A 34 -18.327 -8.993 -7.587 1.00 0.00 C ATOM 498 C THR A 34 -17.539 -8.012 -8.386 1.00 0.00 C ATOM 499 O THR A 34 -16.905 -8.343 -9.387 1.00 0.00 O ATOM 500 CB THR A 34 -19.757 -8.935 -8.034 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.550 -9.958 -7.450 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.054 -9.012 -9.542 1.00 0.00 C ATOM 0 H THR A 34 -18.887 -8.704 -5.658 1.00 0.00 H new ATOM 0 HA THR A 34 -18.002 -10.013 -7.793 1.00 0.00 H new ATOM 0 HB THR A 34 -20.008 -7.929 -7.698 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.699 -9.756 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.130 -8.957 -9.704 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.568 -8.180 -10.052 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.674 -9.953 -9.940 1.00 0.00 H new ATOM 510 N VAL A 35 -17.309 -6.814 -7.821 1.00 0.00 N ATOM 511 CA VAL A 35 -16.460 -5.813 -8.389 1.00 0.00 C ATOM 512 C VAL A 35 -15.028 -6.088 -8.084 1.00 0.00 C ATOM 513 O VAL A 35 -14.216 -5.881 -8.985 1.00 0.00 O ATOM 514 CB VAL A 35 -16.956 -4.461 -7.969 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.975 -3.292 -8.156 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.247 -4.180 -8.755 1.00 0.00 C ATOM 0 H VAL A 35 -17.730 -6.531 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.506 -5.834 -9.478 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.108 -4.510 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.443 -2.367 -7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.073 -3.477 -7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.713 -3.202 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.638 -3.202 -8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.032 -4.192 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.987 -4.946 -8.525 1.00 0.00 H new ATOM 526 N MET A 36 -14.585 -6.552 -6.902 1.00 0.00 N ATOM 527 CA MET A 36 -13.215 -6.946 -6.787 1.00 0.00 C ATOM 528 C MET A 36 -12.841 -7.981 -7.792 1.00 0.00 C ATOM 529 O MET A 36 -11.730 -7.889 -8.312 1.00 0.00 O ATOM 530 CB MET A 36 -12.780 -7.285 -5.352 1.00 0.00 C ATOM 531 CG MET A 36 -12.892 -6.201 -4.278 1.00 0.00 C ATOM 532 SD MET A 36 -12.532 -6.878 -2.630 1.00 0.00 S ATOM 533 CE MET A 36 -12.939 -5.351 -1.735 1.00 0.00 C ATOM 0 H MET A 36 -15.148 -6.652 -6.057 1.00 0.00 H new ATOM 0 HA MET A 36 -12.628 -6.061 -7.034 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.368 -8.141 -5.021 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.740 -7.608 -5.389 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.199 -5.390 -4.501 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.895 -5.775 -4.289 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.796 -5.507 -0.666 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.288 -4.546 -2.075 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.978 -5.083 -1.926 1.00 0.00 H new ATOM 543 N ARG A 37 -13.709 -8.907 -8.238 1.00 0.00 N ATOM 544 CA ARG A 37 -13.355 -9.834 -9.267 1.00 0.00 C ATOM 545 C ARG A 37 -12.961 -9.234 -10.573 1.00 0.00 C ATOM 546 O ARG A 37 -11.943 -9.505 -11.207 1.00 0.00 O ATOM 547 CB ARG A 37 -14.415 -10.914 -9.543 1.00 0.00 C ATOM 548 CG ARG A 37 -14.671 -11.759 -8.294 1.00 0.00 C ATOM 549 CD ARG A 37 -13.423 -12.503 -7.815 1.00 0.00 C ATOM 550 NE ARG A 37 -14.006 -13.304 -6.702 1.00 0.00 N ATOM 551 CZ ARG A 37 -13.424 -14.432 -6.200 1.00 0.00 C ATOM 552 NH1 ARG A 37 -12.396 -15.143 -6.749 1.00 0.00 N ATOM 553 NH2 ARG A 37 -13.989 -15.004 -5.097 1.00 0.00 N ATOM 0 H ARG A 37 -14.660 -9.013 -7.884 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.471 -10.293 -8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.344 -10.444 -9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.083 -11.555 -10.359 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.034 -11.115 -7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.460 -12.481 -8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.987 -13.129 -8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.640 -11.826 -7.474 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.887 -12.993 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.981 -14.841 -7.630 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.043 -15.976 -6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.819 -14.588 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.581 -15.848 -4.695 1.00 0.00 H new ATOM 567 N SER A 38 -13.791 -8.285 -11.041 1.00 0.00 N ATOM 568 CA SER A 38 -13.511 -7.458 -12.174 1.00 0.00 C ATOM 569 C SER A 38 -12.323 -6.564 -12.071 1.00 0.00 C ATOM 570 O SER A 38 -11.891 -5.924 -13.028 1.00 0.00 O ATOM 571 CB SER A 38 -14.703 -6.637 -12.692 1.00 0.00 C ATOM 572 OG SER A 38 -15.917 -7.374 -12.687 1.00 0.00 O ATOM 0 H SER A 38 -14.695 -8.085 -10.612 1.00 0.00 H new ATOM 0 HA SER A 38 -13.269 -8.231 -12.903 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.821 -5.746 -12.076 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.492 -6.298 -13.706 1.00 0.00 H new ATOM 0 HG SER A 38 -16.644 -6.809 -13.023 1.00 0.00 H new ATOM 578 N LEU A 39 -11.788 -6.349 -10.856 1.00 0.00 N ATOM 579 CA LEU A 39 -10.514 -5.713 -10.718 1.00 0.00 C ATOM 580 C LEU A 39 -9.372 -6.666 -10.630 1.00 0.00 C ATOM 581 O LEU A 39 -8.237 -6.337 -10.288 1.00 0.00 O ATOM 582 CB LEU A 39 -10.438 -4.878 -9.430 1.00 0.00 C ATOM 583 CG LEU A 39 -11.442 -3.729 -9.231 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.251 -3.142 -7.822 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.262 -2.633 -10.295 1.00 0.00 C ATOM 0 H LEU A 39 -12.232 -6.612 -9.976 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.430 -5.105 -11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.547 -5.561 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.435 -4.454 -9.370 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.453 -4.122 -9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.957 -2.326 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.426 -3.919 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.233 -2.765 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.987 -1.837 -10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.253 -2.225 -10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.418 -3.059 -11.286 1.00 0.00 H new ATOM 597 N GLY A 40 -9.608 -7.959 -10.916 1.00 0.00 N ATOM 598 CA GLY A 40 -8.698 -9.055 -11.036 1.00 0.00 C ATOM 599 C GLY A 40 -8.226 -9.639 -9.749 1.00 0.00 C ATOM 600 O GLY A 40 -7.258 -10.397 -9.709 1.00 0.00 O ATOM 0 H GLY A 40 -10.564 -8.271 -11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.178 -9.842 -11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.829 -8.723 -11.605 1.00 0.00 H new ATOM 604 N GLN A 41 -8.834 -9.245 -8.616 1.00 0.00 N ATOM 605 CA GLN A 41 -8.600 -9.817 -7.326 1.00 0.00 C ATOM 606 C GLN A 41 -9.375 -11.085 -7.205 1.00 0.00 C ATOM 607 O GLN A 41 -10.251 -11.377 -8.017 1.00 0.00 O ATOM 608 CB GLN A 41 -9.111 -8.818 -6.275 1.00 0.00 C ATOM 609 CG GLN A 41 -8.583 -7.382 -6.266 1.00 0.00 C ATOM 610 CD GLN A 41 -7.090 -7.448 -5.980 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.497 -8.386 -5.448 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.434 -6.310 -6.333 1.00 0.00 N ATOM 0 H GLN A 41 -9.522 -8.492 -8.599 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.540 -10.025 -7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.195 -8.765 -6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.905 -9.246 -5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.769 -6.899 -7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.094 -6.790 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.943 -5.543 -6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.433 -6.223 -6.158 1.00 0.00 H new ATOM 621 N ASN A 42 -9.074 -11.897 -6.176 1.00 0.00 N ATOM 622 CA ASN A 42 -9.655 -13.173 -5.896 1.00 0.00 C ATOM 623 C ASN A 42 -9.870 -13.300 -4.427 1.00 0.00 C ATOM 624 O ASN A 42 -9.060 -14.046 -3.880 1.00 0.00 O ATOM 625 CB ASN A 42 -8.841 -14.328 -6.503 1.00 0.00 C ATOM 626 CG ASN A 42 -9.028 -14.340 -8.013 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.126 -14.507 -8.542 1.00 0.00 O ATOM 628 ND2 ASN A 42 -7.948 -14.126 -8.812 1.00 0.00 N ATOM 0 H ASN A 42 -8.368 -11.639 -5.486 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.628 -13.242 -6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.785 -14.212 -6.257 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.165 -15.278 -6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.059 -14.107 -9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.027 -13.985 -8.397 1.00 0.00 H new ATOM 635 N PRO A 43 -10.770 -12.768 -3.655 1.00 0.00 N ATOM 636 CA PRO A 43 -11.104 -13.186 -2.324 1.00 0.00 C ATOM 637 C PRO A 43 -11.595 -14.580 -2.134 1.00 0.00 C ATOM 638 O PRO A 43 -11.951 -15.314 -3.055 1.00 0.00 O ATOM 639 CB PRO A 43 -12.034 -12.081 -1.827 1.00 0.00 C ATOM 640 CG PRO A 43 -12.619 -11.404 -3.077 1.00 0.00 C ATOM 641 CD PRO A 43 -11.371 -11.481 -3.972 1.00 0.00 C ATOM 0 HA PRO A 43 -10.204 -13.287 -1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.827 -12.493 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.489 -11.362 -1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.472 -11.942 -3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.946 -10.381 -2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.636 -11.416 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.684 -10.661 -3.765 1.00 0.00 H new ATOM 649 N THR A 44 -11.674 -15.041 -0.873 1.00 0.00 N ATOM 650 CA THR A 44 -12.658 -16.009 -0.503 1.00 0.00 C ATOM 651 C THR A 44 -13.779 -15.309 0.186 1.00 0.00 C ATOM 652 O THR A 44 -13.793 -14.101 0.416 1.00 0.00 O ATOM 653 CB THR A 44 -12.142 -17.026 0.472 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.685 -16.450 1.687 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.004 -17.871 -0.125 1.00 0.00 C ATOM 0 H THR A 44 -11.060 -14.745 -0.114 1.00 0.00 H new ATOM 0 HA THR A 44 -12.960 -16.514 -1.421 1.00 0.00 H new ATOM 0 HB THR A 44 -12.999 -17.663 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.363 -17.158 2.284 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.661 -18.594 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.367 -18.399 -1.007 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.177 -17.220 -0.407 1.00 0.00 H new ATOM 663 N GLU A 45 -14.881 -16.015 0.498 1.00 0.00 N ATOM 664 CA GLU A 45 -16.056 -15.641 1.222 1.00 0.00 C ATOM 665 C GLU A 45 -15.769 -15.324 2.649 1.00 0.00 C ATOM 666 O GLU A 45 -16.305 -14.392 3.246 1.00 0.00 O ATOM 667 CB GLU A 45 -17.040 -16.821 1.151 1.00 0.00 C ATOM 668 CG GLU A 45 -17.594 -17.064 -0.255 1.00 0.00 C ATOM 669 CD GLU A 45 -18.609 -16.056 -0.775 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.722 -16.012 -0.187 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.426 -15.342 -1.796 1.00 0.00 O ATOM 0 H GLU A 45 -14.951 -16.987 0.196 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.471 -14.738 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.538 -17.725 1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.869 -16.635 1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.755 -17.092 -0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.056 -18.051 -0.273 1.00 0.00 H new ATOM 678 N ALA A 46 -14.883 -16.167 3.209 1.00 0.00 N ATOM 679 CA ALA A 46 -14.401 -16.135 4.555 1.00 0.00 C ATOM 680 C ALA A 46 -13.527 -14.937 4.696 1.00 0.00 C ATOM 681 O ALA A 46 -13.717 -14.286 5.723 1.00 0.00 O ATOM 682 CB ALA A 46 -13.458 -17.331 4.771 1.00 0.00 C ATOM 0 H ALA A 46 -14.471 -16.933 2.675 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.244 -16.139 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.083 -17.318 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.002 -18.259 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.620 -17.264 4.077 1.00 0.00 H new ATOM 688 N GLU A 47 -12.648 -14.528 3.764 1.00 0.00 N ATOM 689 CA GLU A 47 -12.021 -13.242 3.758 1.00 0.00 C ATOM 690 C GLU A 47 -12.929 -12.063 3.684 1.00 0.00 C ATOM 691 O GLU A 47 -12.825 -11.068 4.400 1.00 0.00 O ATOM 692 CB GLU A 47 -11.044 -13.081 2.581 1.00 0.00 C ATOM 693 CG GLU A 47 -9.708 -13.805 2.763 1.00 0.00 C ATOM 694 CD GLU A 47 -8.691 -13.853 1.632 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.115 -13.789 0.447 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.495 -14.016 1.995 1.00 0.00 O ATOM 0 H GLU A 47 -12.362 -15.117 2.982 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.527 -13.239 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.523 -13.451 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.850 -12.019 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.212 -13.352 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.936 -14.836 3.034 1.00 0.00 H new ATOM 703 N LEU A 48 -13.994 -12.107 2.864 1.00 0.00 N ATOM 704 CA LEU A 48 -15.081 -11.179 2.915 1.00 0.00 C ATOM 705 C LEU A 48 -15.722 -10.999 4.248 1.00 0.00 C ATOM 706 O LEU A 48 -15.772 -9.892 4.783 1.00 0.00 O ATOM 707 CB LEU A 48 -16.066 -11.493 1.777 1.00 0.00 C ATOM 708 CG LEU A 48 -15.447 -11.289 0.384 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.306 -12.027 -0.656 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.585 -9.811 -0.019 1.00 0.00 C ATOM 0 H LEU A 48 -14.102 -12.815 2.138 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.660 -10.187 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.407 -12.524 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.945 -10.856 1.876 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.413 -11.632 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.875 -11.889 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.333 -13.090 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.319 -11.626 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.148 -9.661 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.640 -9.538 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.065 -9.186 0.707 1.00 0.00 H new ATOM 722 N GLN A 49 -16.113 -12.153 4.817 1.00 0.00 N ATOM 723 CA GLN A 49 -16.615 -12.218 6.154 1.00 0.00 C ATOM 724 C GLN A 49 -15.722 -11.667 7.212 1.00 0.00 C ATOM 725 O GLN A 49 -16.185 -11.101 8.201 1.00 0.00 O ATOM 726 CB GLN A 49 -17.214 -13.557 6.614 1.00 0.00 C ATOM 727 CG GLN A 49 -18.379 -14.162 5.826 1.00 0.00 C ATOM 728 CD GLN A 49 -18.806 -15.425 6.559 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.053 -16.389 6.690 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.049 -15.471 7.109 1.00 0.00 N ATOM 0 H GLN A 49 -16.080 -13.055 4.342 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.456 -11.534 6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.408 -14.291 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.545 -13.432 7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.207 -13.456 5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.075 -14.393 4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.682 -14.677 7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.349 -16.299 7.624 1.00 0.00 H new ATOM 739 N ASP A 50 -14.387 -11.764 7.081 1.00 0.00 N ATOM 740 CA ASP A 50 -13.542 -11.312 8.141 1.00 0.00 C ATOM 741 C ASP A 50 -13.458 -9.825 8.090 1.00 0.00 C ATOM 742 O ASP A 50 -13.646 -9.205 9.136 1.00 0.00 O ATOM 743 CB ASP A 50 -12.157 -11.929 7.882 1.00 0.00 C ATOM 744 CG ASP A 50 -11.154 -11.840 9.023 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.814 -10.708 9.460 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.673 -12.910 9.483 1.00 0.00 O ATOM 0 H ASP A 50 -13.904 -12.144 6.267 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.921 -11.603 9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.293 -12.980 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.724 -11.443 7.008 1.00 0.00 H new ATOM 751 N MET A 51 -13.285 -9.288 6.869 1.00 0.00 N ATOM 752 CA MET A 51 -13.213 -7.879 6.636 1.00 0.00 C ATOM 753 C MET A 51 -14.476 -7.161 6.968 1.00 0.00 C ATOM 754 O MET A 51 -14.471 -6.085 7.563 1.00 0.00 O ATOM 755 CB MET A 51 -12.791 -7.505 5.205 1.00 0.00 C ATOM 756 CG MET A 51 -11.408 -8.011 4.792 1.00 0.00 C ATOM 757 SD MET A 51 -10.779 -7.608 3.134 1.00 0.00 S ATOM 758 CE MET A 51 -12.045 -8.371 2.078 1.00 0.00 C ATOM 0 H MET A 51 -13.193 -9.848 6.022 1.00 0.00 H new ATOM 0 HA MET A 51 -12.430 -7.552 7.320 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.530 -7.900 4.508 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.809 -6.420 5.108 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.689 -7.631 5.518 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.413 -9.097 4.887 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.748 -8.283 1.033 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.149 -9.424 2.338 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.998 -7.864 2.228 1.00 0.00 H new ATOM 768 N ILE A 52 -15.605 -7.868 6.783 1.00 0.00 N ATOM 769 CA ILE A 52 -16.937 -7.455 7.099 1.00 0.00 C ATOM 770 C ILE A 52 -17.168 -7.395 8.570 1.00 0.00 C ATOM 771 O ILE A 52 -17.964 -6.566 9.008 1.00 0.00 O ATOM 772 CB ILE A 52 -18.008 -8.200 6.360 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.931 -7.342 5.479 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.769 -9.184 7.264 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.169 -6.813 4.265 1.00 0.00 C ATOM 0 H ILE A 52 -15.583 -8.805 6.379 1.00 0.00 H new ATOM 0 HA ILE A 52 -17.022 -6.435 6.725 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.461 -8.796 5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -19.785 -7.935 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.326 -6.508 6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.533 -9.698 6.681 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.072 -9.915 7.673 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.242 -8.637 8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.837 -6.208 3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.330 -6.202 4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.796 -7.651 3.676 1.00 0.00 H new ATOM 787 N ASN A 53 -16.379 -8.155 9.350 1.00 0.00 N ATOM 788 CA ASN A 53 -16.386 -7.977 10.769 1.00 0.00 C ATOM 789 C ASN A 53 -15.456 -6.907 11.227 1.00 0.00 C ATOM 790 O ASN A 53 -15.704 -6.218 12.216 1.00 0.00 O ATOM 791 CB ASN A 53 -15.862 -9.323 11.297 1.00 0.00 C ATOM 792 CG ASN A 53 -15.828 -9.429 12.815 1.00 0.00 C ATOM 793 OD1 ASN A 53 -16.775 -9.075 13.515 1.00 0.00 O ATOM 794 ND2 ASN A 53 -14.690 -9.898 13.393 1.00 0.00 N ATOM 0 H ASN A 53 -15.748 -8.879 9.007 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.378 -7.689 11.118 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.488 -10.123 10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.856 -9.485 10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.621 -9.957 14.409 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.906 -10.191 12.811 1.00 0.00 H new ATOM 801 N GLU A 54 -14.343 -6.705 10.500 1.00 0.00 N ATOM 802 CA GLU A 54 -13.438 -5.653 10.845 1.00 0.00 C ATOM 803 C GLU A 54 -13.795 -4.213 10.707 1.00 0.00 C ATOM 804 O GLU A 54 -13.530 -3.419 11.608 1.00 0.00 O ATOM 805 CB GLU A 54 -12.115 -5.715 10.063 1.00 0.00 C ATOM 806 CG GLU A 54 -11.245 -6.942 10.344 1.00 0.00 C ATOM 807 CD GLU A 54 -9.854 -6.753 9.758 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.749 -6.344 8.571 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.839 -6.896 10.492 1.00 0.00 O ATOM 0 H GLU A 54 -14.072 -7.259 9.687 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.422 -5.893 11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.341 -5.687 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.536 -4.820 10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.174 -7.107 11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.709 -7.830 9.916 1.00 0.00 H new ATOM 816 N VAL A 55 -14.359 -3.848 9.542 1.00 0.00 N ATOM 817 CA VAL A 55 -14.751 -2.495 9.294 1.00 0.00 C ATOM 818 C VAL A 55 -16.092 -2.050 9.767 1.00 0.00 C ATOM 819 O VAL A 55 -16.374 -0.853 9.786 1.00 0.00 O ATOM 820 CB VAL A 55 -14.720 -2.243 7.816 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.420 -2.831 7.241 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.858 -2.936 7.049 1.00 0.00 C ATOM 0 H VAL A 55 -14.544 -4.490 8.771 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.031 -1.925 9.882 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.811 -1.164 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.385 -2.654 6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.563 -2.353 7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.389 -3.903 7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.772 -2.709 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.792 -4.014 7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.818 -2.577 7.420 1.00 0.00 H new ATOM 832 N ASP A 56 -16.904 -2.985 10.293 1.00 0.00 N ATOM 833 CA ASP A 56 -18.236 -2.632 10.676 1.00 0.00 C ATOM 834 C ASP A 56 -18.436 -2.089 12.049 1.00 0.00 C ATOM 835 O ASP A 56 -18.478 -2.830 13.030 1.00 0.00 O ATOM 836 CB ASP A 56 -19.255 -3.665 10.168 1.00 0.00 C ATOM 837 CG ASP A 56 -20.687 -3.151 10.145 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.886 -1.959 10.505 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.632 -3.864 9.713 1.00 0.00 O ATOM 0 H ASP A 56 -16.648 -3.960 10.450 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.459 -1.710 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.974 -3.975 9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.207 -4.551 10.800 1.00 0.00 H new ATOM 844 N ALA A 57 -18.496 -0.755 12.212 1.00 0.00 N ATOM 845 CA ALA A 57 -18.765 -0.085 13.446 1.00 0.00 C ATOM 846 C ALA A 57 -20.133 -0.265 14.007 1.00 0.00 C ATOM 847 O ALA A 57 -20.380 0.036 15.174 1.00 0.00 O ATOM 848 CB ALA A 57 -18.357 1.382 13.231 1.00 0.00 C ATOM 0 H ALA A 57 -18.348 -0.108 11.438 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.176 -0.546 14.239 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.540 1.948 14.144 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.298 1.432 12.979 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.944 1.807 12.417 1.00 0.00 H new ATOM 854 N ASP A 58 -21.094 -0.823 13.249 1.00 0.00 N ATOM 855 CA ASP A 58 -22.414 -1.236 13.611 1.00 0.00 C ATOM 856 C ASP A 58 -22.391 -2.650 14.079 1.00 0.00 C ATOM 857 O ASP A 58 -23.299 -3.079 14.788 1.00 0.00 O ATOM 858 CB ASP A 58 -23.421 -1.215 12.449 1.00 0.00 C ATOM 859 CG ASP A 58 -23.445 0.214 11.926 1.00 0.00 C ATOM 860 OD1 ASP A 58 -24.026 1.076 12.637 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.950 0.425 10.786 1.00 0.00 O ATOM 0 H ASP A 58 -20.919 -1.005 12.261 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.726 -0.524 14.375 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.123 -1.911 11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -24.411 -1.521 12.787 1.00 0.00 H new ATOM 866 N GLY A 59 -21.335 -3.446 13.831 1.00 0.00 N ATOM 867 CA GLY A 59 -21.270 -4.814 14.243 1.00 0.00 C ATOM 868 C GLY A 59 -22.077 -5.843 13.529 1.00 0.00 C ATOM 869 O GLY A 59 -22.361 -6.874 14.135 1.00 0.00 O ATOM 0 H GLY A 59 -20.504 -3.130 13.331 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.226 -5.122 14.184 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.554 -4.850 15.295 1.00 0.00 H new ATOM 873 N ASN A 60 -22.559 -5.484 12.325 1.00 0.00 N ATOM 874 CA ASN A 60 -23.642 -5.965 11.525 1.00 0.00 C ATOM 875 C ASN A 60 -23.222 -6.862 10.411 1.00 0.00 C ATOM 876 O ASN A 60 -23.570 -8.035 10.290 1.00 0.00 O ATOM 877 CB ASN A 60 -24.656 -4.864 11.171 1.00 0.00 C ATOM 878 CG ASN A 60 -25.900 -5.403 10.480 1.00 0.00 C ATOM 879 OD1 ASN A 60 -26.019 -5.250 9.265 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.821 -6.130 11.167 1.00 0.00 N ATOM 0 H ASN A 60 -22.099 -4.718 11.833 1.00 0.00 H new ATOM 0 HA ASN A 60 -24.215 -6.645 12.156 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -24.950 -4.342 12.081 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -24.176 -4.130 10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -27.610 -6.549 10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.722 -6.257 12.174 1.00 0.00 H new ATOM 887 N GLY A 61 -22.365 -6.370 9.499 1.00 0.00 N ATOM 888 CA GLY A 61 -21.818 -6.934 8.304 1.00 0.00 C ATOM 889 C GLY A 61 -22.301 -6.219 7.090 1.00 0.00 C ATOM 890 O GLY A 61 -22.341 -6.847 6.033 1.00 0.00 O ATOM 0 H GLY A 61 -22.003 -5.425 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.730 -6.889 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.091 -7.987 8.240 1.00 0.00 H new ATOM 894 N THR A 62 -22.733 -4.955 7.249 1.00 0.00 N ATOM 895 CA THR A 62 -23.174 -4.060 6.225 1.00 0.00 C ATOM 896 C THR A 62 -22.300 -2.853 6.202 1.00 0.00 C ATOM 897 O THR A 62 -22.120 -2.159 7.201 1.00 0.00 O ATOM 898 CB THR A 62 -24.644 -3.768 6.183 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.206 -3.281 7.393 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.445 -4.998 5.724 1.00 0.00 C ATOM 0 H THR A 62 -22.777 -4.525 8.173 1.00 0.00 H new ATOM 0 HA THR A 62 -23.054 -4.591 5.281 1.00 0.00 H new ATOM 0 HB THR A 62 -24.724 -2.957 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.439 -4.036 7.973 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.507 -4.754 5.704 1.00 0.00 H new ATOM 0 HG22 THR A 62 -25.121 -5.291 4.725 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.275 -5.822 6.417 1.00 0.00 H new ATOM 908 N ILE A 63 -21.710 -2.457 5.060 1.00 0.00 N ATOM 909 CA ILE A 63 -20.859 -1.320 4.892 1.00 0.00 C ATOM 910 C ILE A 63 -21.620 -0.137 4.401 1.00 0.00 C ATOM 911 O ILE A 63 -22.270 -0.262 3.365 1.00 0.00 O ATOM 912 CB ILE A 63 -19.740 -1.701 3.968 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.792 -2.729 4.608 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.035 -0.401 3.546 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.604 -3.222 3.783 1.00 0.00 C ATOM 0 H ILE A 63 -21.839 -2.972 4.189 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.441 -1.024 5.854 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.125 -2.205 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.402 -2.295 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.385 -3.598 4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.212 -0.636 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.746 0.250 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.646 0.105 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.029 -3.941 4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.966 -3.700 2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.968 -2.377 3.520 1.00 0.00 H new ATOM 927 N ASP A 64 -21.611 1.037 5.059 1.00 0.00 N ATOM 928 CA ASP A 64 -22.594 2.024 4.736 1.00 0.00 C ATOM 929 C ASP A 64 -21.860 3.255 4.329 1.00 0.00 C ATOM 930 O ASP A 64 -20.631 3.236 4.380 1.00 0.00 O ATOM 931 CB ASP A 64 -23.661 2.237 5.823 1.00 0.00 C ATOM 932 CG ASP A 64 -23.041 2.404 7.203 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.356 1.486 7.728 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.218 3.503 7.795 1.00 0.00 O ATOM 0 H ASP A 64 -20.948 1.297 5.789 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.207 1.678 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.253 3.120 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.344 1.388 5.832 1.00 0.00 H new ATOM 939 N PHE A 65 -22.505 4.369 3.938 1.00 0.00 N ATOM 940 CA PHE A 65 -21.866 5.555 3.457 1.00 0.00 C ATOM 941 C PHE A 65 -20.817 6.206 4.291 1.00 0.00 C ATOM 942 O PHE A 65 -19.720 6.343 3.753 1.00 0.00 O ATOM 943 CB PHE A 65 -22.827 6.556 2.794 1.00 0.00 C ATOM 944 CG PHE A 65 -22.072 7.630 2.090 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.763 7.300 0.791 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.683 8.829 2.637 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.948 8.165 0.100 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.940 9.699 1.873 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.521 9.371 0.605 1.00 0.00 C ATOM 0 H PHE A 65 -23.522 4.446 3.958 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.247 5.119 2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.471 6.034 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.477 6.998 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -22.145 6.399 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.956 9.084 3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.626 7.883 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.679 10.665 2.280 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.886 10.030 0.032 1.00 0.00 H new ATOM 959 N PRO A 66 -20.918 6.576 5.533 1.00 0.00 N ATOM 960 CA PRO A 66 -19.871 7.250 6.246 1.00 0.00 C ATOM 961 C PRO A 66 -18.845 6.278 6.716 1.00 0.00 C ATOM 962 O PRO A 66 -17.764 6.720 7.102 1.00 0.00 O ATOM 963 CB PRO A 66 -20.587 7.895 7.430 1.00 0.00 C ATOM 964 CG PRO A 66 -21.901 7.115 7.601 1.00 0.00 C ATOM 965 CD PRO A 66 -22.225 6.802 6.131 1.00 0.00 C ATOM 0 HA PRO A 66 -19.342 7.976 5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.979 7.839 8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.781 8.951 7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.774 6.213 8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.678 7.710 8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.865 5.924 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.748 7.629 5.651 1.00 0.00 H new ATOM 973 N GLU A 67 -19.231 4.990 6.745 1.00 0.00 N ATOM 974 CA GLU A 67 -18.266 3.944 6.885 1.00 0.00 C ATOM 975 C GLU A 67 -17.292 3.926 5.758 1.00 0.00 C ATOM 976 O GLU A 67 -16.077 3.893 5.945 1.00 0.00 O ATOM 977 CB GLU A 67 -18.959 2.629 7.281 1.00 0.00 C ATOM 978 CG GLU A 67 -18.187 1.626 8.140 1.00 0.00 C ATOM 979 CD GLU A 67 -19.183 0.552 8.552 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.641 -0.304 7.749 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.627 0.572 9.731 1.00 0.00 O ATOM 0 H GLU A 67 -20.198 4.675 6.673 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.601 4.135 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.875 2.885 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.255 2.121 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.359 1.192 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.759 2.114 9.015 1.00 0.00 H new ATOM 988 N PHE A 68 -17.858 3.984 4.539 1.00 0.00 N ATOM 989 CA PHE A 68 -17.139 3.689 3.338 1.00 0.00 C ATOM 990 C PHE A 68 -16.285 4.875 3.049 1.00 0.00 C ATOM 991 O PHE A 68 -15.131 4.806 2.630 1.00 0.00 O ATOM 992 CB PHE A 68 -18.127 3.518 2.172 1.00 0.00 C ATOM 993 CG PHE A 68 -17.372 3.334 0.901 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.699 2.171 0.609 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.529 4.320 -0.044 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.154 1.984 -0.640 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.055 4.136 -1.321 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.387 2.962 -1.578 1.00 0.00 C ATOM 0 H PHE A 68 -18.833 4.241 4.384 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.554 2.777 3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.772 2.658 2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.774 4.392 2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.598 1.403 1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -18.026 5.242 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.569 1.107 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.201 4.881 -2.089 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.022 2.797 -2.581 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.753 6.089 3.390 1.00 0.00 N ATOM 1009 CA LEU A 69 -16.053 7.336 3.370 1.00 0.00 C ATOM 1010 C LEU A 69 -14.646 7.316 3.858 1.00 0.00 C ATOM 1011 O LEU A 69 -13.735 7.692 3.123 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.937 8.386 4.062 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.391 9.824 4.060 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.592 10.773 3.910 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.568 10.231 5.294 1.00 0.00 C ATOM 0 H LEU A 69 -17.714 6.206 3.710 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.895 7.603 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.914 8.387 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.094 8.078 5.096 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.686 9.886 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -17.242 11.805 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.109 10.560 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.278 10.627 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.235 11.263 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.185 10.142 6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.701 9.577 5.385 1.00 0.00 H new ATOM 1027 N THR A 70 -14.417 6.879 5.110 1.00 0.00 N ATOM 1028 CA THR A 70 -13.143 6.712 5.737 1.00 0.00 C ATOM 1029 C THR A 70 -12.302 5.621 5.169 1.00 0.00 C ATOM 1030 O THR A 70 -11.087 5.766 5.049 1.00 0.00 O ATOM 1031 CB THR A 70 -13.193 6.672 7.235 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.065 5.646 7.687 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.641 8.061 7.720 1.00 0.00 C ATOM 0 H THR A 70 -15.185 6.623 5.731 1.00 0.00 H new ATOM 0 HA THR A 70 -12.625 7.636 5.479 1.00 0.00 H new ATOM 0 HB THR A 70 -12.211 6.438 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.080 5.638 8.667 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.689 8.068 8.809 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.927 8.812 7.383 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.626 8.289 7.312 1.00 0.00 H new ATOM 1041 N MET A 71 -12.946 4.497 4.806 1.00 0.00 N ATOM 1042 CA MET A 71 -12.386 3.387 4.099 1.00 0.00 C ATOM 1043 C MET A 71 -11.853 3.801 2.771 1.00 0.00 C ATOM 1044 O MET A 71 -10.770 3.402 2.345 1.00 0.00 O ATOM 1045 CB MET A 71 -13.238 2.134 3.833 1.00 0.00 C ATOM 1046 CG MET A 71 -13.848 1.500 5.085 1.00 0.00 C ATOM 1047 SD MET A 71 -15.290 0.420 4.842 1.00 0.00 S ATOM 1048 CE MET A 71 -14.535 -0.661 3.593 1.00 0.00 C ATOM 0 H MET A 71 -13.932 4.355 5.024 1.00 0.00 H new ATOM 0 HA MET A 71 -11.635 3.081 4.827 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.043 2.397 3.146 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.620 1.391 3.330 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.071 0.921 5.585 1.00 0.00 H new ATOM 0 HG3 MET A 71 -14.136 2.302 5.765 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.888 -1.683 3.735 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.813 -0.316 2.597 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.450 -0.634 3.696 1.00 0.00 H new ATOM 1058 N MET A 72 -12.575 4.673 2.046 1.00 0.00 N ATOM 1059 CA MET A 72 -12.176 5.026 0.719 1.00 0.00 C ATOM 1060 C MET A 72 -11.233 6.179 0.741 1.00 0.00 C ATOM 1061 O MET A 72 -10.407 6.398 -0.143 1.00 0.00 O ATOM 1062 CB MET A 72 -13.385 5.298 -0.193 1.00 0.00 C ATOM 1063 CG MET A 72 -13.037 5.236 -1.681 1.00 0.00 C ATOM 1064 SD MET A 72 -12.428 3.619 -2.247 1.00 0.00 S ATOM 1065 CE MET A 72 -12.198 4.214 -3.947 1.00 0.00 C ATOM 0 H MET A 72 -13.426 5.130 2.374 1.00 0.00 H new ATOM 0 HA MET A 72 -11.651 4.171 0.294 1.00 0.00 H new ATOM 0 HB2 MET A 72 -14.167 4.570 0.022 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.794 6.282 0.038 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.923 5.499 -2.259 1.00 0.00 H new ATOM 0 HG3 MET A 72 -12.280 5.990 -1.896 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.813 3.404 -4.567 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.154 4.554 -4.346 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.489 5.042 -3.950 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.226 6.963 1.834 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.158 7.892 2.042 1.00 0.00 C ATOM 1077 C ALA A 73 -8.885 7.221 2.427 1.00 0.00 C ATOM 1078 O ALA A 73 -7.785 7.695 2.147 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.633 8.893 3.109 1.00 0.00 C ATOM 0 H ALA A 73 -11.943 6.956 2.560 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.926 8.410 1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.846 9.623 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.526 9.407 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.864 8.360 4.031 1.00 0.00 H new ATOM 1234 N GLU A 83 4.511 5.762 2.392 1.00 0.00 N ATOM 1235 CA GLU A 83 5.310 4.578 2.335 1.00 0.00 C ATOM 1236 C GLU A 83 6.210 4.317 3.493 1.00 0.00 C ATOM 1237 O GLU A 83 6.578 3.226 3.927 1.00 0.00 O ATOM 1238 CB GLU A 83 6.226 4.518 1.101 1.00 0.00 C ATOM 1239 CG GLU A 83 6.676 3.141 0.608 1.00 0.00 C ATOM 1240 CD GLU A 83 5.586 2.262 0.013 1.00 0.00 C ATOM 1241 OE1 GLU A 83 4.840 2.751 -0.878 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.529 1.057 0.378 1.00 0.00 O ATOM 0 HA GLU A 83 4.523 3.824 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.712 5.016 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.119 5.103 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.454 3.281 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.131 2.608 1.443 1.00 0.00 H new ATOM 1249 N GLU A 84 6.556 5.421 4.178 1.00 0.00 N ATOM 1250 CA GLU A 84 7.231 5.363 5.438 1.00 0.00 C ATOM 1251 C GLU A 84 6.389 4.930 6.588 1.00 0.00 C ATOM 1252 O GLU A 84 6.858 4.209 7.468 1.00 0.00 O ATOM 1253 CB GLU A 84 7.827 6.709 5.883 1.00 0.00 C ATOM 1254 CG GLU A 84 8.928 7.346 5.032 1.00 0.00 C ATOM 1255 CD GLU A 84 9.551 8.631 5.559 1.00 0.00 C ATOM 1256 OE1 GLU A 84 9.904 8.715 6.765 1.00 0.00 O ATOM 1257 OE2 GLU A 84 9.611 9.651 4.822 1.00 0.00 O ATOM 0 H GLU A 84 6.365 6.369 3.853 1.00 0.00 H new ATOM 0 HA GLU A 84 8.001 4.622 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.008 7.425 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.223 6.578 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.723 6.612 4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.517 7.549 4.043 1.00 0.00 H new ATOM 1264 N ILE A 85 5.101 5.312 6.529 1.00 0.00 N ATOM 1265 CA ILE A 85 4.090 5.158 7.528 1.00 0.00 C ATOM 1266 C ILE A 85 3.613 3.749 7.442 1.00 0.00 C ATOM 1267 O ILE A 85 3.624 3.107 8.491 1.00 0.00 O ATOM 1268 CB ILE A 85 2.973 6.151 7.395 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.423 7.595 7.673 1.00 0.00 C ATOM 1270 CG2 ILE A 85 1.868 5.721 8.374 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.760 7.871 9.137 1.00 0.00 C ATOM 0 H ILE A 85 4.734 5.775 5.697 1.00 0.00 H new ATOM 0 HA ILE A 85 4.507 5.363 8.514 1.00 0.00 H new ATOM 0 HB ILE A 85 2.612 6.154 6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.298 7.816 7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.634 8.277 7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.033 6.419 8.310 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.524 4.719 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.262 5.720 9.390 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.068 8.910 9.250 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.881 7.684 9.754 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.571 7.216 9.453 1.00 0.00 H new ATOM 1283 N ARG A 86 3.375 3.169 6.252 1.00 0.00 N ATOM 1284 CA ARG A 86 3.284 1.773 5.955 1.00 0.00 C ATOM 1285 C ARG A 86 4.360 0.934 6.554 1.00 0.00 C ATOM 1286 O ARG A 86 4.132 -0.102 7.176 1.00 0.00 O ATOM 1287 CB ARG A 86 3.389 1.621 4.429 1.00 0.00 C ATOM 1288 CG ARG A 86 2.618 0.474 3.772 1.00 0.00 C ATOM 1289 CD ARG A 86 2.980 0.397 2.287 1.00 0.00 C ATOM 1290 NE ARG A 86 2.120 -0.641 1.653 1.00 0.00 N ATOM 1291 CZ ARG A 86 2.457 -1.235 0.471 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.598 -0.845 -0.169 1.00 0.00 N ATOM 1293 NH2 ARG A 86 1.848 -2.349 -0.030 1.00 0.00 N ATOM 0 H ARG A 86 3.233 3.736 5.416 1.00 0.00 H new ATOM 0 HA ARG A 86 2.341 1.426 6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.053 2.554 3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.443 1.505 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.858 -0.468 4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.545 0.630 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.826 1.364 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.033 0.145 2.165 1.00 0.00 H new ATOM 0 HE ARG A 86 1.254 -0.916 2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.187 -0.118 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.861 -1.281 -1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.088 -2.791 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.153 -2.739 -0.922 1.00 0.00 H new ATOM 1307 N GLU A 87 5.651 1.292 6.437 1.00 0.00 N ATOM 1308 CA GLU A 87 6.832 0.643 6.917 1.00 0.00 C ATOM 1309 C GLU A 87 6.926 0.798 8.396 1.00 0.00 C ATOM 1310 O GLU A 87 7.316 -0.190 9.015 1.00 0.00 O ATOM 1311 CB GLU A 87 8.081 0.927 6.065 1.00 0.00 C ATOM 1312 CG GLU A 87 9.454 0.574 6.641 1.00 0.00 C ATOM 1313 CD GLU A 87 10.528 0.386 5.579 1.00 0.00 C ATOM 1314 OE1 GLU A 87 10.249 -0.422 4.653 1.00 0.00 O ATOM 1315 OE2 GLU A 87 11.590 1.062 5.636 1.00 0.00 O ATOM 0 H GLU A 87 5.893 2.149 5.940 1.00 0.00 H new ATOM 0 HA GLU A 87 6.760 -0.434 6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.969 0.390 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.085 1.991 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.766 1.363 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.369 -0.341 7.227 1.00 0.00 H new ATOM 1322 N ALA A 88 6.513 1.927 9.000 1.00 0.00 N ATOM 1323 CA ALA A 88 6.494 2.240 10.395 1.00 0.00 C ATOM 1324 C ALA A 88 5.487 1.351 11.039 1.00 0.00 C ATOM 1325 O ALA A 88 5.856 0.672 11.996 1.00 0.00 O ATOM 1326 CB ALA A 88 6.220 3.726 10.684 1.00 0.00 C ATOM 0 H ALA A 88 6.153 2.704 8.446 1.00 0.00 H new ATOM 0 HA ALA A 88 7.485 2.063 10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.219 3.893 11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.997 4.336 10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.249 4.004 10.273 1.00 0.00 H new ATOM 1332 N PHE A 89 4.251 1.228 10.522 1.00 0.00 N ATOM 1333 CA PHE A 89 3.273 0.241 10.861 1.00 0.00 C ATOM 1334 C PHE A 89 3.777 -1.161 10.849 1.00 0.00 C ATOM 1335 O PHE A 89 3.618 -1.837 11.865 1.00 0.00 O ATOM 1336 CB PHE A 89 1.914 0.423 10.165 1.00 0.00 C ATOM 1337 CG PHE A 89 0.790 -0.210 10.912 1.00 0.00 C ATOM 1338 CD1 PHE A 89 0.603 -1.572 10.926 1.00 0.00 C ATOM 1339 CD2 PHE A 89 0.040 0.549 11.780 1.00 0.00 C ATOM 1340 CE1 PHE A 89 -0.394 -2.096 11.714 1.00 0.00 C ATOM 1341 CE2 PHE A 89 -0.861 0.008 12.667 1.00 0.00 C ATOM 1342 CZ PHE A 89 -1.116 -1.342 12.608 1.00 0.00 C ATOM 0 H PHE A 89 3.910 1.872 9.809 1.00 0.00 H new ATOM 0 HA PHE A 89 3.065 0.441 11.912 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.711 1.488 10.047 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.964 -0.004 9.164 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.228 -2.219 10.328 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.165 1.622 11.764 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.620 -3.148 11.627 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.358 0.631 13.396 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.861 -1.796 13.245 1.00 0.00 H new ATOM 1352 N ARG A 90 4.454 -1.591 9.769 1.00 0.00 N ATOM 1353 CA ARG A 90 4.869 -2.937 9.524 1.00 0.00 C ATOM 1354 C ARG A 90 6.003 -3.345 10.401 1.00 0.00 C ATOM 1355 O ARG A 90 6.147 -4.446 10.930 1.00 0.00 O ATOM 1356 CB ARG A 90 5.391 -2.881 8.079 1.00 0.00 C ATOM 1357 CG ARG A 90 6.076 -4.126 7.511 1.00 0.00 C ATOM 1358 CD ARG A 90 5.229 -5.322 7.072 1.00 0.00 C ATOM 1359 NE ARG A 90 4.565 -5.842 8.300 1.00 0.00 N ATOM 1360 CZ ARG A 90 3.220 -5.740 8.513 1.00 0.00 C ATOM 1361 NH1 ARG A 90 2.298 -5.438 7.552 1.00 0.00 N ATOM 1362 NH2 ARG A 90 2.762 -5.890 9.790 1.00 0.00 N ATOM 0 H ARG A 90 4.729 -0.956 9.019 1.00 0.00 H new ATOM 0 HA ARG A 90 4.058 -3.642 9.704 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.550 -2.638 7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.096 -2.052 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.665 -3.810 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.779 -4.483 8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.490 -5.022 6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.851 -6.090 6.612 1.00 0.00 H new ATOM 0 HE ARG A 90 5.139 -6.293 9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.599 -5.270 6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.309 -5.381 7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.418 -6.072 10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.763 -5.820 9.985 1.00 0.00 H new ATOM 1376 N VAL A 91 6.847 -2.350 10.728 1.00 0.00 N ATOM 1377 CA VAL A 91 7.989 -2.458 11.582 1.00 0.00 C ATOM 1378 C VAL A 91 7.553 -2.675 12.990 1.00 0.00 C ATOM 1379 O VAL A 91 8.077 -3.621 13.576 1.00 0.00 O ATOM 1380 CB VAL A 91 8.969 -1.337 11.399 1.00 0.00 C ATOM 1381 CG1 VAL A 91 9.891 -1.145 12.615 1.00 0.00 C ATOM 1382 CG2 VAL A 91 9.907 -1.683 10.230 1.00 0.00 C ATOM 0 H VAL A 91 6.721 -1.403 10.370 1.00 0.00 H new ATOM 0 HA VAL A 91 8.559 -3.339 11.288 1.00 0.00 H new ATOM 0 HB VAL A 91 8.378 -0.436 11.237 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.578 -0.320 12.424 1.00 0.00 H new ATOM 0 HG12 VAL A 91 9.290 -0.920 13.496 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.460 -2.058 12.788 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.624 -0.875 10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.441 -2.607 10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.321 -1.813 9.320 1.00 0.00 H new ATOM 1392 N PHE A 92 6.520 -1.980 13.498 1.00 0.00 N ATOM 1393 CA PHE A 92 5.854 -2.410 14.689 1.00 0.00 C ATOM 1394 C PHE A 92 5.123 -3.706 14.752 1.00 0.00 C ATOM 1395 O PHE A 92 5.291 -4.581 15.600 1.00 0.00 O ATOM 1396 CB PHE A 92 4.865 -1.292 15.061 1.00 0.00 C ATOM 1397 CG PHE A 92 5.377 -0.034 15.674 1.00 0.00 C ATOM 1398 CD1 PHE A 92 6.123 -0.121 16.826 1.00 0.00 C ATOM 1399 CD2 PHE A 92 5.241 1.194 15.072 1.00 0.00 C ATOM 1400 CE1 PHE A 92 6.695 0.986 17.407 1.00 0.00 C ATOM 1401 CE2 PHE A 92 5.816 2.302 15.650 1.00 0.00 C ATOM 1402 CZ PHE A 92 6.595 2.206 16.779 1.00 0.00 C ATOM 0 H PHE A 92 6.147 -1.124 13.087 1.00 0.00 H new ATOM 0 HA PHE A 92 6.683 -2.605 15.369 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.326 -1.018 14.154 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.135 -1.717 15.750 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.264 -1.087 17.288 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.686 1.289 14.150 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.218 0.899 18.348 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.651 3.272 15.206 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.117 3.069 17.164 1.00 0.00 H new ATOM 1412 N ASP A 93 4.210 -3.872 13.779 1.00 0.00 N ATOM 1413 CA ASP A 93 3.244 -4.925 13.716 1.00 0.00 C ATOM 1414 C ASP A 93 3.900 -6.207 13.332 1.00 0.00 C ATOM 1415 O ASP A 93 4.087 -6.456 12.142 1.00 0.00 O ATOM 1416 CB ASP A 93 1.954 -4.608 12.942 1.00 0.00 C ATOM 1417 CG ASP A 93 0.835 -5.578 13.294 1.00 0.00 C ATOM 1418 OD1 ASP A 93 0.777 -5.882 14.516 1.00 0.00 O ATOM 1419 OD2 ASP A 93 0.024 -5.998 12.427 1.00 0.00 O ATOM 0 H ASP A 93 4.142 -3.232 12.988 1.00 0.00 H new ATOM 0 HA ASP A 93 2.854 -5.041 14.727 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.637 -3.589 13.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.152 -4.653 11.871 1.00 0.00 H new ATOM 1424 N LYS A 94 4.220 -7.116 14.270 1.00 0.00 N ATOM 1425 CA LYS A 94 5.176 -8.179 14.236 1.00 0.00 C ATOM 1426 C LYS A 94 4.734 -9.318 13.383 1.00 0.00 C ATOM 1427 O LYS A 94 5.482 -9.951 12.640 1.00 0.00 O ATOM 1428 CB LYS A 94 5.551 -8.633 15.657 1.00 0.00 C ATOM 1429 CG LYS A 94 6.743 -9.583 15.785 1.00 0.00 C ATOM 1430 CD LYS A 94 8.003 -9.066 15.087 1.00 0.00 C ATOM 1431 CE LYS A 94 9.202 -10.007 15.218 1.00 0.00 C ATOM 1432 NZ LYS A 94 9.152 -11.092 14.213 1.00 0.00 N ATOM 0 H LYS A 94 3.741 -7.099 15.171 1.00 0.00 H new ATOM 0 HA LYS A 94 6.077 -7.784 13.767 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.759 -7.745 16.254 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.681 -9.118 16.099 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.960 -9.743 16.841 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.474 -10.552 15.364 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.786 -8.912 14.030 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.267 -8.094 15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.125 -9.440 15.098 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.220 -10.438 16.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.979 -11.712 14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.282 -11.647 14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.159 -10.681 13.258 1.00 0.00 H new ATOM 1446 N ASP A 95 3.449 -9.635 13.626 1.00 0.00 N ATOM 1447 CA ASP A 95 2.794 -10.829 13.191 1.00 0.00 C ATOM 1448 C ASP A 95 2.370 -10.658 11.772 1.00 0.00 C ATOM 1449 O ASP A 95 2.535 -11.506 10.897 1.00 0.00 O ATOM 1450 CB ASP A 95 1.651 -11.114 14.179 1.00 0.00 C ATOM 1451 CG ASP A 95 0.899 -9.917 14.743 1.00 0.00 C ATOM 1452 OD1 ASP A 95 0.629 -8.876 14.087 1.00 0.00 O ATOM 1453 OD2 ASP A 95 0.567 -9.903 15.959 1.00 0.00 O ATOM 0 H ASP A 95 2.832 -9.021 14.158 1.00 0.00 H new ATOM 0 HA ASP A 95 3.445 -11.703 13.197 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.929 -11.762 13.681 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.062 -11.679 15.016 1.00 0.00 H new ATOM 1458 N GLY A 96 1.689 -9.516 11.566 1.00 0.00 N ATOM 1459 CA GLY A 96 0.962 -9.036 10.431 1.00 0.00 C ATOM 1460 C GLY A 96 -0.511 -9.243 10.518 1.00 0.00 C ATOM 1461 O GLY A 96 -1.234 -9.405 9.536 1.00 0.00 O ATOM 0 H GLY A 96 1.646 -8.827 12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.162 -7.971 10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.336 -9.535 9.537 1.00 0.00 H new ATOM 1465 N ASN A 97 -1.113 -9.060 11.706 1.00 0.00 N ATOM 1466 CA ASN A 97 -2.536 -9.142 11.829 1.00 0.00 C ATOM 1467 C ASN A 97 -3.235 -7.873 11.479 1.00 0.00 C ATOM 1468 O ASN A 97 -4.315 -8.011 10.906 1.00 0.00 O ATOM 1469 CB ASN A 97 -2.954 -9.705 13.198 1.00 0.00 C ATOM 1470 CG ASN A 97 -2.646 -8.969 14.494 1.00 0.00 C ATOM 1471 OD1 ASN A 97 -1.928 -7.978 14.608 1.00 0.00 O ATOM 1472 ND2 ASN A 97 -3.350 -9.274 15.618 1.00 0.00 N ATOM 0 H ASN A 97 -0.620 -8.857 12.576 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.871 -9.858 11.078 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.034 -9.847 13.165 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.505 -10.695 13.283 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.252 -8.697 16.453 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.975 -10.080 15.625 1.00 0.00 H new ATOM 1479 N GLY A 98 -2.646 -6.714 11.822 1.00 0.00 N ATOM 1480 CA GLY A 98 -3.161 -5.396 11.611 1.00 0.00 C ATOM 1481 C GLY A 98 -3.265 -4.550 12.833 1.00 0.00 C ATOM 1482 O GLY A 98 -3.813 -3.449 12.801 1.00 0.00 O ATOM 0 H GLY A 98 -1.737 -6.698 12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.523 -4.886 10.889 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.150 -5.478 11.161 1.00 0.00 H new ATOM 1486 N TYR A 99 -2.860 -5.099 13.992 1.00 0.00 N ATOM 1487 CA TYR A 99 -3.224 -4.587 15.276 1.00 0.00 C ATOM 1488 C TYR A 99 -2.077 -4.622 16.226 1.00 0.00 C ATOM 1489 O TYR A 99 -1.588 -5.719 16.494 1.00 0.00 O ATOM 1490 CB TYR A 99 -4.435 -5.363 15.821 1.00 0.00 C ATOM 1491 CG TYR A 99 -5.542 -5.267 14.829 1.00 0.00 C ATOM 1492 CD1 TYR A 99 -6.342 -4.153 14.723 1.00 0.00 C ATOM 1493 CD2 TYR A 99 -5.897 -6.357 14.071 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -7.385 -4.028 13.836 1.00 0.00 C ATOM 1495 CE2 TYR A 99 -6.909 -6.280 13.143 1.00 0.00 C ATOM 1496 CZ TYR A 99 -7.651 -5.126 13.053 1.00 0.00 C ATOM 1497 OH TYR A 99 -8.750 -4.916 12.193 1.00 0.00 O ATOM 0 H TYR A 99 -2.261 -5.924 14.037 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.504 -3.540 15.165 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.170 -6.406 15.994 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.749 -4.951 16.780 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.137 -3.321 15.380 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -5.372 -7.291 14.207 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.963 -3.119 13.759 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -7.118 -7.116 12.492 1.00 0.00 H new ATOM 0 HH TYR A 99 -9.050 -5.775 11.829 1.00 0.00 H new ATOM 1507 N ILE A 100 -1.533 -3.455 16.615 1.00 0.00 N ATOM 1508 CA ILE A 100 -0.347 -3.394 17.412 1.00 0.00 C ATOM 1509 C ILE A 100 -0.705 -3.566 18.847 1.00 0.00 C ATOM 1510 O ILE A 100 -1.482 -2.766 19.366 1.00 0.00 O ATOM 1511 CB ILE A 100 0.522 -2.189 17.197 1.00 0.00 C ATOM 1512 CG1 ILE A 100 0.862 -1.963 15.715 1.00 0.00 C ATOM 1513 CG2 ILE A 100 1.836 -2.169 17.996 1.00 0.00 C ATOM 1514 CD1 ILE A 100 1.115 -0.477 15.462 1.00 0.00 C ATOM 0 H ILE A 100 -1.920 -2.543 16.374 1.00 0.00 H new ATOM 0 HA ILE A 100 0.281 -4.219 17.075 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.103 -1.380 17.576 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.744 -2.543 15.442 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.043 -2.314 15.087 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.387 -1.257 17.767 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.614 -2.201 19.063 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.440 -3.035 17.725 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.356 -0.323 14.410 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.222 0.093 15.717 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.949 -0.140 16.078 1.00 0.00 H new ATOM 1526 N SER A 101 0.014 -4.486 19.516 1.00 0.00 N ATOM 1527 CA SER A 101 -0.132 -4.590 20.935 1.00 0.00 C ATOM 1528 C SER A 101 0.986 -3.863 21.599 1.00 0.00 C ATOM 1529 O SER A 101 2.005 -3.623 20.953 1.00 0.00 O ATOM 1530 CB SER A 101 -0.124 -6.099 21.232 1.00 0.00 C ATOM 1531 OG SER A 101 1.088 -6.768 20.920 1.00 0.00 O ATOM 0 H SER A 101 0.675 -5.137 19.093 1.00 0.00 H new ATOM 0 HA SER A 101 -1.050 -4.140 21.313 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.340 -6.246 22.290 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.934 -6.568 20.673 1.00 0.00 H new ATOM 0 HG SER A 101 1.172 -6.856 19.948 1.00 0.00 H new ATOM 1537 N ALA A 102 0.912 -3.490 22.889 1.00 0.00 N ATOM 1538 CA ALA A 102 2.009 -3.048 23.693 1.00 0.00 C ATOM 1539 C ALA A 102 3.277 -3.822 23.577 1.00 0.00 C ATOM 1540 O ALA A 102 4.356 -3.231 23.536 1.00 0.00 O ATOM 1541 CB ALA A 102 1.545 -2.964 25.156 1.00 0.00 C ATOM 0 H ALA A 102 0.030 -3.498 23.402 1.00 0.00 H new ATOM 0 HA ALA A 102 2.285 -2.070 23.299 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.372 -2.628 25.781 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.719 -2.257 25.236 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.214 -3.947 25.490 1.00 0.00 H new ATOM 1547 N ALA A 103 3.250 -5.165 23.528 1.00 0.00 N ATOM 1548 CA ALA A 103 4.405 -6.003 23.447 1.00 0.00 C ATOM 1549 C ALA A 103 5.251 -5.838 22.232 1.00 0.00 C ATOM 1550 O ALA A 103 6.479 -5.862 22.161 1.00 0.00 O ATOM 1551 CB ALA A 103 3.959 -7.453 23.702 1.00 0.00 C ATOM 0 H ALA A 103 2.378 -5.693 23.546 1.00 0.00 H new ATOM 0 HA ALA A 103 5.099 -5.682 24.224 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.823 -8.115 23.646 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.509 -7.527 24.692 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.228 -7.747 22.949 1.00 0.00 H new ATOM 1557 N GLU A 104 4.538 -5.722 21.097 1.00 0.00 N ATOM 1558 CA GLU A 104 5.013 -5.340 19.804 1.00 0.00 C ATOM 1559 C GLU A 104 5.619 -3.980 19.860 1.00 0.00 C ATOM 1560 O GLU A 104 6.773 -3.813 19.469 1.00 0.00 O ATOM 1561 CB GLU A 104 3.892 -5.404 18.753 1.00 0.00 C ATOM 1562 CG GLU A 104 3.392 -6.838 18.566 1.00 0.00 C ATOM 1563 CD GLU A 104 2.166 -6.915 17.667 1.00 0.00 C ATOM 1564 OE1 GLU A 104 1.087 -6.375 18.031 1.00 0.00 O ATOM 1565 OE2 GLU A 104 2.262 -7.619 16.627 1.00 0.00 O ATOM 0 H GLU A 104 3.536 -5.914 21.087 1.00 0.00 H new ATOM 0 HA GLU A 104 5.782 -6.050 19.500 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.065 -4.764 19.060 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.258 -5.017 17.802 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.190 -7.445 18.139 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.152 -7.266 19.540 1.00 0.00 H new ATOM 1572 N LEU A 105 5.006 -2.950 20.469 1.00 0.00 N ATOM 1573 CA LEU A 105 5.611 -1.661 20.602 1.00 0.00 C ATOM 1574 C LEU A 105 6.850 -1.700 21.429 1.00 0.00 C ATOM 1575 O LEU A 105 7.882 -1.090 21.154 1.00 0.00 O ATOM 1576 CB LEU A 105 4.641 -0.557 21.058 1.00 0.00 C ATOM 1577 CG LEU A 105 5.163 0.889 21.033 1.00 0.00 C ATOM 1578 CD1 LEU A 105 4.149 1.890 20.453 1.00 0.00 C ATOM 1579 CD2 LEU A 105 5.359 1.343 22.489 1.00 0.00 C ATOM 0 H LEU A 105 4.073 -3.013 20.877 1.00 0.00 H new ATOM 0 HA LEU A 105 5.907 -1.381 19.591 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.752 -0.607 20.429 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.324 -0.785 22.076 1.00 0.00 H new ATOM 0 HG LEU A 105 6.067 0.883 20.425 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.579 2.891 20.464 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.907 1.610 19.428 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.241 1.879 21.056 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.730 2.368 22.504 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.407 1.294 23.017 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.080 0.689 22.980 1.00 0.00 H new ATOM 1591 N ARG A 106 6.939 -2.599 22.425 1.00 0.00 N ATOM 1592 CA ARG A 106 8.044 -2.610 23.332 1.00 0.00 C ATOM 1593 C ARG A 106 9.245 -3.266 22.743 1.00 0.00 C ATOM 1594 O ARG A 106 10.360 -2.797 22.969 1.00 0.00 O ATOM 1595 CB ARG A 106 7.512 -3.350 24.572 1.00 0.00 C ATOM 1596 CG ARG A 106 8.522 -3.825 25.617 1.00 0.00 C ATOM 1597 CD ARG A 106 7.977 -4.001 27.036 1.00 0.00 C ATOM 1598 NE ARG A 106 6.807 -4.901 26.831 1.00 0.00 N ATOM 1599 CZ ARG A 106 5.558 -4.812 27.375 1.00 0.00 C ATOM 1600 NH1 ARG A 106 5.203 -3.744 28.146 1.00 0.00 N ATOM 1601 NH2 ARG A 106 4.670 -5.817 27.117 1.00 0.00 N ATOM 0 H ARG A 106 6.242 -3.322 22.603 1.00 0.00 H new ATOM 0 HA ARG A 106 8.388 -1.605 23.578 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.799 -2.694 25.072 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.955 -4.221 24.227 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.938 -4.777 25.287 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.345 -3.112 25.650 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.717 -4.445 27.701 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.682 -3.049 27.477 1.00 0.00 H new ATOM 0 HE ARG A 106 6.960 -5.688 26.200 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.875 -2.997 28.323 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.266 -3.692 28.545 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.948 -6.605 26.532 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.729 -5.779 27.509 1.00 0.00 H new ATOM 1615 N HIS A 107 9.018 -4.398 22.053 1.00 0.00 N ATOM 1616 CA HIS A 107 9.951 -5.028 21.171 1.00 0.00 C ATOM 1617 C HIS A 107 10.668 -4.099 20.252 1.00 0.00 C ATOM 1618 O HIS A 107 11.888 -3.997 20.140 1.00 0.00 O ATOM 1619 CB HIS A 107 9.349 -6.191 20.363 1.00 0.00 C ATOM 1620 CG HIS A 107 10.157 -6.819 19.266 1.00 0.00 C ATOM 1621 ND1 HIS A 107 11.171 -7.697 19.589 1.00 0.00 N ATOM 1622 CD2 HIS A 107 10.139 -6.793 17.906 1.00 0.00 C ATOM 1623 CE1 HIS A 107 11.824 -8.065 18.454 1.00 0.00 C ATOM 1624 NE2 HIS A 107 11.263 -7.441 17.435 1.00 0.00 N ATOM 0 H HIS A 107 8.133 -4.902 22.114 1.00 0.00 H new ATOM 0 HA HIS A 107 10.691 -5.433 21.861 1.00 0.00 H new ATOM 0 HB2 HIS A 107 9.087 -6.979 21.069 1.00 0.00 H new ATOM 0 HB3 HIS A 107 8.418 -5.836 19.922 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.372 -6.340 17.296 1.00 0.00 H new ATOM 0 HE1 HIS A 107 12.657 -8.749 18.396 1.00 0.00 H new ATOM 0 HE2 HIS A 107 11.600 -7.438 16.472 1.00 0.00 H new ATOM 1632 N VAL A 108 9.951 -3.291 19.452 1.00 0.00 N ATOM 1633 CA VAL A 108 10.472 -2.324 18.536 1.00 0.00 C ATOM 1634 C VAL A 108 11.353 -1.265 19.105 1.00 0.00 C ATOM 1635 O VAL A 108 12.508 -1.070 18.729 1.00 0.00 O ATOM 1636 CB VAL A 108 9.441 -1.815 17.572 1.00 0.00 C ATOM 1637 CG1 VAL A 108 10.055 -0.897 16.502 1.00 0.00 C ATOM 1638 CG2 VAL A 108 8.848 -2.968 16.744 1.00 0.00 C ATOM 0 H VAL A 108 8.931 -3.316 19.446 1.00 0.00 H new ATOM 0 HA VAL A 108 11.185 -2.902 17.948 1.00 0.00 H new ATOM 0 HB VAL A 108 8.707 -1.300 18.192 1.00 0.00 H new ATOM 0 HG11 VAL A 108 9.273 -0.552 15.826 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.523 -0.038 16.984 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.806 -1.449 15.936 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.103 -2.574 16.053 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.643 -3.458 16.181 1.00 0.00 H new ATOM 0 HG23 VAL A 108 8.378 -3.690 17.411 1.00 0.00 H new ATOM 1648 N MET A 109 10.916 -0.781 20.281 1.00 0.00 N ATOM 1649 CA MET A 109 11.649 0.109 21.127 1.00 0.00 C ATOM 1650 C MET A 109 12.882 -0.514 21.685 1.00 0.00 C ATOM 1651 O MET A 109 13.874 0.211 21.749 1.00 0.00 O ATOM 1652 CB MET A 109 10.628 0.806 22.041 1.00 0.00 C ATOM 1653 CG MET A 109 9.667 1.788 21.368 1.00 0.00 C ATOM 1654 SD MET A 109 10.510 3.217 20.623 1.00 0.00 S ATOM 1655 CE MET A 109 8.932 4.110 20.719 1.00 0.00 C ATOM 0 H MET A 109 10.002 -1.024 20.662 1.00 0.00 H new ATOM 0 HA MET A 109 12.137 0.929 20.600 1.00 0.00 H new ATOM 0 HB2 MET A 109 10.037 0.038 22.540 1.00 0.00 H new ATOM 0 HB3 MET A 109 11.175 1.342 22.817 1.00 0.00 H new ATOM 0 HG2 MET A 109 9.103 1.264 20.596 1.00 0.00 H new ATOM 0 HG3 MET A 109 8.946 2.143 22.104 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.991 5.018 20.119 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.131 3.475 20.339 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.725 4.373 21.756 1.00 0.00 H new ATOM 1665 N THR A 110 12.979 -1.798 22.073 1.00 0.00 N ATOM 1666 CA THR A 110 14.252 -2.364 22.396 1.00 0.00 C ATOM 1667 C THR A 110 15.110 -2.693 21.223 1.00 0.00 C ATOM 1668 O THR A 110 16.325 -2.705 21.413 1.00 0.00 O ATOM 1669 CB THR A 110 14.244 -3.618 23.219 1.00 0.00 C ATOM 1670 OG1 THR A 110 13.317 -4.636 22.871 1.00 0.00 O ATOM 1671 CG2 THR A 110 13.949 -3.224 24.676 1.00 0.00 C ATOM 0 H THR A 110 12.189 -2.437 22.162 1.00 0.00 H new ATOM 0 HA THR A 110 14.653 -1.535 22.979 1.00 0.00 H new ATOM 0 HB THR A 110 15.225 -4.057 23.039 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.864 -4.395 22.036 1.00 0.00 H new ATOM 0 HG21 THR A 110 13.937 -4.118 25.299 1.00 0.00 H new ATOM 0 HG22 THR A 110 14.722 -2.543 25.033 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.978 -2.731 24.730 1.00 0.00 H new ATOM 1679 N ASN A 111 14.591 -2.830 19.990 1.00 0.00 N ATOM 1680 CA ASN A 111 15.446 -3.015 18.859 1.00 0.00 C ATOM 1681 C ASN A 111 16.211 -1.758 18.620 1.00 0.00 C ATOM 1682 O ASN A 111 17.409 -1.843 18.358 1.00 0.00 O ATOM 1683 CB ASN A 111 14.611 -3.457 17.645 1.00 0.00 C ATOM 1684 CG ASN A 111 13.872 -4.754 17.941 1.00 0.00 C ATOM 1685 OD1 ASN A 111 14.315 -5.693 18.601 1.00 0.00 O ATOM 1686 ND2 ASN A 111 12.759 -4.941 17.183 1.00 0.00 N ATOM 0 H ASN A 111 13.594 -2.813 19.777 1.00 0.00 H new ATOM 0 HA ASN A 111 16.172 -3.807 19.042 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.896 -2.676 17.386 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.261 -3.593 16.781 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.301 -5.852 17.166 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.382 -4.170 16.631 1.00 0.00 H new ATOM 1693 N LEU A 112 15.594 -0.566 18.713 1.00 0.00 N ATOM 1694 CA LEU A 112 16.148 0.732 18.483 1.00 0.00 C ATOM 1695 C LEU A 112 17.213 1.177 19.425 1.00 0.00 C ATOM 1696 O LEU A 112 18.228 1.775 19.070 1.00 0.00 O ATOM 1697 CB LEU A 112 14.986 1.740 18.480 1.00 0.00 C ATOM 1698 CG LEU A 112 13.899 1.510 17.417 1.00 0.00 C ATOM 1699 CD1 LEU A 112 12.730 2.508 17.449 1.00 0.00 C ATOM 1700 CD2 LEU A 112 14.511 1.653 16.013 1.00 0.00 C ATOM 0 H LEU A 112 14.610 -0.509 18.975 1.00 0.00 H new ATOM 0 HA LEU A 112 16.666 0.676 17.526 1.00 0.00 H new ATOM 0 HB2 LEU A 112 14.515 1.724 19.463 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.398 2.739 18.340 1.00 0.00 H new ATOM 0 HG LEU A 112 13.515 0.515 17.641 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.018 2.260 16.661 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.233 2.455 18.417 1.00 0.00 H new ATOM 0 HD13 LEU A 112 13.109 3.518 17.291 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.739 1.490 15.261 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.925 2.655 15.897 1.00 0.00 H new ATOM 0 HD23 LEU A 112 15.304 0.916 15.885 1.00 0.00 H new ATOM 1712 N GLY A 113 17.135 0.767 20.703 1.00 0.00 N ATOM 1713 CA GLY A 113 18.024 1.155 21.754 1.00 0.00 C ATOM 1714 C GLY A 113 17.605 2.181 22.750 1.00 0.00 C ATOM 1715 O GLY A 113 18.284 2.350 23.762 1.00 0.00 O ATOM 0 H GLY A 113 16.408 0.126 21.021 1.00 0.00 H new ATOM 0 HA2 GLY A 113 18.282 0.253 22.309 1.00 0.00 H new ATOM 0 HA3 GLY A 113 18.940 1.514 21.286 1.00 0.00 H new ATOM 1719 N GLU A 114 16.481 2.872 22.489 1.00 0.00 N ATOM 1720 CA GLU A 114 15.887 3.882 23.307 1.00 0.00 C ATOM 1721 C GLU A 114 15.054 3.365 24.429 1.00 0.00 C ATOM 1722 O GLU A 114 14.180 2.510 24.294 1.00 0.00 O ATOM 1723 CB GLU A 114 15.056 4.782 22.377 1.00 0.00 C ATOM 1724 CG GLU A 114 14.711 6.123 23.027 1.00 0.00 C ATOM 1725 CD GLU A 114 14.023 7.158 22.149 1.00 0.00 C ATOM 1726 OE1 GLU A 114 14.610 7.500 21.087 1.00 0.00 O ATOM 1727 OE2 GLU A 114 12.958 7.697 22.553 1.00 0.00 O ATOM 0 H GLU A 114 15.946 2.709 21.636 1.00 0.00 H new ATOM 0 HA GLU A 114 16.687 4.431 23.803 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.610 4.959 21.455 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.136 4.266 22.102 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.070 5.928 23.887 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.633 6.562 23.409 1.00 0.00 H new ATOM 1734 N LYS A 115 15.367 3.874 25.634 1.00 0.00 N ATOM 1735 CA LYS A 115 14.685 3.351 26.777 1.00 0.00 C ATOM 1736 C LYS A 115 13.300 3.835 27.034 1.00 0.00 C ATOM 1737 O LYS A 115 13.082 5.024 27.264 1.00 0.00 O ATOM 1738 CB LYS A 115 15.539 3.719 28.003 1.00 0.00 C ATOM 1739 CG LYS A 115 15.269 2.871 29.247 1.00 0.00 C ATOM 1740 CD LYS A 115 15.914 3.351 30.549 1.00 0.00 C ATOM 1741 CE LYS A 115 15.578 2.640 31.861 1.00 0.00 C ATOM 1742 NZ LYS A 115 14.160 2.822 32.247 1.00 0.00 N ATOM 0 H LYS A 115 16.053 4.607 25.814 1.00 0.00 H new ATOM 0 HA LYS A 115 14.568 2.285 26.582 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.592 3.625 27.737 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.365 4.767 28.249 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.191 2.819 29.398 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.612 1.855 29.050 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.995 3.300 30.417 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.658 4.403 30.672 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.792 1.576 31.761 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.221 3.021 32.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.977 2.324 33.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.961 3.835 32.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.545 2.435 31.503 1.00 0.00 H new ATOM 1756 N LEU A 116 12.369 2.875 27.173 1.00 0.00 N ATOM 1757 CA LEU A 116 11.047 3.077 27.680 1.00 0.00 C ATOM 1758 C LEU A 116 10.808 2.078 28.760 1.00 0.00 C ATOM 1759 O LEU A 116 11.268 0.945 28.633 1.00 0.00 O ATOM 1760 CB LEU A 116 9.950 2.751 26.653 1.00 0.00 C ATOM 1761 CG LEU A 116 9.616 3.870 25.652 1.00 0.00 C ATOM 1762 CD1 LEU A 116 10.724 4.271 24.664 1.00 0.00 C ATOM 1763 CD2 LEU A 116 8.336 3.462 24.902 1.00 0.00 C ATOM 0 H LEU A 116 12.549 1.904 26.917 1.00 0.00 H new ATOM 0 HA LEU A 116 10.995 4.122 27.984 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.254 1.867 26.093 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.040 2.489 27.193 1.00 0.00 H new ATOM 0 HG LEU A 116 9.485 4.775 26.245 1.00 0.00 H new ATOM 0 HD11 LEU A 116 10.362 5.068 24.015 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.595 4.622 25.217 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.002 3.408 24.059 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.073 4.238 24.183 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.506 2.522 24.376 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.521 3.336 25.615 1.00 0.00 H new ATOM 1775 N THR A 117 10.072 2.418 29.833 1.00 0.00 N ATOM 1776 CA THR A 117 9.510 1.544 30.815 1.00 0.00 C ATOM 1777 C THR A 117 8.349 0.828 30.214 1.00 0.00 C ATOM 1778 O THR A 117 7.784 1.266 29.213 1.00 0.00 O ATOM 1779 CB THR A 117 9.094 2.200 32.097 1.00 0.00 C ATOM 1780 OG1 THR A 117 8.246 3.318 31.881 1.00 0.00 O ATOM 1781 CG2 THR A 117 10.298 2.747 32.882 1.00 0.00 C ATOM 0 H THR A 117 9.851 3.394 30.029 1.00 0.00 H new ATOM 0 HA THR A 117 10.309 0.859 31.098 1.00 0.00 H new ATOM 0 HB THR A 117 8.579 1.415 32.650 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.768 4.057 31.504 1.00 0.00 H new ATOM 0 HG21 THR A 117 9.950 3.214 33.803 1.00 0.00 H new ATOM 0 HG22 THR A 117 10.977 1.929 33.123 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.822 3.486 32.276 1.00 0.00 H new ATOM 1789 N ASP A 118 7.825 -0.220 30.875 1.00 0.00 N ATOM 1790 CA ASP A 118 6.592 -0.832 30.489 1.00 0.00 C ATOM 1791 C ASP A 118 5.329 -0.048 30.590 1.00 0.00 C ATOM 1792 O ASP A 118 4.479 -0.078 29.701 1.00 0.00 O ATOM 1793 CB ASP A 118 6.381 -2.032 31.428 1.00 0.00 C ATOM 1794 CG ASP A 118 7.322 -3.115 30.918 1.00 0.00 C ATOM 1795 OD1 ASP A 118 8.511 -3.137 31.335 1.00 0.00 O ATOM 1796 OD2 ASP A 118 6.825 -4.008 30.182 1.00 0.00 O ATOM 0 H ASP A 118 8.264 -0.649 31.690 1.00 0.00 H new ATOM 0 HA ASP A 118 6.729 -1.027 29.425 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.609 -1.768 32.461 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.345 -2.370 31.407 1.00 0.00 H new ATOM 1801 N GLU A 119 5.191 0.797 31.626 1.00 0.00 N ATOM 1802 CA GLU A 119 4.199 1.824 31.710 1.00 0.00 C ATOM 1803 C GLU A 119 4.178 2.777 30.566 1.00 0.00 C ATOM 1804 O GLU A 119 3.074 2.998 30.070 1.00 0.00 O ATOM 1805 CB GLU A 119 4.158 2.605 33.035 1.00 0.00 C ATOM 1806 CG GLU A 119 3.631 1.800 34.225 1.00 0.00 C ATOM 1807 CD GLU A 119 3.499 2.687 35.455 1.00 0.00 C ATOM 1808 OE1 GLU A 119 4.625 2.905 35.976 1.00 0.00 O ATOM 1809 OE2 GLU A 119 2.395 3.120 35.881 1.00 0.00 O ATOM 0 H GLU A 119 5.799 0.763 32.444 1.00 0.00 H new ATOM 0 HA GLU A 119 3.289 1.225 31.662 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.163 2.958 33.267 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.533 3.488 32.903 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.662 1.366 33.977 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.306 0.971 34.438 1.00 0.00 H new ATOM 1816 N GLU A 120 5.316 3.315 30.091 1.00 0.00 N ATOM 1817 CA GLU A 120 5.501 4.249 29.024 1.00 0.00 C ATOM 1818 C GLU A 120 5.031 3.607 27.764 1.00 0.00 C ATOM 1819 O GLU A 120 4.274 4.230 27.022 1.00 0.00 O ATOM 1820 CB GLU A 120 6.970 4.615 28.755 1.00 0.00 C ATOM 1821 CG GLU A 120 7.417 5.645 29.795 1.00 0.00 C ATOM 1822 CD GLU A 120 8.892 5.963 29.597 1.00 0.00 C ATOM 1823 OE1 GLU A 120 9.285 6.777 28.720 1.00 0.00 O ATOM 1824 OE2 GLU A 120 9.703 5.370 30.357 1.00 0.00 O ATOM 0 H GLU A 120 6.212 3.062 30.508 1.00 0.00 H new ATOM 0 HA GLU A 120 4.958 5.148 29.316 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.597 3.725 28.810 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.080 5.021 27.749 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.823 6.554 29.700 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.250 5.258 30.800 1.00 0.00 H new ATOM 1831 N VAL A 121 5.355 2.333 27.478 1.00 0.00 N ATOM 1832 CA VAL A 121 4.842 1.540 26.404 1.00 0.00 C ATOM 1833 C VAL A 121 3.355 1.437 26.401 1.00 0.00 C ATOM 1834 O VAL A 121 2.726 1.606 25.358 1.00 0.00 O ATOM 1835 CB VAL A 121 5.349 0.129 26.407 1.00 0.00 C ATOM 1836 CG1 VAL A 121 4.728 -0.889 25.435 1.00 0.00 C ATOM 1837 CG2 VAL A 121 6.841 0.262 26.055 1.00 0.00 C ATOM 0 H VAL A 121 6.030 1.818 28.044 1.00 0.00 H new ATOM 0 HA VAL A 121 5.195 2.075 25.522 1.00 0.00 H new ATOM 0 HB VAL A 121 5.091 -0.285 27.382 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.208 -1.858 25.567 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.661 -0.982 25.638 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.874 -0.549 24.410 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.299 -0.727 26.034 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.944 0.731 25.076 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.339 0.876 26.805 1.00 0.00 H new ATOM 1847 N ASP A 122 2.763 1.142 27.572 1.00 0.00 N ATOM 1848 CA ASP A 122 1.338 1.051 27.643 1.00 0.00 C ATOM 1849 C ASP A 122 0.675 2.360 27.384 1.00 0.00 C ATOM 1850 O ASP A 122 -0.371 2.522 26.757 1.00 0.00 O ATOM 1851 CB ASP A 122 0.946 0.682 29.084 1.00 0.00 C ATOM 1852 CG ASP A 122 -0.516 0.290 29.244 1.00 0.00 C ATOM 1853 OD1 ASP A 122 -0.949 -0.759 28.696 1.00 0.00 O ATOM 1854 OD2 ASP A 122 -1.193 1.087 29.946 1.00 0.00 O ATOM 0 H ASP A 122 3.255 0.970 28.449 1.00 0.00 H new ATOM 0 HA ASP A 122 1.028 0.318 26.898 1.00 0.00 H new ATOM 0 HB2 ASP A 122 1.572 -0.144 29.420 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.158 1.529 29.736 1.00 0.00 H new ATOM 1859 N GLU A 123 1.372 3.452 27.746 1.00 0.00 N ATOM 1860 CA GLU A 123 0.843 4.775 27.629 1.00 0.00 C ATOM 1861 C GLU A 123 0.819 5.235 26.211 1.00 0.00 C ATOM 1862 O GLU A 123 -0.172 5.827 25.786 1.00 0.00 O ATOM 1863 CB GLU A 123 1.555 5.856 28.460 1.00 0.00 C ATOM 1864 CG GLU A 123 0.790 7.151 28.741 1.00 0.00 C ATOM 1865 CD GLU A 123 1.590 8.048 29.675 1.00 0.00 C ATOM 1866 OE1 GLU A 123 2.700 8.466 29.250 1.00 0.00 O ATOM 1867 OE2 GLU A 123 1.088 8.410 30.773 1.00 0.00 O ATOM 0 H GLU A 123 2.318 3.416 28.126 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.163 4.669 28.034 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.833 5.415 29.417 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.481 6.117 27.949 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.592 7.674 27.805 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.177 6.920 29.188 1.00 0.00 H new ATOM 1874 N MET A 124 1.865 4.946 25.417 1.00 0.00 N ATOM 1875 CA MET A 124 1.864 5.202 24.010 1.00 0.00 C ATOM 1876 C MET A 124 0.836 4.438 23.248 1.00 0.00 C ATOM 1877 O MET A 124 0.239 5.063 22.373 1.00 0.00 O ATOM 1878 CB MET A 124 3.198 4.892 23.310 1.00 0.00 C ATOM 1879 CG MET A 124 4.277 5.723 24.007 1.00 0.00 C ATOM 1880 SD MET A 124 5.783 5.760 22.988 1.00 0.00 S ATOM 1881 CE MET A 124 5.005 7.070 22.001 1.00 0.00 C ATOM 0 H MET A 124 2.729 4.526 25.759 1.00 0.00 H new ATOM 0 HA MET A 124 1.651 6.271 23.989 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.429 3.829 23.375 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.144 5.142 22.250 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.916 6.738 24.174 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.500 5.298 24.986 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.884 6.728 20.973 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.028 7.310 22.421 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.635 7.959 22.016 1.00 0.00 H new ATOM 1891 N ILE A 125 0.481 3.196 23.621 1.00 0.00 N ATOM 1892 CA ILE A 125 -0.613 2.476 23.046 1.00 0.00 C ATOM 1893 C ILE A 125 -1.941 3.021 23.443 1.00 0.00 C ATOM 1894 O ILE A 125 -2.844 3.126 22.614 1.00 0.00 O ATOM 1895 CB ILE A 125 -0.527 1.051 23.509 1.00 0.00 C ATOM 1896 CG1 ILE A 125 0.766 0.373 23.026 1.00 0.00 C ATOM 1897 CG2 ILE A 125 -1.691 0.232 22.926 1.00 0.00 C ATOM 1898 CD1 ILE A 125 0.896 -0.102 21.579 1.00 0.00 C ATOM 0 H ILE A 125 0.972 2.675 24.348 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.536 2.565 21.962 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.556 1.077 24.598 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.584 1.070 23.211 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.934 -0.493 23.666 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.618 -0.800 23.269 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.638 0.658 23.258 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.644 0.257 21.837 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.877 -0.553 21.431 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.122 -0.840 21.367 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.782 0.747 20.906 1.00 0.00 H new ATOM 1910 N ARG A 126 -2.139 3.461 24.699 1.00 0.00 N ATOM 1911 CA ARG A 126 -3.409 3.882 25.202 1.00 0.00 C ATOM 1912 C ARG A 126 -3.653 5.252 24.670 1.00 0.00 C ATOM 1913 O ARG A 126 -4.796 5.560 24.338 1.00 0.00 O ATOM 1914 CB ARG A 126 -3.384 4.130 26.719 1.00 0.00 C ATOM 1915 CG ARG A 126 -4.669 4.428 27.493 1.00 0.00 C ATOM 1916 CD ARG A 126 -4.381 5.016 28.877 1.00 0.00 C ATOM 1917 NE ARG A 126 -4.030 6.442 28.628 1.00 0.00 N ATOM 1918 CZ ARG A 126 -3.092 7.133 29.338 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -2.334 6.560 30.319 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -2.854 8.450 29.069 1.00 0.00 N ATOM 0 H ARG A 126 -1.389 3.526 25.387 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.133 3.114 24.931 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -2.932 3.251 27.178 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.706 4.965 26.894 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.282 5.126 26.923 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.248 3.511 27.602 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.250 4.932 29.529 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.563 4.488 29.367 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.521 6.932 27.880 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.457 5.574 30.548 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.645 7.118 30.823 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.379 8.923 28.333 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.151 8.961 29.604 1.00 0.00 H new ATOM 1934 N GLU A 127 -2.643 6.121 24.481 1.00 0.00 N ATOM 1935 CA GLU A 127 -2.781 7.353 23.768 1.00 0.00 C ATOM 1936 C GLU A 127 -3.060 7.117 22.324 1.00 0.00 C ATOM 1937 O GLU A 127 -3.677 7.952 21.664 1.00 0.00 O ATOM 1938 CB GLU A 127 -1.623 8.303 24.119 1.00 0.00 C ATOM 1939 CG GLU A 127 -1.817 8.875 25.525 1.00 0.00 C ATOM 1940 CD GLU A 127 -3.032 9.783 25.651 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -3.230 10.643 24.752 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -3.796 9.725 26.652 1.00 0.00 O ATOM 0 H GLU A 127 -1.700 5.961 24.836 1.00 0.00 H new ATOM 0 HA GLU A 127 -3.670 7.893 24.094 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.675 7.768 24.064 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.575 9.114 23.392 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.914 8.052 26.233 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.925 9.434 25.807 1.00 0.00 H new ATOM 1949 N ALA A 128 -2.639 5.980 21.741 1.00 0.00 N ATOM 1950 CA ALA A 128 -2.988 5.639 20.397 1.00 0.00 C ATOM 1951 C ALA A 128 -4.327 5.008 20.224 1.00 0.00 C ATOM 1952 O ALA A 128 -4.937 5.232 19.180 1.00 0.00 O ATOM 1953 CB ALA A 128 -1.799 4.906 19.754 1.00 0.00 C ATOM 0 H ALA A 128 -2.050 5.290 22.207 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.153 6.557 19.834 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.049 4.638 18.727 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.925 5.558 19.757 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.579 4.002 20.321 1.00 0.00 H new ATOM 1959 N ASP A 129 -4.820 4.094 21.079 1.00 0.00 N ATOM 1960 CA ASP A 129 -6.005 3.301 20.960 1.00 0.00 C ATOM 1961 C ASP A 129 -7.207 4.163 21.134 1.00 0.00 C ATOM 1962 O ASP A 129 -7.218 4.845 22.158 1.00 0.00 O ATOM 1963 CB ASP A 129 -5.946 2.046 21.848 1.00 0.00 C ATOM 1964 CG ASP A 129 -7.269 1.294 21.860 1.00 0.00 C ATOM 1965 OD1 ASP A 129 -7.835 0.842 20.828 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -7.871 1.367 22.964 1.00 0.00 O ATOM 0 H ASP A 129 -4.331 3.890 21.951 1.00 0.00 H new ATOM 0 HA ASP A 129 -6.082 2.890 19.953 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -5.157 1.385 21.490 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.683 2.334 22.866 1.00 0.00 H new ATOM 1971 N ILE A 130 -8.130 4.093 20.158 1.00 0.00 N ATOM 1972 CA ILE A 130 -9.345 4.843 20.074 1.00 0.00 C ATOM 1973 C ILE A 130 -10.546 3.984 20.270 1.00 0.00 C ATOM 1974 O ILE A 130 -11.401 4.198 21.127 1.00 0.00 O ATOM 1975 CB ILE A 130 -9.475 5.735 18.876 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -8.234 6.628 18.704 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -10.763 6.576 18.908 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -8.177 7.311 17.338 1.00 0.00 C ATOM 0 H ILE A 130 -8.016 3.461 19.365 1.00 0.00 H new ATOM 0 HA ILE A 130 -9.285 5.539 20.911 1.00 0.00 H new ATOM 0 HB ILE A 130 -9.544 5.082 18.006 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -8.229 7.388 19.485 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.337 6.024 18.840 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -10.809 7.205 18.019 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -11.629 5.914 18.930 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -10.764 7.206 19.798 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -7.280 7.927 17.276 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -8.152 6.554 16.554 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -9.058 7.939 17.208 1.00 0.00 H new ATOM 1990 N ASP A 131 -10.767 2.932 19.460 1.00 0.00 N ATOM 1991 CA ASP A 131 -11.903 2.069 19.560 1.00 0.00 C ATOM 1992 C ASP A 131 -12.001 1.163 20.739 1.00 0.00 C ATOM 1993 O ASP A 131 -12.857 0.284 20.810 1.00 0.00 O ATOM 1994 CB ASP A 131 -12.147 1.240 18.288 1.00 0.00 C ATOM 1995 CG ASP A 131 -10.953 0.358 17.953 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -10.542 -0.537 18.739 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -10.217 0.571 16.952 1.00 0.00 O ATOM 0 H ASP A 131 -10.130 2.673 18.707 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.685 2.815 19.705 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.032 0.618 18.423 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.352 1.908 17.452 1.00 0.00 H new ATOM 2002 N GLY A 132 -11.276 1.531 21.811 1.00 0.00 N ATOM 2003 CA GLY A 132 -11.238 0.917 23.102 1.00 0.00 C ATOM 2004 C GLY A 132 -10.688 -0.454 23.300 1.00 0.00 C ATOM 2005 O GLY A 132 -10.770 -1.042 24.377 1.00 0.00 O ATOM 0 H GLY A 132 -10.656 2.339 21.766 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.670 1.582 23.752 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -12.262 0.904 23.476 1.00 0.00 H new ATOM 2009 N ASP A 133 -10.190 -1.140 22.255 1.00 0.00 N ATOM 2010 CA ASP A 133 -9.749 -2.489 22.430 1.00 0.00 C ATOM 2011 C ASP A 133 -8.372 -2.627 22.980 1.00 0.00 C ATOM 2012 O ASP A 133 -8.042 -3.642 23.592 1.00 0.00 O ATOM 2013 CB ASP A 133 -9.919 -3.289 21.127 1.00 0.00 C ATOM 2014 CG ASP A 133 -8.967 -2.983 19.979 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -8.155 -2.037 20.157 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -9.066 -3.645 18.911 1.00 0.00 O ATOM 0 H ASP A 133 -10.094 -0.771 21.309 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.396 -2.912 23.198 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.824 -4.348 21.369 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -10.937 -3.134 20.769 1.00 0.00 H new ATOM 2021 N GLY A 134 -7.542 -1.569 23.009 1.00 0.00 N ATOM 2022 CA GLY A 134 -6.210 -1.652 23.523 1.00 0.00 C ATOM 2023 C GLY A 134 -5.178 -2.129 22.560 1.00 0.00 C ATOM 2024 O GLY A 134 -4.059 -2.387 23.001 1.00 0.00 O ATOM 0 H GLY A 134 -7.799 -0.642 22.671 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -5.917 -0.666 23.884 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -6.213 -2.319 24.385 1.00 0.00 H new ATOM 2028 N GLN A 135 -5.465 -2.289 21.256 1.00 0.00 N ATOM 2029 CA GLN A 135 -4.487 -2.534 20.242 1.00 0.00 C ATOM 2030 C GLN A 135 -4.623 -1.454 19.225 1.00 0.00 C ATOM 2031 O GLN A 135 -5.690 -0.928 18.913 1.00 0.00 O ATOM 2032 CB GLN A 135 -4.748 -3.911 19.608 1.00 0.00 C ATOM 2033 CG GLN A 135 -4.293 -5.069 20.498 1.00 0.00 C ATOM 2034 CD GLN A 135 -4.329 -6.440 19.837 1.00 0.00 C ATOM 2035 OE1 GLN A 135 -3.277 -7.026 19.588 1.00 0.00 O ATOM 2036 NE2 GLN A 135 -5.459 -6.836 19.192 1.00 0.00 N ATOM 0 H GLN A 135 -6.417 -2.246 20.893 1.00 0.00 H new ATOM 0 HA GLN A 135 -3.478 -2.535 20.654 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -5.813 -4.015 19.401 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -4.230 -3.969 18.651 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -3.275 -4.871 20.834 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -4.923 -5.094 21.387 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -6.345 -6.367 19.380 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.421 -7.602 18.520 1.00 0.00 H new ATOM 2045 N VAL A 136 -3.515 -1.036 18.587 1.00 0.00 N ATOM 2046 CA VAL A 136 -3.477 0.037 17.643 1.00 0.00 C ATOM 2047 C VAL A 136 -3.677 -0.400 16.232 1.00 0.00 C ATOM 2048 O VAL A 136 -2.843 -1.180 15.777 1.00 0.00 O ATOM 2049 CB VAL A 136 -2.214 0.827 17.816 1.00 0.00 C ATOM 2050 CG1 VAL A 136 -2.391 2.242 17.238 1.00 0.00 C ATOM 2051 CG2 VAL A 136 -1.700 0.983 19.257 1.00 0.00 C ATOM 0 H VAL A 136 -2.603 -1.467 18.737 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.329 0.683 17.857 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.469 0.236 17.283 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.468 2.807 17.369 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.627 2.174 16.176 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.203 2.749 17.759 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.783 1.572 19.254 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.454 1.489 19.860 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.498 -0.001 19.680 1.00 0.00 H new ATOM 2061 N ASN A 137 -4.729 -0.003 15.495 1.00 0.00 N ATOM 2062 CA ASN A 137 -4.762 -0.294 14.095 1.00 0.00 C ATOM 2063 C ASN A 137 -4.137 0.846 13.367 1.00 0.00 C ATOM 2064 O ASN A 137 -3.607 1.777 13.972 1.00 0.00 O ATOM 2065 CB ASN A 137 -6.165 -0.504 13.500 1.00 0.00 C ATOM 2066 CG ASN A 137 -7.206 0.606 13.520 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -7.043 1.701 12.985 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -8.322 0.355 14.256 1.00 0.00 N ATOM 0 H ASN A 137 -5.537 0.506 15.855 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.229 -1.238 13.978 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -6.028 -0.793 12.458 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.603 -1.360 14.013 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -9.032 1.078 14.368 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.448 -0.556 14.696 1.00 0.00 H new ATOM 2075 N TYR A 138 -4.208 0.813 12.025 1.00 0.00 N ATOM 2076 CA TYR A 138 -3.573 1.732 11.133 1.00 0.00 C ATOM 2077 C TYR A 138 -4.087 3.130 11.154 1.00 0.00 C ATOM 2078 O TYR A 138 -3.308 4.058 11.366 1.00 0.00 O ATOM 2079 CB TYR A 138 -3.791 1.152 9.726 1.00 0.00 C ATOM 2080 CG TYR A 138 -2.793 1.749 8.793 1.00 0.00 C ATOM 2081 CD1 TYR A 138 -1.471 1.381 8.715 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -3.226 2.748 7.953 1.00 0.00 C ATOM 2083 CE1 TYR A 138 -0.573 2.114 7.974 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -2.364 3.453 7.146 1.00 0.00 C ATOM 2085 CZ TYR A 138 -1.045 3.068 7.105 1.00 0.00 C ATOM 2086 OH TYR A 138 -0.073 3.773 6.363 1.00 0.00 O ATOM 0 H TYR A 138 -4.743 0.098 11.532 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.532 1.823 11.443 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.686 0.067 9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.803 1.368 9.383 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.132 0.503 9.244 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -4.279 2.987 7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 138 0.489 1.942 8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.715 4.289 6.559 1.00 0.00 H new ATOM 0 HH TYR A 138 -0.516 4.423 5.779 1.00 0.00 H new ATOM 2096 N GLU A 139 -5.409 3.350 11.033 1.00 0.00 N ATOM 2097 CA GLU A 139 -6.024 4.611 11.310 1.00 0.00 C ATOM 2098 C GLU A 139 -5.874 5.271 12.637 1.00 0.00 C ATOM 2099 O GLU A 139 -5.799 6.490 12.785 1.00 0.00 O ATOM 2100 CB GLU A 139 -7.521 4.472 10.987 1.00 0.00 C ATOM 2101 CG GLU A 139 -8.204 5.838 10.896 1.00 0.00 C ATOM 2102 CD GLU A 139 -9.314 5.757 9.858 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -9.062 5.820 8.625 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -10.488 5.759 10.315 1.00 0.00 O ATOM 0 H GLU A 139 -6.068 2.631 10.734 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.453 5.294 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.643 3.940 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.006 3.872 11.757 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.613 6.122 11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.481 6.605 10.618 1.00 0.00 H new ATOM 2111 N GLU A 140 -5.686 4.471 13.702 1.00 0.00 N ATOM 2112 CA GLU A 140 -5.372 4.923 15.022 1.00 0.00 C ATOM 2113 C GLU A 140 -3.936 5.273 15.210 1.00 0.00 C ATOM 2114 O GLU A 140 -3.553 6.285 15.794 1.00 0.00 O ATOM 2115 CB GLU A 140 -5.811 3.767 15.937 1.00 0.00 C ATOM 2116 CG GLU A 140 -7.281 3.358 16.048 1.00 0.00 C ATOM 2117 CD GLU A 140 -7.534 2.229 17.036 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -6.965 1.106 16.965 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -8.231 2.427 18.067 1.00 0.00 O ATOM 0 H GLU A 140 -5.757 3.455 13.638 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.887 5.857 15.249 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.258 2.883 15.620 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.472 4.012 16.944 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -7.868 4.227 16.346 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -7.639 3.054 15.064 1.00 0.00 H new ATOM 2126 N PHE A 141 -3.040 4.444 14.645 1.00 0.00 N ATOM 2127 CA PHE A 141 -1.661 4.773 14.458 1.00 0.00 C ATOM 2128 C PHE A 141 -1.329 6.042 13.752 1.00 0.00 C ATOM 2129 O PHE A 141 -0.574 6.868 14.260 1.00 0.00 O ATOM 2130 CB PHE A 141 -1.001 3.563 13.777 1.00 0.00 C ATOM 2131 CG PHE A 141 0.450 3.630 13.442 1.00 0.00 C ATOM 2132 CD1 PHE A 141 1.283 3.473 14.525 1.00 0.00 C ATOM 2133 CD2 PHE A 141 0.983 3.892 12.202 1.00 0.00 C ATOM 2134 CE1 PHE A 141 2.627 3.241 14.348 1.00 0.00 C ATOM 2135 CE2 PHE A 141 2.339 3.820 11.983 1.00 0.00 C ATOM 2136 CZ PHE A 141 3.101 3.560 13.097 1.00 0.00 C ATOM 0 H PHE A 141 -3.284 3.513 14.307 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.266 4.982 15.452 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -1.151 2.698 14.423 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.544 3.368 12.853 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.878 3.532 15.524 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.326 4.159 11.387 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.258 2.841 15.128 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.774 3.958 11.004 1.00 0.00 H new ATOM 0 HZ PHE A 141 4.173 3.611 12.979 1.00 0.00 H new ATOM 2146 N VAL A 142 -1.970 6.281 12.594 1.00 0.00 N ATOM 2147 CA VAL A 142 -1.967 7.493 11.835 1.00 0.00 C ATOM 2148 C VAL A 142 -2.232 8.696 12.674 1.00 0.00 C ATOM 2149 O VAL A 142 -1.406 9.605 12.749 1.00 0.00 O ATOM 2150 CB VAL A 142 -2.890 7.443 10.654 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -3.206 8.796 9.994 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -2.240 6.519 9.610 1.00 0.00 C ATOM 0 H VAL A 142 -2.541 5.561 12.151 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.954 7.587 11.445 1.00 0.00 H new ATOM 0 HB VAL A 142 -3.850 7.083 11.023 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.881 8.641 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.679 9.454 10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -2.282 9.252 9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.882 6.455 8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.269 6.922 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.108 5.525 10.036 1.00 0.00 H new ATOM 2162 N GLN A 143 -3.333 8.705 13.446 1.00 0.00 N ATOM 2163 CA GLN A 143 -3.645 9.875 14.207 1.00 0.00 C ATOM 2164 C GLN A 143 -2.816 10.153 15.414 1.00 0.00 C ATOM 2165 O GLN A 143 -2.710 11.315 15.802 1.00 0.00 O ATOM 2166 CB GLN A 143 -5.122 9.690 14.595 1.00 0.00 C ATOM 2167 CG GLN A 143 -5.604 10.775 15.560 1.00 0.00 C ATOM 2168 CD GLN A 143 -7.085 10.702 15.902 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -7.883 10.531 14.981 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -7.486 10.909 17.185 1.00 0.00 N ATOM 0 H GLN A 143 -3.989 7.930 13.543 1.00 0.00 H new ATOM 0 HA GLN A 143 -3.429 10.748 13.591 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.737 9.706 13.695 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.256 8.711 15.055 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.027 10.706 16.482 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -5.392 11.751 15.124 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -6.792 11.047 17.920 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.480 10.927 17.412 1.00 0.00 H new ATOM 2179 N MET A 144 -2.133 9.113 15.924 1.00 0.00 N ATOM 2180 CA MET A 144 -0.964 9.263 16.735 1.00 0.00 C ATOM 2181 C MET A 144 0.296 9.862 16.212 1.00 0.00 C ATOM 2182 O MET A 144 0.909 10.778 16.757 1.00 0.00 O ATOM 2183 CB MET A 144 -0.613 7.921 17.400 1.00 0.00 C ATOM 2184 CG MET A 144 0.328 7.978 18.604 1.00 0.00 C ATOM 2185 SD MET A 144 -0.417 8.746 20.074 1.00 0.00 S ATOM 2186 CE MET A 144 1.071 8.318 21.023 1.00 0.00 C ATOM 0 H MET A 144 -2.400 8.141 15.768 1.00 0.00 H new ATOM 0 HA MET A 144 -1.316 10.051 17.400 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.541 7.444 17.715 1.00 0.00 H new ATOM 0 HB3 MET A 144 -0.163 7.275 16.646 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.646 6.966 18.855 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.224 8.534 18.328 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.855 7.474 21.678 1.00 0.00 H new ATOM 0 HE2 MET A 144 1.875 8.049 20.338 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.378 9.174 21.624 1.00 0.00 H new ATOM 2196 N MET A 145 0.661 9.395 15.005 1.00 0.00 N ATOM 2197 CA MET A 145 1.695 10.015 14.237 1.00 0.00 C ATOM 2198 C MET A 145 1.423 11.380 13.705 1.00 0.00 C ATOM 2199 O MET A 145 2.280 12.254 13.824 1.00 0.00 O ATOM 2200 CB MET A 145 2.120 9.027 13.138 1.00 0.00 C ATOM 2201 CG MET A 145 2.797 7.848 13.839 1.00 0.00 C ATOM 2202 SD MET A 145 3.992 6.892 12.858 1.00 0.00 S ATOM 2203 CE MET A 145 5.011 6.138 14.159 1.00 0.00 C ATOM 0 H MET A 145 0.236 8.582 14.558 1.00 0.00 H new ATOM 0 HA MET A 145 2.511 10.223 14.930 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.256 8.691 12.565 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.804 9.502 12.434 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.309 8.226 14.724 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.020 7.167 14.187 1.00 0.00 H new ATOM 0 HE1 MET A 145 5.775 5.509 13.703 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.489 6.922 14.747 1.00 0.00 H new ATOM 0 HE3 MET A 145 4.381 5.531 14.809 1.00 0.00 H new