USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 792 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 29 CYS SG : rot 150:sc= 0.112 USER MOD Set 1.2: A 32 CYS SG : rot 76:sc= -0.145 USER MOD Set 2.1: A 7 THR OG1 : rot -160:sc= 0.585 USER MOD Set 2.2: A 9 GLN : amide:sc= -0.853 K(o=-0.27,f=0.36) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 15 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 16 SER OG : rot 88:sc= 1.2 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0.881 (180deg=0.769) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.772 K(o=0.77,f=-0.13) USER MOD Single : A 46 MET CE :methyl 177:sc=-0.00085 (180deg=-0.0105) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 3.65 (180deg=3.65) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.14) USER MOD Single : A 60 ASN : amide:sc= -0.701 K(o=-0.7,f=-9.1!) USER MOD Single : A 61 GLN : amide:sc= -0.911! C(o=-0.91!,f=-1.5!) USER MOD Single : A 63 THR OG1 : rot -160:sc= -0.124 USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.12) USER MOD Single : A 67 TYR OH : rot -141:sc= 0.825 USER MOD Single : A 70 MET CE :methyl 168:sc= 0 (180deg=-0.285) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 133:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= 2 (180deg=1.12) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 178:sc= 0.906 (180deg=0.898) USER MOD Single : A 93 LYS NZ :NH3+ 148:sc= 1.27 (180deg=0.649!) USER MOD Single : A 97 GLN : amide:sc= 0.0496 K(o=0.05,f=-0.72) USER MOD Single : A 101 ASN : amide:sc= 0.314 X(o=0.31,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 151:sc= 1.3 (180deg=0.78) USER MOD Single : A 103 HIS : no HE2:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 -0.982 -4.742 -3.845 1.00 0.00 N ATOM 31 CA ILE A 3 -2.414 -4.920 -4.039 1.00 0.00 C ATOM 32 C ILE A 3 -2.911 -5.998 -3.059 1.00 0.00 C ATOM 33 O ILE A 3 -2.155 -6.882 -2.642 1.00 0.00 O ATOM 34 CB ILE A 3 -2.646 -5.262 -5.533 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.233 -4.042 -6.391 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.095 -5.676 -5.850 1.00 0.00 C ATOM 37 CD1 ILE A 3 -2.322 -4.249 -7.901 1.00 0.00 C ATOM 0 HA ILE A 3 -2.990 -4.020 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.031 -6.130 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.864 -3.196 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.208 -3.770 -6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.185 -5.901 -6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.356 -6.560 -5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.771 -4.860 -5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.012 -3.338 -8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.668 -5.070 -8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.350 -4.487 -8.176 1.00 0.00 H new ATOM 49 N VAL A 4 -4.192 -5.928 -2.703 1.00 0.00 N ATOM 50 CA VAL A 4 -4.853 -6.771 -1.711 1.00 0.00 C ATOM 51 C VAL A 4 -5.893 -7.620 -2.460 1.00 0.00 C ATOM 52 O VAL A 4 -6.196 -7.363 -3.626 1.00 0.00 O ATOM 53 CB VAL A 4 -5.440 -5.857 -0.601 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.038 -6.630 0.586 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.375 -4.900 -0.029 1.00 0.00 C ATOM 0 H VAL A 4 -4.828 -5.248 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.178 -7.460 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.236 -5.306 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.428 -5.925 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.846 -7.270 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.264 -7.244 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.824 -4.277 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.558 -5.480 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.989 -4.266 -0.827 1.00 0.00 H new ATOM 65 N LYS A 5 -6.447 -8.644 -1.814 1.00 0.00 N ATOM 66 CA LYS A 5 -7.498 -9.502 -2.363 1.00 0.00 C ATOM 67 C LYS A 5 -8.580 -9.642 -1.304 1.00 0.00 C ATOM 68 O LYS A 5 -8.266 -9.640 -0.110 1.00 0.00 O ATOM 69 CB LYS A 5 -6.921 -10.882 -2.723 1.00 0.00 C ATOM 70 CG LYS A 5 -6.096 -10.863 -4.024 1.00 0.00 C ATOM 71 CD LYS A 5 -4.789 -11.662 -3.934 1.00 0.00 C ATOM 72 CE LYS A 5 -3.772 -10.929 -3.045 1.00 0.00 C ATOM 73 NZ LYS A 5 -2.473 -11.644 -2.969 1.00 0.00 N ATOM 0 H LYS A 5 -6.171 -8.908 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.912 -9.065 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.292 -11.233 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.738 -11.597 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.703 -11.265 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.863 -9.830 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.989 -12.653 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.373 -11.805 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.609 -9.924 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.183 -10.819 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.819 -11.113 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.622 -12.594 -2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.066 -11.727 -3.923 1.00 0.00 H new ATOM 87 N ALA A 6 -9.834 -9.777 -1.728 1.00 0.00 N ATOM 88 CA ALA A 6 -10.966 -10.001 -0.837 1.00 0.00 C ATOM 89 C ALA A 6 -12.034 -10.845 -1.533 1.00 0.00 C ATOM 90 O ALA A 6 -11.981 -11.043 -2.750 1.00 0.00 O ATOM 91 CB ALA A 6 -11.552 -8.653 -0.394 1.00 0.00 C ATOM 0 H ALA A 6 -10.094 -9.733 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.622 -10.544 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.398 -8.825 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.788 -8.079 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.887 -8.096 -1.269 1.00 0.00 H new ATOM 97 N THR A 7 -13.024 -11.302 -0.765 1.00 0.00 N ATOM 98 CA THR A 7 -14.223 -11.961 -1.267 1.00 0.00 C ATOM 99 C THR A 7 -15.431 -11.377 -0.520 1.00 0.00 C ATOM 100 O THR A 7 -15.227 -10.615 0.426 1.00 0.00 O ATOM 101 CB THR A 7 -14.098 -13.492 -1.112 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.966 -13.865 0.249 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.922 -14.098 -1.885 1.00 0.00 C ATOM 0 H THR A 7 -13.010 -11.220 0.252 1.00 0.00 H new ATOM 0 HA THR A 7 -14.357 -11.779 -2.333 1.00 0.00 H new ATOM 0 HB THR A 7 -15.022 -13.887 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.579 -14.764 0.306 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.900 -15.176 -1.727 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.039 -13.889 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.989 -13.660 -1.530 1.00 0.00 H new ATOM 111 N ASP A 8 -16.673 -11.742 -0.867 1.00 0.00 N ATOM 112 CA ASP A 8 -17.901 -11.271 -0.189 1.00 0.00 C ATOM 113 C ASP A 8 -17.815 -11.370 1.342 1.00 0.00 C ATOM 114 O ASP A 8 -18.384 -10.552 2.064 1.00 0.00 O ATOM 115 CB ASP A 8 -19.123 -12.087 -0.637 1.00 0.00 C ATOM 116 CG ASP A 8 -20.422 -11.520 -0.034 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.839 -10.398 -0.407 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.047 -12.211 0.802 1.00 0.00 O ATOM 0 H ASP A 8 -16.862 -12.383 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.005 -10.223 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.190 -12.079 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.001 -13.127 -0.333 1.00 0.00 H new ATOM 123 N GLN A 9 -17.064 -12.364 1.823 1.00 0.00 N ATOM 124 CA GLN A 9 -16.817 -12.657 3.225 1.00 0.00 C ATOM 125 C GLN A 9 -16.165 -11.481 3.974 1.00 0.00 C ATOM 126 O GLN A 9 -16.455 -11.298 5.159 1.00 0.00 O ATOM 127 CB GLN A 9 -15.922 -13.909 3.312 1.00 0.00 C ATOM 128 CG GLN A 9 -16.607 -15.250 2.975 1.00 0.00 C ATOM 129 CD GLN A 9 -17.285 -15.341 1.600 1.00 0.00 C ATOM 130 OE1 GLN A 9 -18.484 -15.590 1.506 1.00 0.00 O ATOM 131 NE2 GLN A 9 -16.565 -15.144 0.503 1.00 0.00 N ATOM 0 H GLN A 9 -16.588 -13.020 1.204 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.777 -12.834 3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.076 -13.775 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.517 -13.973 4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -15.861 -16.042 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.356 -15.453 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -15.569 -14.937 0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.008 -15.200 -0.414 1.00 0.00 H new ATOM 140 N SER A 10 -15.314 -10.688 3.310 1.00 0.00 N ATOM 141 CA SER A 10 -14.475 -9.675 3.967 1.00 0.00 C ATOM 142 C SER A 10 -14.297 -8.385 3.158 1.00 0.00 C ATOM 143 O SER A 10 -13.681 -7.440 3.652 1.00 0.00 O ATOM 144 CB SER A 10 -13.098 -10.282 4.289 1.00 0.00 C ATOM 145 OG SER A 10 -13.204 -11.529 4.963 1.00 0.00 O ATOM 0 H SER A 10 -15.187 -10.730 2.299 1.00 0.00 H new ATOM 0 HA SER A 10 -14.999 -9.387 4.878 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.538 -10.418 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.531 -9.585 4.906 1.00 0.00 H new ATOM 0 HG SER A 10 -12.307 -11.879 5.146 1.00 0.00 H new ATOM 151 N PHE A 11 -14.842 -8.309 1.940 1.00 0.00 N ATOM 152 CA PHE A 11 -14.760 -7.140 1.071 1.00 0.00 C ATOM 153 C PHE A 11 -15.251 -5.886 1.789 1.00 0.00 C ATOM 154 O PHE A 11 -14.671 -4.814 1.622 1.00 0.00 O ATOM 155 CB PHE A 11 -15.589 -7.407 -0.194 1.00 0.00 C ATOM 156 CG PHE A 11 -15.543 -6.310 -1.237 1.00 0.00 C ATOM 157 CD1 PHE A 11 -16.485 -5.262 -1.224 1.00 0.00 C ATOM 158 CD2 PHE A 11 -14.567 -6.354 -2.248 1.00 0.00 C ATOM 159 CE1 PHE A 11 -16.454 -4.275 -2.225 1.00 0.00 C ATOM 160 CE2 PHE A 11 -14.549 -5.380 -3.256 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.497 -4.341 -3.251 1.00 0.00 C ATOM 0 H PHE A 11 -15.365 -9.080 1.524 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.720 -6.966 0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -15.240 -8.334 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.627 -7.566 0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -17.231 -5.217 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.828 -7.142 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -17.167 -3.464 -2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.806 -5.428 -4.038 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.489 -3.597 -4.033 1.00 0.00 H new ATOM 171 N SER A 12 -16.291 -6.016 2.615 1.00 0.00 N ATOM 172 CA SER A 12 -16.858 -4.921 3.376 1.00 0.00 C ATOM 173 C SER A 12 -15.826 -4.343 4.337 1.00 0.00 C ATOM 174 O SER A 12 -15.538 -3.149 4.286 1.00 0.00 O ATOM 175 CB SER A 12 -18.113 -5.429 4.099 1.00 0.00 C ATOM 176 OG SER A 12 -17.904 -6.738 4.620 1.00 0.00 O ATOM 0 H SER A 12 -16.766 -6.905 2.771 1.00 0.00 H new ATOM 0 HA SER A 12 -17.147 -4.106 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.372 -4.748 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.957 -5.438 3.409 1.00 0.00 H new ATOM 0 HG SER A 12 -18.716 -7.041 5.078 1.00 0.00 H new ATOM 182 N ALA A 13 -15.223 -5.193 5.167 1.00 0.00 N ATOM 183 CA ALA A 13 -14.206 -4.781 6.123 1.00 0.00 C ATOM 184 C ALA A 13 -13.033 -4.118 5.397 1.00 0.00 C ATOM 185 O ALA A 13 -12.556 -3.064 5.820 1.00 0.00 O ATOM 186 CB ALA A 13 -13.737 -5.991 6.937 1.00 0.00 C ATOM 0 H ALA A 13 -15.430 -6.191 5.192 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.633 -4.049 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.976 -5.676 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.584 -6.418 7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.317 -6.740 6.266 1.00 0.00 H new ATOM 192 N GLU A 14 -12.593 -4.706 4.280 1.00 0.00 N ATOM 193 CA GLU A 14 -11.454 -4.209 3.521 1.00 0.00 C ATOM 194 C GLU A 14 -11.739 -2.844 2.903 1.00 0.00 C ATOM 195 O GLU A 14 -10.834 -2.008 2.853 1.00 0.00 O ATOM 196 CB GLU A 14 -11.056 -5.216 2.430 1.00 0.00 C ATOM 197 CG GLU A 14 -10.379 -6.459 3.026 1.00 0.00 C ATOM 198 CD GLU A 14 -9.000 -6.196 3.667 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.394 -5.128 3.427 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.517 -7.070 4.424 1.00 0.00 O ATOM 0 H GLU A 14 -13.021 -5.541 3.881 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.623 -4.090 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.942 -5.517 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.380 -4.737 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.039 -6.890 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.263 -7.205 2.240 1.00 0.00 H new ATOM 207 N THR A 15 -12.974 -2.590 2.467 1.00 0.00 N ATOM 208 CA THR A 15 -13.348 -1.340 1.827 1.00 0.00 C ATOM 209 C THR A 15 -13.734 -0.252 2.840 1.00 0.00 C ATOM 210 O THR A 15 -14.049 0.868 2.430 1.00 0.00 O ATOM 211 CB THR A 15 -14.411 -1.585 0.744 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.513 -2.329 1.218 1.00 0.00 O ATOM 213 CG2 THR A 15 -13.809 -2.317 -0.464 1.00 0.00 C ATOM 0 H THR A 15 -13.744 -3.254 2.551 1.00 0.00 H new ATOM 0 HA THR A 15 -12.469 -0.941 1.320 1.00 0.00 H new ATOM 0 HB THR A 15 -14.765 -0.598 0.448 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.296 -3.285 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.583 -2.477 -1.215 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.007 -1.715 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.409 -3.279 -0.144 1.00 0.00 H new ATOM 221 N SER A 16 -13.669 -0.537 4.148 1.00 0.00 N ATOM 222 CA SER A 16 -14.214 0.336 5.190 1.00 0.00 C ATOM 223 C SER A 16 -13.135 0.910 6.112 1.00 0.00 C ATOM 224 O SER A 16 -13.378 1.142 7.299 1.00 0.00 O ATOM 225 CB SER A 16 -15.333 -0.379 5.961 1.00 0.00 C ATOM 226 OG SER A 16 -16.363 -0.810 5.094 1.00 0.00 O ATOM 0 H SER A 16 -13.234 -1.385 4.512 1.00 0.00 H new ATOM 0 HA SER A 16 -14.653 1.202 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.920 -1.236 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.746 0.293 6.713 1.00 0.00 H new ATOM 0 HG SER A 16 -16.147 -1.700 4.746 1.00 0.00 H new ATOM 232 N GLU A 17 -11.939 1.151 5.572 1.00 0.00 N ATOM 233 CA GLU A 17 -10.831 1.752 6.318 1.00 0.00 C ATOM 234 C GLU A 17 -9.978 2.695 5.450 1.00 0.00 C ATOM 235 O GLU A 17 -8.853 3.033 5.826 1.00 0.00 O ATOM 236 CB GLU A 17 -10.019 0.649 7.025 1.00 0.00 C ATOM 237 CG GLU A 17 -9.466 -0.427 6.077 1.00 0.00 C ATOM 238 CD GLU A 17 -8.516 -1.413 6.779 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.718 -1.776 7.960 1.00 0.00 O ATOM 240 OE2 GLU A 17 -7.559 -1.865 6.110 1.00 0.00 O ATOM 0 H GLU A 17 -11.710 0.934 4.602 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.240 2.400 7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.188 1.110 7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.651 0.170 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.297 -0.980 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.937 0.057 5.256 1.00 0.00 H new ATOM 247 N GLY A 18 -10.492 3.146 4.299 1.00 0.00 N ATOM 248 CA GLY A 18 -9.815 4.131 3.464 1.00 0.00 C ATOM 249 C GLY A 18 -10.516 4.335 2.142 1.00 0.00 C ATOM 250 O GLY A 18 -11.653 3.894 1.960 1.00 0.00 O ATOM 0 H GLY A 18 -11.389 2.835 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.762 5.081 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.789 3.809 3.284 1.00 0.00 H new ATOM 254 N VAL A 19 -9.849 5.044 1.236 1.00 0.00 N ATOM 255 CA VAL A 19 -10.265 5.124 -0.150 1.00 0.00 C ATOM 256 C VAL A 19 -9.784 3.804 -0.761 1.00 0.00 C ATOM 257 O VAL A 19 -8.651 3.386 -0.500 1.00 0.00 O ATOM 258 CB VAL A 19 -9.633 6.355 -0.835 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.521 6.803 -2.008 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.427 7.561 0.100 1.00 0.00 C ATOM 0 H VAL A 19 -9.006 5.577 1.448 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.341 5.251 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.646 6.034 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.074 7.672 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.607 5.991 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.512 7.064 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.979 8.382 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.389 7.878 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.767 7.277 0.920 1.00 0.00 H new ATOM 270 N VAL A 20 -10.616 3.120 -1.540 1.00 0.00 N ATOM 271 CA VAL A 20 -10.302 1.790 -2.037 1.00 0.00 C ATOM 272 C VAL A 20 -10.767 1.695 -3.489 1.00 0.00 C ATOM 273 O VAL A 20 -11.856 2.160 -3.829 1.00 0.00 O ATOM 274 CB VAL A 20 -10.934 0.711 -1.122 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.463 -0.686 -1.552 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.593 0.913 0.370 1.00 0.00 C ATOM 0 H VAL A 20 -11.524 3.473 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.227 1.609 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.014 0.806 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.913 -1.437 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.764 -0.870 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.377 -0.743 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.064 0.127 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.512 0.871 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.962 1.884 0.699 1.00 0.00 H new ATOM 286 N LEU A 21 -9.947 1.075 -4.337 1.00 0.00 N ATOM 287 CA LEU A 21 -10.262 0.773 -5.725 1.00 0.00 C ATOM 288 C LEU A 21 -10.326 -0.745 -5.828 1.00 0.00 C ATOM 289 O LEU A 21 -9.298 -1.423 -5.900 1.00 0.00 O ATOM 290 CB LEU A 21 -9.185 1.360 -6.651 1.00 0.00 C ATOM 291 CG LEU A 21 -9.448 1.126 -8.150 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.651 1.945 -8.626 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.213 1.543 -8.951 1.00 0.00 C ATOM 0 H LEU A 21 -9.016 0.761 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.210 1.214 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.110 2.432 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.220 0.925 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.660 0.068 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.818 1.764 -9.688 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.537 1.650 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.456 3.005 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.396 1.379 -10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.006 2.599 -8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.356 0.949 -8.634 1.00 0.00 H new ATOM 305 N ALA A 22 -11.529 -1.299 -5.768 1.00 0.00 N ATOM 306 CA ALA A 22 -11.721 -2.700 -6.072 1.00 0.00 C ATOM 307 C ALA A 22 -11.660 -2.899 -7.585 1.00 0.00 C ATOM 308 O ALA A 22 -11.935 -1.980 -8.359 1.00 0.00 O ATOM 309 CB ALA A 22 -13.060 -3.169 -5.512 1.00 0.00 C ATOM 0 H ALA A 22 -12.380 -0.798 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.932 -3.294 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.201 -4.225 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.071 -3.029 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.866 -2.588 -5.961 1.00 0.00 H new ATOM 315 N ASP A 23 -11.357 -4.125 -7.992 1.00 0.00 N ATOM 316 CA ASP A 23 -11.297 -4.558 -9.377 1.00 0.00 C ATOM 317 C ASP A 23 -11.942 -5.936 -9.448 1.00 0.00 C ATOM 318 O ASP A 23 -11.347 -6.943 -9.043 1.00 0.00 O ATOM 319 CB ASP A 23 -9.850 -4.580 -9.879 1.00 0.00 C ATOM 320 CG ASP A 23 -9.734 -5.220 -11.271 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.636 -5.022 -12.115 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.705 -5.889 -11.520 1.00 0.00 O ATOM 0 H ASP A 23 -11.137 -4.875 -7.336 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.833 -3.864 -10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.463 -3.562 -9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.230 -5.132 -9.173 1.00 0.00 H new ATOM 327 N PHE A 24 -13.206 -5.944 -9.873 1.00 0.00 N ATOM 328 CA PHE A 24 -13.933 -7.147 -10.219 1.00 0.00 C ATOM 329 C PHE A 24 -13.363 -7.645 -11.539 1.00 0.00 C ATOM 330 O PHE A 24 -13.476 -6.959 -12.561 1.00 0.00 O ATOM 331 CB PHE A 24 -15.441 -6.876 -10.296 1.00 0.00 C ATOM 332 CG PHE A 24 -16.085 -6.814 -8.926 1.00 0.00 C ATOM 333 CD1 PHE A 24 -16.357 -8.010 -8.237 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.343 -5.576 -8.306 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.892 -7.976 -6.941 1.00 0.00 C ATOM 336 CE2 PHE A 24 -16.864 -5.543 -6.999 1.00 0.00 C ATOM 337 CZ PHE A 24 -17.133 -6.741 -6.315 1.00 0.00 C ATOM 0 H PHE A 24 -13.756 -5.093 -9.986 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.813 -7.914 -9.454 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.612 -5.935 -10.818 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.919 -7.659 -10.885 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -16.153 -8.960 -8.709 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.142 -4.655 -8.832 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -17.118 -8.897 -6.425 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.058 -4.594 -6.520 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.525 -6.713 -5.309 1.00 0.00 H new ATOM 347 N TRP A 25 -12.748 -8.827 -11.513 1.00 0.00 N ATOM 348 CA TRP A 25 -12.003 -9.376 -12.639 1.00 0.00 C ATOM 349 C TRP A 25 -12.317 -10.862 -12.811 1.00 0.00 C ATOM 350 O TRP A 25 -13.037 -11.441 -11.994 1.00 0.00 O ATOM 351 CB TRP A 25 -10.498 -9.130 -12.435 1.00 0.00 C ATOM 352 CG TRP A 25 -9.804 -10.018 -11.447 1.00 0.00 C ATOM 353 CD1 TRP A 25 -9.977 -9.983 -10.111 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.828 -11.080 -11.690 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.220 -10.965 -9.510 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.466 -11.655 -10.433 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.195 -11.607 -12.838 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.527 -12.691 -10.322 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.248 -12.643 -12.736 1.00 0.00 C ATOM 360 CH2 TRP A 25 -6.918 -13.192 -11.485 1.00 0.00 C ATOM 0 H TRP A 25 -12.755 -9.437 -10.696 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.306 -8.872 -13.557 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.001 -9.238 -13.399 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.361 -8.096 -12.120 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.616 -9.287 -9.588 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.218 -11.157 -8.508 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.442 -11.208 -13.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.275 -13.099 -9.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.770 -13.020 -13.628 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.199 -13.995 -11.418 1.00 0.00 H new ATOM 371 N ALA A 26 -11.774 -11.479 -13.865 1.00 0.00 N ATOM 372 CA ALA A 26 -11.775 -12.921 -14.067 1.00 0.00 C ATOM 373 C ALA A 26 -10.547 -13.282 -14.915 1.00 0.00 C ATOM 374 O ALA A 26 -10.174 -12.492 -15.788 1.00 0.00 O ATOM 375 CB ALA A 26 -13.060 -13.356 -14.780 1.00 0.00 C ATOM 0 H ALA A 26 -11.311 -10.971 -14.618 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.734 -13.436 -13.107 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.048 -14.436 -14.925 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.923 -13.081 -14.174 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.124 -12.861 -15.749 1.00 0.00 H new ATOM 381 N PRO A 27 -9.921 -14.454 -14.714 1.00 0.00 N ATOM 382 CA PRO A 27 -8.647 -14.789 -15.345 1.00 0.00 C ATOM 383 C PRO A 27 -8.781 -15.146 -16.828 1.00 0.00 C ATOM 384 O PRO A 27 -7.792 -15.087 -17.562 1.00 0.00 O ATOM 385 CB PRO A 27 -8.099 -15.966 -14.531 1.00 0.00 C ATOM 386 CG PRO A 27 -9.358 -16.660 -14.011 1.00 0.00 C ATOM 387 CD PRO A 27 -10.335 -15.505 -13.797 1.00 0.00 C ATOM 0 HA PRO A 27 -7.977 -13.930 -15.339 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.498 -16.635 -15.147 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.462 -15.627 -13.714 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.743 -17.385 -14.729 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.165 -17.201 -13.084 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.359 -15.818 -13.999 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.306 -15.156 -12.765 1.00 0.00 H new ATOM 395 N TRP A 28 -9.980 -15.503 -17.298 1.00 0.00 N ATOM 396 CA TRP A 28 -10.223 -15.811 -18.701 1.00 0.00 C ATOM 397 C TRP A 28 -10.445 -14.540 -19.539 1.00 0.00 C ATOM 398 O TRP A 28 -10.526 -14.628 -20.764 1.00 0.00 O ATOM 399 CB TRP A 28 -11.394 -16.803 -18.802 1.00 0.00 C ATOM 400 CG TRP A 28 -12.613 -16.546 -17.957 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.229 -15.356 -17.780 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.384 -17.503 -17.163 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.338 -15.513 -16.975 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.471 -16.814 -16.544 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.273 -18.886 -16.898 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.392 -17.461 -15.706 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -14.192 -19.546 -16.059 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.250 -18.836 -15.462 1.00 0.00 C ATOM 0 H TRP A 28 -10.809 -15.585 -16.710 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.336 -16.282 -19.124 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.712 -16.839 -19.844 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -11.015 -17.793 -18.549 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.901 -14.420 -18.206 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.980 -14.759 -16.730 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.468 -19.448 -17.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -16.201 -16.907 -15.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -14.084 -20.604 -15.873 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.950 -19.347 -14.818 1.00 0.00 H new ATOM 419 N CYS A 29 -10.546 -13.362 -18.906 1.00 0.00 N ATOM 420 CA CYS A 29 -10.763 -12.102 -19.598 1.00 0.00 C ATOM 421 C CYS A 29 -9.393 -11.483 -19.891 1.00 0.00 C ATOM 422 O CYS A 29 -8.623 -11.217 -18.966 1.00 0.00 O ATOM 423 CB CYS A 29 -11.642 -11.199 -18.722 1.00 0.00 C ATOM 424 SG CYS A 29 -12.001 -9.639 -19.580 1.00 0.00 S ATOM 0 H CYS A 29 -10.478 -13.266 -17.893 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.284 -12.241 -20.545 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.573 -11.711 -18.481 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.137 -10.994 -17.778 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.160 -9.191 -19.199 1.00 0.00 H new ATOM 430 N GLY A 30 -9.088 -11.249 -21.171 1.00 0.00 N ATOM 431 CA GLY A 30 -7.845 -10.619 -21.606 1.00 0.00 C ATOM 432 C GLY A 30 -7.648 -9.242 -20.967 1.00 0.00 C ATOM 433 O GLY A 30 -6.664 -9.059 -20.251 1.00 0.00 O ATOM 0 H GLY A 30 -9.708 -11.497 -21.942 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.003 -11.262 -21.349 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.850 -10.518 -22.691 1.00 0.00 H new ATOM 437 N PRO A 31 -8.573 -8.280 -21.148 1.00 0.00 N ATOM 438 CA PRO A 31 -8.496 -6.958 -20.534 1.00 0.00 C ATOM 439 C PRO A 31 -8.224 -6.955 -19.022 1.00 0.00 C ATOM 440 O PRO A 31 -7.467 -6.103 -18.558 1.00 0.00 O ATOM 441 CB PRO A 31 -9.814 -6.270 -20.892 1.00 0.00 C ATOM 442 CG PRO A 31 -10.144 -6.867 -22.257 1.00 0.00 C ATOM 443 CD PRO A 31 -9.651 -8.308 -22.132 1.00 0.00 C ATOM 0 HA PRO A 31 -7.628 -6.424 -20.922 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.593 -6.480 -20.159 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.705 -5.186 -20.939 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.212 -6.823 -22.469 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.637 -6.336 -23.063 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.456 -8.969 -21.811 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.294 -8.683 -23.091 1.00 0.00 H new ATOM 451 N CYS A 32 -8.765 -7.912 -18.253 1.00 0.00 N ATOM 452 CA CYS A 32 -8.463 -8.034 -16.822 1.00 0.00 C ATOM 453 C CYS A 32 -6.971 -8.268 -16.560 1.00 0.00 C ATOM 454 O CYS A 32 -6.428 -7.768 -15.575 1.00 0.00 O ATOM 455 CB CYS A 32 -9.241 -9.195 -16.193 1.00 0.00 C ATOM 456 SG CYS A 32 -11.013 -8.829 -16.103 1.00 0.00 S ATOM 0 H CYS A 32 -9.417 -8.615 -18.602 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.761 -7.087 -16.371 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.084 -10.100 -16.779 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.857 -9.393 -15.192 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.542 -8.952 -17.284 1.00 0.00 H new ATOM 462 N LYS A 33 -6.300 -9.033 -17.422 1.00 0.00 N ATOM 463 CA LYS A 33 -4.866 -9.277 -17.303 1.00 0.00 C ATOM 464 C LYS A 33 -4.089 -8.093 -17.871 1.00 0.00 C ATOM 465 O LYS A 33 -3.067 -7.723 -17.300 1.00 0.00 O ATOM 466 CB LYS A 33 -4.506 -10.602 -17.992 1.00 0.00 C ATOM 467 CG LYS A 33 -5.115 -11.784 -17.214 1.00 0.00 C ATOM 468 CD LYS A 33 -4.934 -13.143 -17.898 1.00 0.00 C ATOM 469 CE LYS A 33 -5.735 -13.222 -19.206 1.00 0.00 C ATOM 470 NZ LYS A 33 -5.926 -14.624 -19.648 1.00 0.00 N ATOM 0 H LYS A 33 -6.735 -9.498 -18.219 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.588 -9.371 -16.253 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.877 -10.601 -19.017 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.423 -10.711 -18.045 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.662 -11.825 -16.223 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.180 -11.601 -17.070 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.877 -13.310 -18.106 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.255 -13.937 -17.224 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.707 -12.749 -19.067 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.217 -12.662 -19.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.286 -14.634 -20.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.017 -15.127 -19.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.609 -15.095 -19.022 1.00 0.00 H new ATOM 484 N MET A 34 -4.579 -7.447 -18.932 1.00 0.00 N ATOM 485 CA MET A 34 -3.920 -6.278 -19.513 1.00 0.00 C ATOM 486 C MET A 34 -3.899 -5.106 -18.530 1.00 0.00 C ATOM 487 O MET A 34 -2.891 -4.406 -18.449 1.00 0.00 O ATOM 488 CB MET A 34 -4.599 -5.851 -20.823 1.00 0.00 C ATOM 489 CG MET A 34 -4.501 -6.922 -21.912 1.00 0.00 C ATOM 490 SD MET A 34 -2.819 -7.262 -22.504 1.00 0.00 S ATOM 491 CE MET A 34 -3.185 -8.584 -23.691 1.00 0.00 C ATOM 0 H MET A 34 -5.439 -7.719 -19.409 1.00 0.00 H new ATOM 0 HA MET A 34 -2.891 -6.564 -19.732 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.649 -5.630 -20.629 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.141 -4.930 -21.182 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.930 -7.848 -21.529 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.113 -6.614 -22.760 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.259 -8.921 -24.158 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.654 -9.420 -23.172 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.862 -8.207 -24.458 1.00 0.00 H new ATOM 501 N ILE A 35 -4.975 -4.885 -17.767 1.00 0.00 N ATOM 502 CA ILE A 35 -5.033 -3.796 -16.791 1.00 0.00 C ATOM 503 C ILE A 35 -4.224 -4.135 -15.523 1.00 0.00 C ATOM 504 O ILE A 35 -3.951 -3.242 -14.727 1.00 0.00 O ATOM 505 CB ILE A 35 -6.509 -3.390 -16.527 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.603 -1.946 -15.983 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.251 -4.400 -15.636 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.036 -1.458 -15.727 1.00 0.00 C ATOM 0 H ILE A 35 -5.822 -5.451 -17.809 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.547 -2.911 -17.201 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.023 -3.410 -17.488 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.039 -1.884 -15.052 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.123 -1.271 -16.692 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.278 -4.066 -15.485 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.255 -5.377 -16.119 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.747 -4.474 -14.672 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.010 -0.437 -15.347 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.601 -1.484 -16.659 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.515 -2.106 -14.993 1.00 0.00 H new ATOM 520 N ALA A 36 -3.811 -5.393 -15.314 1.00 0.00 N ATOM 521 CA ALA A 36 -3.094 -5.789 -14.101 1.00 0.00 C ATOM 522 C ALA A 36 -1.803 -4.980 -13.867 1.00 0.00 C ATOM 523 O ALA A 36 -1.690 -4.387 -12.794 1.00 0.00 O ATOM 524 CB ALA A 36 -2.853 -7.304 -14.066 1.00 0.00 C ATOM 0 H ALA A 36 -3.964 -6.155 -15.975 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.743 -5.542 -13.260 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.319 -7.566 -13.153 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.810 -7.825 -14.089 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.259 -7.598 -14.931 1.00 0.00 H new ATOM 530 N PRO A 37 -0.858 -4.852 -14.824 1.00 0.00 N ATOM 531 CA PRO A 37 0.324 -4.020 -14.616 1.00 0.00 C ATOM 532 C PRO A 37 -0.026 -2.535 -14.461 1.00 0.00 C ATOM 533 O PRO A 37 0.681 -1.816 -13.758 1.00 0.00 O ATOM 534 CB PRO A 37 1.241 -4.273 -15.819 1.00 0.00 C ATOM 535 CG PRO A 37 0.292 -4.785 -16.901 1.00 0.00 C ATOM 536 CD PRO A 37 -0.753 -5.552 -16.096 1.00 0.00 C ATOM 0 HA PRO A 37 0.821 -4.284 -13.683 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.750 -3.362 -16.132 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.014 -5.006 -15.586 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.154 -3.968 -17.468 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.804 -5.428 -17.617 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.712 -5.569 -16.614 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.451 -6.589 -15.949 1.00 0.00 H new ATOM 544 N VAL A 38 -1.119 -2.067 -15.071 1.00 0.00 N ATOM 545 CA VAL A 38 -1.579 -0.690 -14.940 1.00 0.00 C ATOM 546 C VAL A 38 -1.993 -0.440 -13.481 1.00 0.00 C ATOM 547 O VAL A 38 -1.615 0.571 -12.890 1.00 0.00 O ATOM 548 CB VAL A 38 -2.729 -0.417 -15.937 1.00 0.00 C ATOM 549 CG1 VAL A 38 -3.023 1.079 -16.042 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.414 -0.917 -17.359 1.00 0.00 C ATOM 0 H VAL A 38 -1.710 -2.640 -15.673 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.777 0.006 -15.187 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.588 -0.960 -15.542 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.836 1.241 -16.750 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.312 1.463 -15.064 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.131 1.602 -16.388 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.256 -0.699 -18.016 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.522 -0.414 -17.732 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.241 -1.993 -17.336 1.00 0.00 H new ATOM 560 N LEU A 39 -2.724 -1.383 -12.879 1.00 0.00 N ATOM 561 CA LEU A 39 -3.112 -1.318 -11.479 1.00 0.00 C ATOM 562 C LEU A 39 -1.901 -1.472 -10.565 1.00 0.00 C ATOM 563 O LEU A 39 -1.893 -0.850 -9.509 1.00 0.00 O ATOM 564 CB LEU A 39 -4.167 -2.387 -11.158 1.00 0.00 C ATOM 565 CG LEU A 39 -5.545 -2.069 -11.769 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.422 -3.322 -11.733 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.259 -0.930 -11.028 1.00 0.00 C ATOM 0 H LEU A 39 -3.063 -2.217 -13.359 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.548 -0.336 -11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.824 -3.352 -11.530 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.267 -2.479 -10.076 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.381 -1.746 -12.797 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.397 -3.096 -12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.945 -4.116 -12.307 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.550 -3.647 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.226 -0.742 -11.495 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.408 -1.211 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.651 -0.027 -11.077 1.00 0.00 H new ATOM 579 N GLU A 40 -0.880 -2.252 -10.933 1.00 0.00 N ATOM 580 CA GLU A 40 0.343 -2.325 -10.136 1.00 0.00 C ATOM 581 C GLU A 40 1.069 -0.979 -10.141 1.00 0.00 C ATOM 582 O GLU A 40 1.480 -0.512 -9.084 1.00 0.00 O ATOM 583 CB GLU A 40 1.277 -3.456 -10.586 1.00 0.00 C ATOM 584 CG GLU A 40 0.725 -4.841 -10.221 1.00 0.00 C ATOM 585 CD GLU A 40 1.689 -5.964 -10.645 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.622 -6.292 -9.877 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.514 -6.549 -11.738 1.00 0.00 O ATOM 0 H GLU A 40 -0.877 -2.835 -11.770 1.00 0.00 H new ATOM 0 HA GLU A 40 0.044 -2.559 -9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.423 -3.397 -11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.255 -3.323 -10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.554 -4.894 -9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.241 -4.988 -10.705 1.00 0.00 H new ATOM 594 N GLU A 41 1.184 -0.315 -11.294 1.00 0.00 N ATOM 595 CA GLU A 41 1.775 1.018 -11.365 1.00 0.00 C ATOM 596 C GLU A 41 0.977 1.992 -10.496 1.00 0.00 C ATOM 597 O GLU A 41 1.559 2.786 -9.755 1.00 0.00 O ATOM 598 CB GLU A 41 1.821 1.524 -12.816 1.00 0.00 C ATOM 599 CG GLU A 41 2.918 0.862 -13.663 1.00 0.00 C ATOM 600 CD GLU A 41 4.333 1.280 -13.222 1.00 0.00 C ATOM 601 OE1 GLU A 41 4.794 2.380 -13.605 1.00 0.00 O ATOM 602 OE2 GLU A 41 5.010 0.505 -12.511 1.00 0.00 O ATOM 0 H GLU A 41 0.873 -0.683 -12.193 1.00 0.00 H new ATOM 0 HA GLU A 41 2.797 0.958 -10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.854 1.345 -13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.978 2.603 -12.811 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.824 -0.222 -13.592 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.774 1.127 -14.710 1.00 0.00 H new ATOM 609 N LEU A 42 -0.355 1.908 -10.551 1.00 0.00 N ATOM 610 CA LEU A 42 -1.224 2.749 -9.748 1.00 0.00 C ATOM 611 C LEU A 42 -1.050 2.448 -8.257 1.00 0.00 C ATOM 612 O LEU A 42 -1.038 3.369 -7.452 1.00 0.00 O ATOM 613 CB LEU A 42 -2.679 2.530 -10.179 1.00 0.00 C ATOM 614 CG LEU A 42 -3.682 3.473 -9.492 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.499 4.932 -9.924 1.00 0.00 C ATOM 616 CD2 LEU A 42 -5.090 3.003 -9.858 1.00 0.00 C ATOM 0 H LEU A 42 -0.853 1.254 -11.155 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.955 3.793 -9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.752 2.663 -11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.960 1.499 -9.965 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.516 3.438 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.230 5.558 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.493 5.264 -9.667 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.643 5.013 -11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.825 3.654 -9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.216 3.040 -10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.234 1.980 -9.511 1.00 0.00 H new ATOM 628 N ASP A 43 -0.889 1.184 -7.872 1.00 0.00 N ATOM 629 CA ASP A 43 -0.678 0.760 -6.494 1.00 0.00 C ATOM 630 C ASP A 43 0.645 1.306 -5.964 1.00 0.00 C ATOM 631 O ASP A 43 0.701 1.812 -4.848 1.00 0.00 O ATOM 632 CB ASP A 43 -0.702 -0.770 -6.402 1.00 0.00 C ATOM 633 CG ASP A 43 0.037 -1.286 -5.162 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.530 -1.223 -4.050 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.179 -1.770 -5.331 1.00 0.00 O ATOM 0 H ASP A 43 -0.902 0.406 -8.531 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.485 1.159 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.736 -1.115 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.246 -1.194 -7.297 1.00 0.00 H new ATOM 640 N GLN A 44 1.703 1.275 -6.770 1.00 0.00 N ATOM 641 CA GLN A 44 2.984 1.844 -6.386 1.00 0.00 C ATOM 642 C GLN A 44 2.900 3.375 -6.229 1.00 0.00 C ATOM 643 O GLN A 44 3.674 3.955 -5.465 1.00 0.00 O ATOM 644 CB GLN A 44 4.038 1.429 -7.421 1.00 0.00 C ATOM 645 CG GLN A 44 4.355 -0.079 -7.415 1.00 0.00 C ATOM 646 CD GLN A 44 4.798 -0.618 -6.052 1.00 0.00 C ATOM 647 OE1 GLN A 44 5.929 -0.404 -5.617 1.00 0.00 O ATOM 648 NE2 GLN A 44 3.932 -1.331 -5.350 1.00 0.00 N ATOM 0 H GLN A 44 1.694 0.857 -7.700 1.00 0.00 H new ATOM 0 HA GLN A 44 3.275 1.457 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.690 1.714 -8.414 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.957 1.985 -7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.471 -0.627 -7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.140 -0.278 -8.145 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.996 -1.504 -5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.200 -1.708 -4.441 1.00 0.00 H new ATOM 657 N GLU A 45 1.964 4.029 -6.922 1.00 0.00 N ATOM 658 CA GLU A 45 1.794 5.480 -6.928 1.00 0.00 C ATOM 659 C GLU A 45 0.802 5.971 -5.860 1.00 0.00 C ATOM 660 O GLU A 45 0.956 7.078 -5.333 1.00 0.00 O ATOM 661 CB GLU A 45 1.310 5.868 -8.332 1.00 0.00 C ATOM 662 CG GLU A 45 1.232 7.383 -8.554 1.00 0.00 C ATOM 663 CD GLU A 45 1.039 7.715 -10.040 1.00 0.00 C ATOM 664 OE1 GLU A 45 -0.105 7.692 -10.536 1.00 0.00 O ATOM 665 OE2 GLU A 45 2.027 8.001 -10.750 1.00 0.00 O ATOM 0 H GLU A 45 1.285 3.547 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 45 2.745 5.954 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.982 5.434 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.325 5.433 -8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.406 7.796 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.144 7.855 -8.188 1.00 0.00 H new ATOM 672 N MET A 46 -0.207 5.164 -5.522 1.00 0.00 N ATOM 673 CA MET A 46 -1.352 5.575 -4.712 1.00 0.00 C ATOM 674 C MET A 46 -1.587 4.684 -3.494 1.00 0.00 C ATOM 675 O MET A 46 -2.352 5.093 -2.628 1.00 0.00 O ATOM 676 CB MET A 46 -2.627 5.631 -5.575 1.00 0.00 C ATOM 677 CG MET A 46 -2.633 6.779 -6.592 1.00 0.00 C ATOM 678 SD MET A 46 -2.757 8.424 -5.831 1.00 0.00 S ATOM 679 CE MET A 46 -3.082 9.433 -7.302 1.00 0.00 C ATOM 0 H MET A 46 -0.250 4.187 -5.811 1.00 0.00 H new ATOM 0 HA MET A 46 -1.114 6.569 -4.332 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.737 4.686 -6.107 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.493 5.732 -4.921 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.721 6.731 -7.187 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.469 6.641 -7.278 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.238 10.470 -7.005 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.230 9.374 -7.979 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.974 9.062 -7.808 1.00 0.00 H new ATOM 689 N GLY A 47 -0.928 3.529 -3.385 1.00 0.00 N ATOM 690 CA GLY A 47 -1.184 2.472 -2.398 1.00 0.00 C ATOM 691 C GLY A 47 -1.378 2.940 -0.948 1.00 0.00 C ATOM 692 O GLY A 47 -2.174 2.362 -0.207 1.00 0.00 O ATOM 0 H GLY A 47 -0.161 3.291 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.075 1.924 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.352 1.768 -2.424 1.00 0.00 H new ATOM 696 N ASP A 48 -0.657 3.987 -0.535 1.00 0.00 N ATOM 697 CA ASP A 48 -0.707 4.531 0.820 1.00 0.00 C ATOM 698 C ASP A 48 -1.977 5.354 1.048 1.00 0.00 C ATOM 699 O ASP A 48 -2.579 5.307 2.121 1.00 0.00 O ATOM 700 CB ASP A 48 0.515 5.424 1.068 1.00 0.00 C ATOM 701 CG ASP A 48 0.464 6.054 2.472 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.668 5.331 3.471 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.249 7.282 2.579 1.00 0.00 O ATOM 0 H ASP A 48 -0.012 4.487 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.708 3.690 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.427 4.836 0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.554 6.210 0.314 1.00 0.00 H new ATOM 708 N LYS A 49 -2.391 6.100 0.020 1.00 0.00 N ATOM 709 CA LYS A 49 -3.572 6.948 0.020 1.00 0.00 C ATOM 710 C LYS A 49 -4.819 6.127 -0.310 1.00 0.00 C ATOM 711 O LYS A 49 -5.917 6.502 0.104 1.00 0.00 O ATOM 712 CB LYS A 49 -3.392 8.067 -1.023 1.00 0.00 C ATOM 713 CG LYS A 49 -2.261 9.057 -0.667 1.00 0.00 C ATOM 714 CD LYS A 49 -1.632 9.734 -1.898 1.00 0.00 C ATOM 715 CE LYS A 49 -0.731 8.742 -2.656 1.00 0.00 C ATOM 716 NZ LYS A 49 -0.131 9.317 -3.888 1.00 0.00 N ATOM 0 H LYS A 49 -1.888 6.126 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.698 7.385 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.181 7.619 -1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.328 8.616 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.656 9.825 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.484 8.527 -0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.417 10.101 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.048 10.600 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.067 8.407 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.315 7.861 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.463 8.601 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.888 9.612 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.452 10.141 -3.638 1.00 0.00 H new ATOM 730 N LEU A 50 -4.663 5.032 -1.059 1.00 0.00 N ATOM 731 CA LEU A 50 -5.754 4.259 -1.624 1.00 0.00 C ATOM 732 C LEU A 50 -5.332 2.800 -1.774 1.00 0.00 C ATOM 733 O LEU A 50 -4.370 2.492 -2.475 1.00 0.00 O ATOM 734 CB LEU A 50 -6.188 4.886 -2.963 1.00 0.00 C ATOM 735 CG LEU A 50 -7.032 3.963 -3.878 1.00 0.00 C ATOM 736 CD1 LEU A 50 -8.388 4.595 -4.191 1.00 0.00 C ATOM 737 CD2 LEU A 50 -6.266 3.622 -5.162 1.00 0.00 C ATOM 0 H LEU A 50 -3.744 4.654 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.616 4.278 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.762 5.789 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.296 5.195 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.218 3.032 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.961 3.927 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.935 4.762 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.237 5.547 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.878 2.973 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.037 4.540 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.338 3.110 -4.907 1.00 0.00 H new ATOM 749 N LYS A 51 -6.088 1.904 -1.140 1.00 0.00 N ATOM 750 CA LYS A 51 -5.911 0.455 -1.259 1.00 0.00 C ATOM 751 C LYS A 51 -6.433 0.000 -2.625 1.00 0.00 C ATOM 752 O LYS A 51 -7.390 0.583 -3.132 1.00 0.00 O ATOM 753 CB LYS A 51 -6.685 -0.194 -0.099 1.00 0.00 C ATOM 754 CG LYS A 51 -6.526 -1.720 0.011 1.00 0.00 C ATOM 755 CD LYS A 51 -7.472 -2.323 1.059 1.00 0.00 C ATOM 756 CE LYS A 51 -7.198 -1.793 2.473 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.099 -2.414 3.460 1.00 0.00 N ATOM 0 H LYS A 51 -6.853 2.168 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.863 0.161 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.357 0.259 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.744 0.039 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.722 -2.176 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.495 -1.959 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.503 -2.100 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.369 -3.408 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.162 -1.995 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.327 -0.711 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.890 -2.036 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.086 -2.200 3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.957 -3.444 3.459 1.00 0.00 H new ATOM 771 N ILE A 52 -5.899 -1.085 -3.185 1.00 0.00 N ATOM 772 CA ILE A 52 -6.433 -1.701 -4.402 1.00 0.00 C ATOM 773 C ILE A 52 -6.761 -3.145 -4.033 1.00 0.00 C ATOM 774 O ILE A 52 -5.949 -3.789 -3.369 1.00 0.00 O ATOM 775 CB ILE A 52 -5.445 -1.537 -5.587 1.00 0.00 C ATOM 776 CG1 ILE A 52 -5.180 -0.024 -5.799 1.00 0.00 C ATOM 777 CG2 ILE A 52 -5.962 -2.230 -6.867 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.482 0.391 -7.097 1.00 0.00 C ATOM 0 H ILE A 52 -5.081 -1.564 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.341 -1.216 -4.759 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.504 -2.033 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.136 0.496 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.579 0.334 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.241 -2.091 -7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.093 -3.295 -6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.918 -1.793 -7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.360 1.474 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.503 -0.085 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.085 0.080 -7.950 1.00 0.00 H new ATOM 790 N VAL A 53 -7.941 -3.644 -4.421 1.00 0.00 N ATOM 791 CA VAL A 53 -8.449 -4.944 -3.972 1.00 0.00 C ATOM 792 C VAL A 53 -8.937 -5.738 -5.187 1.00 0.00 C ATOM 793 O VAL A 53 -9.925 -5.374 -5.825 1.00 0.00 O ATOM 794 CB VAL A 53 -9.578 -4.769 -2.925 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.047 -6.116 -2.357 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.169 -3.895 -1.730 1.00 0.00 C ATOM 0 H VAL A 53 -8.571 -3.155 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.645 -5.496 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.381 -4.278 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.839 -5.947 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.427 -6.740 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.209 -6.619 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.005 -3.814 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.318 -4.349 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.893 -2.902 -2.083 1.00 0.00 H new ATOM 806 N LYS A 54 -8.264 -6.838 -5.515 1.00 0.00 N ATOM 807 CA LYS A 54 -8.747 -7.778 -6.524 1.00 0.00 C ATOM 808 C LYS A 54 -9.904 -8.586 -5.955 1.00 0.00 C ATOM 809 O LYS A 54 -9.853 -8.990 -4.789 1.00 0.00 O ATOM 810 CB LYS A 54 -7.607 -8.727 -6.921 1.00 0.00 C ATOM 811 CG LYS A 54 -6.481 -8.047 -7.700 1.00 0.00 C ATOM 812 CD LYS A 54 -6.995 -7.517 -9.039 1.00 0.00 C ATOM 813 CE LYS A 54 -5.820 -7.083 -9.909 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.218 -6.998 -11.335 1.00 0.00 N ATOM 0 H LYS A 54 -7.374 -7.102 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.087 -7.228 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.192 -9.178 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.015 -9.538 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.069 -7.227 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.670 -8.755 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.571 -8.289 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.667 -6.675 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.452 -6.114 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.999 -7.792 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.627 -6.293 -11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.090 -7.926 -11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.217 -6.716 -11.400 1.00 0.00 H new ATOM 828 N ILE A 55 -10.900 -8.887 -6.789 1.00 0.00 N ATOM 829 CA ILE A 55 -11.994 -9.775 -6.421 1.00 0.00 C ATOM 830 C ILE A 55 -12.504 -10.493 -7.688 1.00 0.00 C ATOM 831 O ILE A 55 -12.852 -9.860 -8.684 1.00 0.00 O ATOM 832 CB ILE A 55 -13.038 -8.972 -5.600 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.230 -9.870 -5.230 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.464 -7.644 -6.256 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.060 -9.332 -4.058 1.00 0.00 C ATOM 0 H ILE A 55 -10.967 -8.520 -7.738 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.687 -10.582 -5.756 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.548 -8.662 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.875 -9.981 -6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.861 -10.864 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.195 -7.143 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.591 -7.003 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.908 -7.846 -7.231 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.884 -10.015 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.429 -9.247 -3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.458 -8.350 -4.315 1.00 0.00 H new ATOM 847 N ASP A 56 -12.464 -11.828 -7.691 1.00 0.00 N ATOM 848 CA ASP A 56 -12.793 -12.652 -8.863 1.00 0.00 C ATOM 849 C ASP A 56 -14.298 -12.913 -8.893 1.00 0.00 C ATOM 850 O ASP A 56 -14.815 -13.545 -7.966 1.00 0.00 O ATOM 851 CB ASP A 56 -12.018 -13.978 -8.797 1.00 0.00 C ATOM 852 CG ASP A 56 -12.321 -14.961 -9.949 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.180 -14.689 -10.817 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.667 -16.029 -9.976 1.00 0.00 O ATOM 0 H ASP A 56 -12.200 -12.376 -6.872 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.507 -12.127 -9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.950 -13.759 -8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.244 -14.468 -7.850 1.00 0.00 H new ATOM 859 N VAL A 57 -15.011 -12.439 -9.920 1.00 0.00 N ATOM 860 CA VAL A 57 -16.468 -12.575 -10.011 1.00 0.00 C ATOM 861 C VAL A 57 -16.929 -14.037 -9.983 1.00 0.00 C ATOM 862 O VAL A 57 -18.028 -14.306 -9.500 1.00 0.00 O ATOM 863 CB VAL A 57 -17.048 -11.846 -11.246 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.848 -10.330 -11.145 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.483 -12.345 -12.585 1.00 0.00 C ATOM 0 H VAL A 57 -14.594 -11.950 -10.712 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.864 -12.091 -9.118 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.112 -12.082 -11.237 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.267 -9.848 -12.028 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.352 -9.955 -10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.783 -10.107 -11.081 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.938 -11.786 -13.403 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.403 -12.198 -12.602 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.707 -13.405 -12.702 1.00 0.00 H new ATOM 875 N ASP A 58 -16.110 -14.989 -10.440 1.00 0.00 N ATOM 876 CA ASP A 58 -16.497 -16.404 -10.498 1.00 0.00 C ATOM 877 C ASP A 58 -16.559 -17.043 -9.102 1.00 0.00 C ATOM 878 O ASP A 58 -17.048 -18.160 -8.942 1.00 0.00 O ATOM 879 CB ASP A 58 -15.538 -17.172 -11.415 1.00 0.00 C ATOM 880 CG ASP A 58 -16.007 -18.618 -11.657 1.00 0.00 C ATOM 881 OD1 ASP A 58 -17.127 -18.818 -12.181 1.00 0.00 O ATOM 882 OD2 ASP A 58 -15.233 -19.565 -11.382 1.00 0.00 O ATOM 0 H ASP A 58 -15.166 -14.804 -10.778 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.503 -16.460 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.455 -16.653 -12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.543 -17.183 -10.971 1.00 0.00 H new ATOM 887 N GLU A 59 -16.111 -16.318 -8.074 1.00 0.00 N ATOM 888 CA GLU A 59 -16.202 -16.701 -6.669 1.00 0.00 C ATOM 889 C GLU A 59 -16.947 -15.622 -5.863 1.00 0.00 C ATOM 890 O GLU A 59 -17.084 -15.755 -4.647 1.00 0.00 O ATOM 891 CB GLU A 59 -14.781 -16.928 -6.116 1.00 0.00 C ATOM 892 CG GLU A 59 -14.036 -18.119 -6.744 1.00 0.00 C ATOM 893 CD GLU A 59 -14.705 -19.490 -6.506 1.00 0.00 C ATOM 894 OE1 GLU A 59 -15.374 -19.698 -5.468 1.00 0.00 O ATOM 895 OE2 GLU A 59 -14.516 -20.407 -7.338 1.00 0.00 O ATOM 0 H GLU A 59 -15.658 -15.414 -8.206 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.769 -17.627 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.194 -16.023 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.844 -17.082 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.950 -17.952 -7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.022 -18.149 -6.344 1.00 0.00 H new ATOM 902 N ASN A 60 -17.434 -14.557 -6.517 1.00 0.00 N ATOM 903 CA ASN A 60 -17.951 -13.345 -5.871 1.00 0.00 C ATOM 904 C ASN A 60 -19.094 -12.743 -6.675 1.00 0.00 C ATOM 905 O ASN A 60 -19.232 -11.523 -6.785 1.00 0.00 O ATOM 906 CB ASN A 60 -16.820 -12.329 -5.679 1.00 0.00 C ATOM 907 CG ASN A 60 -15.818 -12.852 -4.674 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.074 -12.826 -3.478 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.687 -13.361 -5.138 1.00 0.00 N ATOM 0 H ASN A 60 -17.480 -14.515 -7.535 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.345 -13.615 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.326 -12.139 -6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.229 -11.378 -5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.998 -13.747 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.504 -13.367 -6.142 1.00 0.00 H new ATOM 916 N GLN A 61 -19.913 -13.609 -7.267 1.00 0.00 N ATOM 917 CA GLN A 61 -21.124 -13.214 -7.962 1.00 0.00 C ATOM 918 C GLN A 61 -22.060 -12.454 -7.009 1.00 0.00 C ATOM 919 O GLN A 61 -22.769 -11.546 -7.435 1.00 0.00 O ATOM 920 CB GLN A 61 -21.794 -14.429 -8.633 1.00 0.00 C ATOM 921 CG GLN A 61 -22.018 -15.670 -7.749 1.00 0.00 C ATOM 922 CD GLN A 61 -20.783 -16.572 -7.631 1.00 0.00 C ATOM 923 OE1 GLN A 61 -20.410 -17.257 -8.577 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.114 -16.596 -6.485 1.00 0.00 N ATOM 0 H GLN A 61 -19.748 -14.615 -7.275 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.870 -12.526 -8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.760 -14.111 -9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -21.185 -14.725 -9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.317 -15.346 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.845 -16.252 -8.157 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.427 -16.025 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.287 -17.185 -6.389 1.00 0.00 H new ATOM 933 N GLU A 62 -22.011 -12.781 -5.713 1.00 0.00 N ATOM 934 CA GLU A 62 -22.735 -12.112 -4.650 1.00 0.00 C ATOM 935 C GLU A 62 -22.283 -10.655 -4.557 1.00 0.00 C ATOM 936 O GLU A 62 -23.110 -9.746 -4.641 1.00 0.00 O ATOM 937 CB GLU A 62 -22.476 -12.822 -3.306 1.00 0.00 C ATOM 938 CG GLU A 62 -23.005 -14.264 -3.211 1.00 0.00 C ATOM 939 CD GLU A 62 -22.125 -15.337 -3.887 1.00 0.00 C ATOM 940 OE1 GLU A 62 -21.038 -15.021 -4.423 1.00 0.00 O ATOM 941 OE2 GLU A 62 -22.535 -16.520 -3.898 1.00 0.00 O ATOM 0 H GLU A 62 -21.439 -13.553 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.802 -12.147 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.402 -12.834 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -22.930 -12.233 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.120 -14.523 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.999 -14.299 -3.658 1.00 0.00 H new ATOM 948 N THR A 63 -20.979 -10.417 -4.401 1.00 0.00 N ATOM 949 CA THR A 63 -20.450 -9.081 -4.183 1.00 0.00 C ATOM 950 C THR A 63 -20.609 -8.241 -5.444 1.00 0.00 C ATOM 951 O THR A 63 -21.046 -7.101 -5.355 1.00 0.00 O ATOM 952 CB THR A 63 -18.973 -9.116 -3.756 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.573 -10.418 -3.378 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.704 -8.149 -2.605 1.00 0.00 C ATOM 0 H THR A 63 -20.267 -11.147 -4.423 1.00 0.00 H new ATOM 0 HA THR A 63 -21.020 -8.628 -3.372 1.00 0.00 H new ATOM 0 HB THR A 63 -18.389 -8.807 -4.623 1.00 0.00 H new ATOM 0 HG1 THR A 63 -17.765 -10.365 -2.826 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.651 -8.198 -2.327 1.00 0.00 H new ATOM 0 HG22 THR A 63 -18.950 -7.134 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.319 -8.424 -1.748 1.00 0.00 H new ATOM 962 N ALA A 64 -20.306 -8.789 -6.621 1.00 0.00 N ATOM 963 CA ALA A 64 -20.444 -8.047 -7.861 1.00 0.00 C ATOM 964 C ALA A 64 -21.920 -7.678 -8.079 1.00 0.00 C ATOM 965 O ALA A 64 -22.247 -6.514 -8.327 1.00 0.00 O ATOM 966 CB ALA A 64 -19.879 -8.899 -9.002 1.00 0.00 C ATOM 0 H ALA A 64 -19.964 -9.743 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.883 -7.113 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.974 -8.357 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.827 -9.112 -8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.433 -9.836 -9.065 1.00 0.00 H new ATOM 972 N GLY A 65 -22.824 -8.642 -7.870 1.00 0.00 N ATOM 973 CA GLY A 65 -24.263 -8.439 -7.934 1.00 0.00 C ATOM 974 C GLY A 65 -24.759 -7.396 -6.929 1.00 0.00 C ATOM 975 O GLY A 65 -25.761 -6.731 -7.193 1.00 0.00 O ATOM 0 H GLY A 65 -22.563 -9.603 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.537 -8.126 -8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.768 -9.387 -7.747 1.00 0.00 H new ATOM 979 N LYS A 66 -24.037 -7.179 -5.822 1.00 0.00 N ATOM 980 CA LYS A 66 -24.344 -6.155 -4.818 1.00 0.00 C ATOM 981 C LYS A 66 -24.345 -4.749 -5.434 1.00 0.00 C ATOM 982 O LYS A 66 -25.024 -3.864 -4.911 1.00 0.00 O ATOM 983 CB LYS A 66 -23.335 -6.255 -3.655 1.00 0.00 C ATOM 984 CG LYS A 66 -23.932 -5.885 -2.289 1.00 0.00 C ATOM 985 CD LYS A 66 -22.868 -5.787 -1.178 1.00 0.00 C ATOM 986 CE LYS A 66 -21.923 -6.995 -1.030 1.00 0.00 C ATOM 987 NZ LYS A 66 -22.604 -8.246 -0.606 1.00 0.00 N ATOM 0 H LYS A 66 -23.205 -7.723 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.348 -6.333 -4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.946 -7.272 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.489 -5.600 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.453 -4.931 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.676 -6.631 -2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.263 -4.899 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.379 -5.634 -0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.422 -7.171 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.148 -6.751 -0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.895 -8.990 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.130 -8.074 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.264 -8.551 -1.349 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.642 -4.553 -6.557 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.556 -3.287 -7.288 1.00 0.00 C ATOM 1003 C TYR A 67 -24.112 -3.436 -8.716 1.00 0.00 C ATOM 1004 O TYR A 67 -23.921 -2.548 -9.548 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.098 -2.784 -7.292 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.346 -3.054 -6.004 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.698 -2.386 -4.817 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.382 -4.079 -5.973 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.110 -2.760 -3.596 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -19.797 -4.464 -4.759 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.169 -3.814 -3.559 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.670 -4.219 -2.358 1.00 0.00 O ATOM 0 H TYR A 67 -23.100 -5.298 -6.994 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.172 -2.543 -6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.565 -3.256 -8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.096 -1.711 -7.483 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.421 -1.584 -4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.092 -4.571 -6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.377 -2.242 -2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.063 -5.256 -4.740 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.718 -4.429 -2.454 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.780 -4.557 -9.019 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.306 -4.866 -10.344 1.00 0.00 C ATOM 1024 C GLY A 68 -24.213 -5.138 -11.383 1.00 0.00 C ATOM 1025 O GLY A 68 -24.467 -5.018 -12.583 1.00 0.00 O ATOM 0 H GLY A 68 -24.971 -5.286 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -25.956 -5.738 -10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -25.923 -4.035 -10.685 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.000 -5.481 -10.944 1.00 0.00 N ATOM 1030 CA VAL A 69 -21.877 -5.822 -11.808 1.00 0.00 C ATOM 1031 C VAL A 69 -21.919 -7.332 -12.045 1.00 0.00 C ATOM 1032 O VAL A 69 -22.084 -8.107 -11.104 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.560 -5.373 -11.131 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.313 -5.795 -11.923 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.530 -3.840 -10.971 1.00 0.00 C ATOM 0 H VAL A 69 -22.770 -5.529 -9.951 1.00 0.00 H new ATOM 0 HA VAL A 69 -21.935 -5.313 -12.770 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.537 -5.865 -10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.418 -5.454 -11.402 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.289 -6.881 -12.012 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.346 -5.350 -12.917 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.597 -3.542 -10.493 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.601 -3.370 -11.952 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.371 -3.522 -10.355 1.00 0.00 H new ATOM 1045 N MET A 70 -21.760 -7.749 -13.302 1.00 0.00 N ATOM 1046 CA MET A 70 -21.504 -9.142 -13.671 1.00 0.00 C ATOM 1047 C MET A 70 -20.769 -9.192 -15.023 1.00 0.00 C ATOM 1048 O MET A 70 -20.930 -10.126 -15.810 1.00 0.00 O ATOM 1049 CB MET A 70 -22.794 -9.991 -13.619 1.00 0.00 C ATOM 1050 CG MET A 70 -22.467 -11.465 -13.330 1.00 0.00 C ATOM 1051 SD MET A 70 -21.660 -11.761 -11.723 1.00 0.00 S ATOM 1052 CE MET A 70 -20.862 -13.353 -12.052 1.00 0.00 C ATOM 0 H MET A 70 -21.806 -7.120 -14.103 1.00 0.00 H new ATOM 0 HA MET A 70 -20.843 -9.601 -12.936 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.459 -9.603 -12.847 1.00 0.00 H new ATOM 0 HB3 MET A 70 -23.326 -9.911 -14.567 1.00 0.00 H new ATOM 0 HG2 MET A 70 -23.390 -12.043 -13.370 1.00 0.00 H new ATOM 0 HG3 MET A 70 -21.820 -11.842 -14.122 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.155 -13.577 -11.254 1.00 0.00 H new ATOM 0 HE2 MET A 70 -21.618 -14.137 -12.098 1.00 0.00 H new ATOM 0 HE3 MET A 70 -20.332 -13.305 -13.003 1.00 0.00 H new ATOM 1062 N SER A 71 -19.965 -8.159 -15.295 1.00 0.00 N ATOM 1063 CA SER A 71 -19.060 -8.046 -16.427 1.00 0.00 C ATOM 1064 C SER A 71 -17.735 -7.508 -15.883 1.00 0.00 C ATOM 1065 O SER A 71 -17.717 -6.894 -14.810 1.00 0.00 O ATOM 1066 CB SER A 71 -19.648 -7.110 -17.494 1.00 0.00 C ATOM 1067 OG SER A 71 -20.921 -7.556 -17.941 1.00 0.00 O ATOM 0 H SER A 71 -19.932 -7.337 -14.693 1.00 0.00 H new ATOM 0 HA SER A 71 -18.908 -9.012 -16.908 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.738 -6.104 -17.085 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.965 -7.050 -18.342 1.00 0.00 H new ATOM 0 HG SER A 71 -21.266 -6.936 -18.618 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.630 -7.752 -16.587 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.279 -7.485 -16.102 1.00 0.00 C ATOM 1075 C ILE A 72 -14.379 -7.035 -17.270 1.00 0.00 C ATOM 1076 O ILE A 72 -14.685 -7.385 -18.414 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.700 -8.730 -15.382 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.391 -9.967 -16.260 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.522 -9.125 -14.144 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.575 -10.778 -16.804 1.00 0.00 C ATOM 0 H ILE A 72 -16.651 -8.148 -17.527 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.316 -6.676 -15.373 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.717 -8.379 -15.068 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.796 -9.633 -17.110 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.764 -10.642 -15.678 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -15.076 -10.002 -13.676 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.530 -8.298 -13.433 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.544 -9.355 -14.444 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.202 -11.611 -17.399 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.166 -11.162 -15.972 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.199 -10.137 -17.427 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.255 -6.330 -17.025 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.863 -5.738 -15.750 1.00 0.00 C ATOM 1094 C PRO A 73 -13.814 -4.596 -15.396 1.00 0.00 C ATOM 1095 O PRO A 73 -14.137 -3.768 -16.253 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.428 -5.231 -15.931 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.288 -5.017 -17.437 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.281 -6.002 -18.054 1.00 0.00 C ATOM 0 HA PRO A 73 -12.911 -6.460 -14.935 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.261 -4.305 -15.381 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.701 -5.955 -15.563 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.522 -3.990 -17.716 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.270 -5.215 -17.774 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.772 -5.561 -18.922 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.768 -6.900 -18.399 1.00 0.00 H new ATOM 1106 N THR A 74 -14.222 -4.542 -14.133 1.00 0.00 N ATOM 1107 CA THR A 74 -15.072 -3.491 -13.607 1.00 0.00 C ATOM 1108 C THR A 74 -14.438 -3.019 -12.309 1.00 0.00 C ATOM 1109 O THR A 74 -14.314 -3.765 -11.336 1.00 0.00 O ATOM 1110 CB THR A 74 -16.518 -3.977 -13.439 1.00 0.00 C ATOM 1111 OG1 THR A 74 -17.054 -4.311 -14.702 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.393 -2.886 -12.814 1.00 0.00 C ATOM 0 H THR A 74 -13.964 -5.242 -13.437 1.00 0.00 H new ATOM 0 HA THR A 74 -15.142 -2.651 -14.298 1.00 0.00 H new ATOM 0 HB THR A 74 -16.509 -4.848 -12.784 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.503 -5.180 -14.647 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.413 -3.255 -12.706 1.00 0.00 H new ATOM 0 HG22 THR A 74 -16.997 -2.619 -11.834 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.392 -2.006 -13.457 1.00 0.00 H new ATOM 1120 N LEU A 75 -13.984 -1.774 -12.328 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.428 -1.111 -11.173 1.00 0.00 C ATOM 1122 C LEU A 75 -14.592 -0.577 -10.350 1.00 0.00 C ATOM 1123 O LEU A 75 -15.599 -0.122 -10.898 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.495 0.028 -11.607 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.295 -0.421 -12.468 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.451 0.793 -12.856 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.402 -1.446 -11.764 1.00 0.00 C ATOM 0 H LEU A 75 -13.995 -1.192 -13.165 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.834 -1.805 -10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.074 0.762 -12.168 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.119 0.532 -10.717 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.710 -0.903 -13.353 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.606 0.469 -13.463 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.061 1.493 -13.427 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.083 1.284 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.577 -1.722 -12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.006 -1.013 -10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.987 -2.334 -11.524 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.426 -0.589 -9.034 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.397 -0.117 -8.063 1.00 0.00 C ATOM 1141 C LEU A 76 -14.605 0.815 -7.165 1.00 0.00 C ATOM 1142 O LEU A 76 -13.577 0.405 -6.628 1.00 0.00 O ATOM 1143 CB LEU A 76 -15.974 -1.312 -7.269 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.498 -1.506 -7.325 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -18.236 -0.339 -6.670 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -17.979 -1.740 -8.759 1.00 0.00 C ATOM 0 H LEU A 76 -13.574 -0.943 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.249 0.387 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.501 -2.224 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -15.683 -1.199 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.734 -2.402 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -19.311 -0.510 -6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.937 -0.260 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.987 0.586 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.061 -1.873 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -17.717 -0.880 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -17.502 -2.634 -9.162 1.00 0.00 H new ATOM 1158 N VAL A 77 -15.044 2.058 -7.012 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.345 3.030 -6.194 1.00 0.00 C ATOM 1160 C VAL A 77 -15.212 3.162 -4.959 1.00 0.00 C ATOM 1161 O VAL A 77 -16.410 3.445 -5.073 1.00 0.00 O ATOM 1162 CB VAL A 77 -14.149 4.376 -6.920 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -13.071 5.210 -6.207 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.746 4.230 -8.396 1.00 0.00 C ATOM 0 H VAL A 77 -15.892 2.416 -7.451 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.330 2.713 -5.954 1.00 0.00 H new ATOM 0 HB VAL A 77 -15.120 4.871 -6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.941 6.158 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.379 5.400 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.128 4.663 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.626 5.218 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.804 3.685 -8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.521 3.683 -8.932 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.614 2.937 -3.794 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.265 3.046 -2.500 1.00 0.00 C ATOM 1176 C LEU A 78 -14.425 3.970 -1.623 1.00 0.00 C ATOM 1177 O LEU A 78 -13.233 4.167 -1.871 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.440 1.670 -1.821 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.338 0.673 -2.588 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.510 -0.283 -3.456 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.198 -0.157 -1.627 1.00 0.00 C ATOM 0 H LEU A 78 -13.633 2.666 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.266 3.454 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.456 1.220 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.859 1.823 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.984 1.272 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.176 -0.969 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.936 0.291 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.829 -0.852 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.818 -0.848 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.551 -0.720 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.837 0.507 -1.045 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.025 4.521 -0.571 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.344 5.336 0.418 1.00 0.00 C ATOM 1195 C LYS A 79 -15.037 5.118 1.748 1.00 0.00 C ATOM 1196 O LYS A 79 -16.259 5.250 1.815 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.389 6.807 -0.017 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.523 7.699 0.884 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.475 9.122 0.314 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.417 9.983 1.018 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.255 11.290 0.343 1.00 0.00 N ATOM 0 H LYS A 79 -16.021 4.408 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.294 5.058 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.046 6.891 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.420 7.161 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.931 7.716 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.515 7.291 0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.257 9.079 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.454 9.590 0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.705 10.141 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.463 9.455 1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.293 11.649 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.412 11.175 -0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.947 11.966 0.725 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.260 4.785 2.782 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.730 4.547 4.151 1.00 0.00 C ATOM 1217 C ASP A 80 -16.030 3.717 4.214 1.00 0.00 C ATOM 1218 O ASP A 80 -16.924 3.977 5.023 1.00 0.00 O ATOM 1219 CB ASP A 80 -14.811 5.888 4.902 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.084 5.713 6.408 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.428 4.868 7.056 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -15.910 6.470 6.968 1.00 0.00 O ATOM 0 H ASP A 80 -13.251 4.669 2.687 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.002 3.918 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.876 6.432 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.600 6.498 4.463 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.156 2.717 3.333 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.225 1.727 3.374 1.00 0.00 C ATOM 1229 C GLY A 81 -18.430 2.051 2.493 1.00 0.00 C ATOM 1230 O GLY A 81 -19.418 1.318 2.547 1.00 0.00 O ATOM 0 H GLY A 81 -15.504 2.576 2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.819 0.762 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.564 1.621 4.405 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.375 3.102 1.669 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.438 3.450 0.729 1.00 0.00 C ATOM 1236 C GLU A 82 -18.864 3.466 -0.679 1.00 0.00 C ATOM 1237 O GLU A 82 -17.732 3.901 -0.877 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.010 4.842 1.041 1.00 0.00 C ATOM 1239 CG GLU A 82 -20.708 4.947 2.400 1.00 0.00 C ATOM 1240 CD GLU A 82 -21.888 3.971 2.587 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -22.660 3.729 1.632 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -22.086 3.470 3.718 1.00 0.00 O ATOM 0 H GLU A 82 -17.580 3.741 1.638 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.236 2.712 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.201 5.571 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.719 5.114 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -19.975 4.767 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -21.071 5.966 2.531 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.645 3.018 -1.658 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.331 3.178 -3.073 1.00 0.00 C ATOM 1251 C VAL A 83 -19.413 4.667 -3.389 1.00 0.00 C ATOM 1252 O VAL A 83 -20.329 5.366 -2.942 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.291 2.336 -3.940 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -20.002 2.496 -5.440 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -20.211 0.842 -3.589 1.00 0.00 C ATOM 0 H VAL A 83 -20.523 2.528 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.328 2.816 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.292 2.710 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.701 1.886 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.117 3.542 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.982 2.173 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.901 0.282 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.195 0.483 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.480 0.699 -2.542 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.466 5.128 -4.197 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.418 6.476 -4.723 1.00 0.00 C ATOM 1267 C VAL A 84 -18.336 6.452 -6.253 1.00 0.00 C ATOM 1268 O VAL A 84 -18.752 7.438 -6.860 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.298 7.302 -4.049 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.431 7.309 -2.514 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -15.888 6.827 -4.427 1.00 0.00 C ATOM 0 H VAL A 84 -17.687 4.550 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.346 6.990 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.428 8.315 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.624 7.901 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.390 7.744 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.373 6.287 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.148 7.447 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.760 5.788 -4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.754 6.908 -5.506 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.890 5.354 -6.892 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.924 5.257 -8.360 1.00 0.00 C ATOM 1283 C GLU A 85 -17.885 3.802 -8.836 1.00 0.00 C ATOM 1284 O GLU A 85 -17.563 2.896 -8.068 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.755 6.058 -8.992 1.00 0.00 C ATOM 1286 CG GLU A 85 -17.188 7.302 -9.783 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.944 6.990 -11.090 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.915 6.202 -11.072 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -17.593 7.569 -12.144 1.00 0.00 O ATOM 0 H GLU A 85 -17.508 4.534 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.868 5.690 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.073 6.366 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.196 5.398 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.823 7.919 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.304 7.893 -10.021 1.00 0.00 H new ATOM 1296 N THR A 86 -18.183 3.569 -10.115 1.00 0.00 N ATOM 1297 CA THR A 86 -18.002 2.303 -10.819 1.00 0.00 C ATOM 1298 C THR A 86 -17.589 2.630 -12.263 1.00 0.00 C ATOM 1299 O THR A 86 -18.143 3.553 -12.869 1.00 0.00 O ATOM 1300 CB THR A 86 -19.312 1.494 -10.754 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.604 1.179 -9.407 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.297 0.204 -11.585 1.00 0.00 C ATOM 0 H THR A 86 -18.576 4.294 -10.715 1.00 0.00 H new ATOM 0 HA THR A 86 -17.224 1.691 -10.362 1.00 0.00 H new ATOM 0 HB THR A 86 -20.083 2.130 -11.190 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.438 0.666 -9.364 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.256 -0.305 -11.484 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.124 0.448 -12.633 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.500 -0.449 -11.229 1.00 0.00 H new ATOM 1310 N SER A 87 -16.643 1.869 -12.817 1.00 0.00 N ATOM 1311 CA SER A 87 -16.053 2.105 -14.137 1.00 0.00 C ATOM 1312 C SER A 87 -15.720 0.758 -14.783 1.00 0.00 C ATOM 1313 O SER A 87 -15.480 -0.211 -14.067 1.00 0.00 O ATOM 1314 CB SER A 87 -14.781 2.958 -13.996 1.00 0.00 C ATOM 1315 OG SER A 87 -15.028 4.163 -13.288 1.00 0.00 O ATOM 0 H SER A 87 -16.256 1.050 -12.348 1.00 0.00 H new ATOM 0 HA SER A 87 -16.762 2.642 -14.767 1.00 0.00 H new ATOM 0 HB2 SER A 87 -14.014 2.383 -13.477 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.389 3.192 -14.986 1.00 0.00 H new ATOM 0 HG SER A 87 -14.197 4.677 -13.217 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.693 0.667 -16.114 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.580 -0.608 -16.825 1.00 0.00 C ATOM 1323 C VAL A 88 -14.488 -0.488 -17.894 1.00 0.00 C ATOM 1324 O VAL A 88 -14.262 0.598 -18.442 1.00 0.00 O ATOM 1325 CB VAL A 88 -16.962 -0.999 -17.414 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -16.962 -2.400 -18.048 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.083 -0.982 -16.358 1.00 0.00 C ATOM 0 H VAL A 88 -15.749 1.477 -16.731 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.287 -1.409 -16.146 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.152 -0.243 -18.176 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -17.954 -2.620 -18.443 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.233 -2.433 -18.858 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.699 -3.141 -17.293 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.027 -1.263 -16.825 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.846 -1.690 -15.564 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.171 0.019 -15.937 1.00 0.00 H new ATOM 1337 N GLY A 89 -13.835 -1.610 -18.202 1.00 0.00 N ATOM 1338 CA GLY A 89 -12.917 -1.754 -19.325 1.00 0.00 C ATOM 1339 C GLY A 89 -11.483 -1.364 -18.970 1.00 0.00 C ATOM 1340 O GLY A 89 -11.217 -0.797 -17.906 1.00 0.00 O ATOM 0 H GLY A 89 -13.936 -2.467 -17.658 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.933 -2.787 -19.671 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.263 -1.135 -20.153 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.551 -1.681 -19.874 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.164 -1.239 -19.778 1.00 0.00 C ATOM 1346 C PHE A 90 -9.127 0.291 -19.838 1.00 0.00 C ATOM 1347 O PHE A 90 -9.768 0.887 -20.708 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.341 -1.860 -20.918 1.00 0.00 C ATOM 1349 CG PHE A 90 -6.883 -1.432 -20.927 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.496 -0.247 -21.586 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -5.914 -2.207 -20.263 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -5.154 0.169 -21.566 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -4.568 -1.796 -20.256 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.188 -0.607 -20.901 1.00 0.00 C ATOM 0 H PHE A 90 -10.743 -2.254 -20.696 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.728 -1.565 -18.834 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.390 -2.946 -20.839 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.795 -1.589 -21.871 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.234 0.343 -22.108 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.203 -3.117 -19.759 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.865 1.084 -22.061 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.825 -2.397 -19.753 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.156 -0.290 -20.886 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.344 0.918 -18.954 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.118 2.362 -18.898 1.00 0.00 C ATOM 1366 C LYS A 91 -6.664 2.591 -18.479 1.00 0.00 C ATOM 1367 O LYS A 91 -6.139 1.776 -17.717 1.00 0.00 O ATOM 1368 CB LYS A 91 -9.085 3.010 -17.887 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.395 3.427 -18.570 1.00 0.00 C ATOM 1370 CD LYS A 91 -11.499 3.750 -17.554 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.799 4.221 -18.229 1.00 0.00 C ATOM 1372 NZ LYS A 91 -13.389 3.215 -19.154 1.00 0.00 N ATOM 0 H LYS A 91 -7.832 0.412 -18.231 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.302 2.818 -19.871 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.298 2.308 -17.081 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.613 3.882 -17.434 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.214 4.300 -19.198 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.731 2.625 -19.228 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.705 2.865 -16.952 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.146 4.524 -16.872 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.530 4.467 -17.459 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.599 5.138 -18.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.278 3.584 -19.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.722 3.022 -19.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.579 2.335 -18.634 1.00 0.00 H new ATOM 1386 N PRO A 92 -6.009 3.660 -18.964 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.599 3.919 -18.692 1.00 0.00 C ATOM 1388 C PRO A 92 -4.403 4.438 -17.266 1.00 0.00 C ATOM 1389 O PRO A 92 -5.312 5.033 -16.680 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.191 4.961 -19.736 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.475 5.755 -19.971 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.555 4.682 -19.849 1.00 0.00 C ATOM 0 HA PRO A 92 -3.988 3.019 -18.760 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.386 5.599 -19.372 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.836 4.492 -20.654 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.604 6.546 -19.232 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.484 6.230 -20.952 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.476 5.100 -19.441 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.800 4.263 -20.825 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.192 4.284 -16.714 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.901 4.643 -15.328 1.00 0.00 C ATOM 1402 C LYS A 93 -3.145 6.127 -15.079 1.00 0.00 C ATOM 1403 O LYS A 93 -3.561 6.488 -13.986 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.457 4.228 -14.997 1.00 0.00 C ATOM 1405 CG LYS A 93 -1.082 4.367 -13.510 1.00 0.00 C ATOM 1406 CD LYS A 93 0.082 5.343 -13.309 1.00 0.00 C ATOM 1407 CE LYS A 93 -0.341 6.786 -13.610 1.00 0.00 C ATOM 1408 NZ LYS A 93 0.708 7.774 -13.285 1.00 0.00 N ATOM 0 H LYS A 93 -2.390 3.907 -17.219 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.578 4.108 -14.662 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.311 3.192 -15.301 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.772 4.834 -15.590 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.949 4.713 -12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.811 3.390 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.444 5.274 -12.283 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.911 5.062 -13.959 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.598 6.871 -14.666 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.242 7.021 -13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.646 8.576 -13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.574 8.115 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.644 7.328 -13.370 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.903 6.996 -16.063 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.148 8.431 -15.917 1.00 0.00 C ATOM 1424 C GLU A 94 -4.630 8.734 -15.676 1.00 0.00 C ATOM 1425 O GLU A 94 -4.953 9.603 -14.863 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.617 9.194 -17.141 1.00 0.00 C ATOM 1427 CG GLU A 94 -1.082 9.280 -17.168 1.00 0.00 C ATOM 1428 CD GLU A 94 -0.524 10.206 -16.070 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -0.291 9.728 -14.936 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.301 11.408 -16.340 1.00 0.00 O ATOM 0 H GLU A 94 -2.535 6.727 -16.976 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.606 8.773 -15.036 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.965 8.702 -18.049 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.033 10.201 -17.144 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.663 8.281 -17.044 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.759 9.643 -18.144 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.540 7.997 -16.319 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.966 8.130 -16.080 1.00 0.00 C ATOM 1439 C ALA A 95 -7.341 7.545 -14.721 1.00 0.00 C ATOM 1440 O ALA A 95 -8.151 8.125 -14.001 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.736 7.399 -17.176 1.00 0.00 C ATOM 0 H ALA A 95 -5.301 7.294 -17.018 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.223 9.189 -16.088 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.807 7.499 -16.997 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.488 7.832 -18.145 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.464 6.344 -17.170 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.755 6.404 -14.352 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.054 5.764 -13.080 1.00 0.00 C ATOM 1449 C LEU A 96 -6.577 6.638 -11.924 1.00 0.00 C ATOM 1450 O LEU A 96 -7.305 6.793 -10.948 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.435 4.363 -12.969 1.00 0.00 C ATOM 1452 CG LEU A 96 -6.861 3.334 -14.034 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -6.280 1.961 -13.680 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -8.384 3.237 -14.169 1.00 0.00 C ATOM 0 H LEU A 96 -6.070 5.907 -14.921 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.136 5.646 -13.028 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.351 4.466 -13.009 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.681 3.959 -11.987 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.471 3.670 -14.995 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.581 1.233 -14.433 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.192 2.023 -13.650 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.653 1.649 -12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.635 2.499 -14.931 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.815 2.934 -13.215 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.786 4.208 -14.457 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.394 7.252 -12.023 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.910 8.133 -10.966 1.00 0.00 C ATOM 1468 C GLN A 97 -5.736 9.413 -10.926 1.00 0.00 C ATOM 1469 O GLN A 97 -5.918 9.973 -9.849 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.394 8.394 -11.041 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.914 9.277 -12.196 1.00 0.00 C ATOM 1472 CD GLN A 97 -3.124 10.782 -12.006 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.652 11.381 -11.043 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.830 11.427 -12.922 1.00 0.00 N ATOM 0 H GLN A 97 -4.762 7.154 -12.818 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.051 7.617 -10.016 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.079 8.855 -10.105 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.884 7.433 -11.110 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.851 9.093 -12.354 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.429 8.968 -13.105 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.217 10.920 -13.718 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.986 12.431 -12.832 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.272 9.863 -12.068 1.00 0.00 N ATOM 1484 CA GLU A 98 -7.159 11.012 -12.098 1.00 0.00 C ATOM 1485 C GLU A 98 -8.412 10.654 -11.301 1.00 0.00 C ATOM 1486 O GLU A 98 -8.775 11.378 -10.376 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.478 11.418 -13.549 1.00 0.00 C ATOM 1488 CG GLU A 98 -8.373 12.660 -13.595 1.00 0.00 C ATOM 1489 CD GLU A 98 -8.852 12.983 -15.019 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -8.036 13.397 -15.873 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -10.072 12.860 -15.273 1.00 0.00 O ATOM 0 H GLU A 98 -6.101 9.441 -12.981 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.684 11.881 -11.642 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.550 11.616 -14.086 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.972 10.592 -14.060 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.238 12.506 -12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.826 13.514 -13.196 1.00 0.00 H new ATOM 1498 N LEU A 99 -9.009 9.499 -11.598 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.198 9.000 -10.914 1.00 0.00 C ATOM 1500 C LEU A 99 -9.943 8.869 -9.410 1.00 0.00 C ATOM 1501 O LEU A 99 -10.775 9.291 -8.612 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.618 7.659 -11.543 1.00 0.00 C ATOM 1503 CG LEU A 99 -11.825 6.974 -10.874 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.096 7.829 -10.937 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.076 5.633 -11.575 1.00 0.00 C ATOM 0 H LEU A 99 -8.673 8.876 -12.332 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.016 9.710 -11.035 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.851 7.826 -12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.768 6.977 -11.509 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.588 6.829 -9.820 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.915 7.299 -10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.923 8.776 -10.426 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.355 8.020 -11.978 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.928 5.135 -11.113 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.286 5.808 -12.630 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.192 5.002 -11.481 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.787 8.334 -9.015 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.409 8.205 -7.615 1.00 0.00 C ATOM 1519 C VAL A 100 -8.319 9.593 -6.987 1.00 0.00 C ATOM 1520 O VAL A 100 -8.986 9.841 -5.985 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.102 7.390 -7.503 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.414 7.527 -6.135 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.383 5.905 -7.782 1.00 0.00 C ATOM 0 H VAL A 100 -8.086 7.977 -9.664 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.165 7.654 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.420 7.800 -8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.503 6.929 -6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.164 8.573 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.087 7.176 -5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.456 5.338 -7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.104 5.528 -7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.789 5.794 -8.787 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.550 10.520 -7.567 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.343 11.840 -6.966 1.00 0.00 C ATOM 1535 C ASN A 101 -8.639 12.653 -6.890 1.00 0.00 C ATOM 1536 O ASN A 101 -8.784 13.483 -5.994 1.00 0.00 O ATOM 1537 CB ASN A 101 -6.187 12.606 -7.637 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.614 13.816 -8.462 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -6.426 14.958 -8.058 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -7.184 13.593 -9.633 1.00 0.00 N ATOM 0 H ASN A 101 -7.061 10.380 -8.451 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.036 11.675 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.493 12.937 -6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.641 11.918 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.475 14.378 -10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.333 12.636 -9.954 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.602 12.384 -7.778 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.941 12.965 -7.712 1.00 0.00 C ATOM 1549 C LYS A 102 -11.745 12.474 -6.498 1.00 0.00 C ATOM 1550 O LYS A 102 -12.698 13.158 -6.124 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.695 12.704 -9.030 1.00 0.00 C ATOM 1552 CG LYS A 102 -11.245 13.676 -10.132 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.871 13.332 -11.492 1.00 0.00 C ATOM 1554 CE LYS A 102 -11.602 14.473 -12.485 1.00 0.00 C ATOM 1555 NZ LYS A 102 -12.078 14.166 -13.856 1.00 0.00 N ATOM 0 H LYS A 102 -9.470 11.752 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.824 14.040 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.521 11.678 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.767 12.809 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.520 14.693 -9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.159 13.651 -10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.452 12.400 -11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.944 13.178 -11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.091 15.380 -12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.532 14.678 -12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.334 15.050 -14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.323 13.686 -14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.912 13.546 -13.803 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.376 11.355 -5.860 1.00 0.00 N ATOM 1570 CA HIS A 103 -12.065 10.826 -4.680 1.00 0.00 C ATOM 1571 C HIS A 103 -11.198 10.813 -3.414 1.00 0.00 C ATOM 1572 O HIS A 103 -11.760 10.646 -2.329 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.624 9.428 -4.983 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.760 9.452 -5.974 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -15.025 9.956 -5.757 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.727 8.988 -7.261 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.735 9.793 -6.888 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.982 9.211 -7.839 1.00 0.00 N ATOM 0 H HIS A 103 -10.581 10.787 -6.154 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.887 11.509 -4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.823 8.798 -5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.968 8.971 -4.055 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.363 10.378 -4.892 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.879 8.529 -7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.766 10.088 -7.015 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.875 11.008 -3.499 1.00 0.00 N ATOM 1587 CA LEU A 104 -9.024 11.200 -2.321 1.00 0.00 C ATOM 1588 C LEU A 104 -9.553 12.366 -1.491 1.00 0.00 C ATOM 1589 O LEU A 104 -9.796 13.452 -2.059 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.546 11.446 -2.685 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.778 10.263 -3.302 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.302 10.643 -3.459 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.891 8.973 -2.484 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.715 12.193 -0.265 1.00 0.00 O ATOM 0 H LEU A 104 -9.368 11.037 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.060 10.276 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.503 12.281 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.021 11.758 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.233 10.060 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.756 9.807 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.217 11.512 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.881 10.880 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.327 8.180 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.488 9.139 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.938 8.680 -2.409 1.00 0.00 H new