USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=24 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 46 MET CE :methyl 176:sc= -0.117 (180deg=-0.162) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.184 K(o=0.067,f=-0.69) USER MOD Set 2.1: A 29 CYS SG : rot 167:sc= 0.614 USER MOD Set 2.2: A 32 CYS SG : rot 76:sc= -0.57 USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0.911) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -78:sc= 1.24 USER MOD Single : A 16 SER OG : rot 95:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0.849 (180deg=0.739) USER MOD Single : A 34 MET CE :methyl -178:sc= 0 (180deg=-0.0122) USER MOD Single : A 44 GLN : amide:sc= 0.994 K(o=0.99,f=-0.0019) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 3.77 (180deg=3.45) USER MOD Single : A 54 LYS NZ :NH3+ 142:sc= 1.23 (180deg=1.12) USER MOD Single : A 60 ASN : amide:sc= 0.96 K(o=0.96,f=-7!) USER MOD Single : A 61 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.2!) USER MOD Single : A 63 THR OG1 : rot -77:sc= 0.922 USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 1.12 (180deg=1.1) USER MOD Single : A 67 TYR OH : rot -138:sc= 0.365 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 120:sc= 1.3 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 1.94 (180deg=1.27) USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00507 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 1.11 (180deg=1.11) USER MOD Single : A 93 LYS NZ :NH3+ 148:sc= 1.18 (180deg=1.08) USER MOD Single : A 101 ASN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 -1.023 -4.890 -3.839 1.00 0.00 N ATOM 31 CA ILE A 3 -2.450 -5.018 -4.096 1.00 0.00 C ATOM 32 C ILE A 3 -2.987 -6.138 -3.197 1.00 0.00 C ATOM 33 O ILE A 3 -2.322 -7.155 -2.973 1.00 0.00 O ATOM 34 CB ILE A 3 -2.653 -5.276 -5.607 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.140 -4.045 -6.393 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.124 -5.582 -5.939 1.00 0.00 C ATOM 37 CD1 ILE A 3 -2.161 -4.208 -7.910 1.00 0.00 C ATOM 0 HA ILE A 3 -3.008 -4.113 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.083 -6.158 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.747 -3.180 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.119 -3.828 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.226 -5.758 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.443 -6.470 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.746 -4.735 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.785 -3.299 -8.379 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.530 -5.050 -8.194 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.183 -4.392 -8.242 1.00 0.00 H new ATOM 49 N VAL A 4 -4.206 -5.959 -2.702 1.00 0.00 N ATOM 50 CA VAL A 4 -4.862 -6.828 -1.729 1.00 0.00 C ATOM 51 C VAL A 4 -5.850 -7.721 -2.496 1.00 0.00 C ATOM 52 O VAL A 4 -6.157 -7.473 -3.662 1.00 0.00 O ATOM 53 CB VAL A 4 -5.512 -5.934 -0.639 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.132 -6.720 0.527 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.491 -4.949 -0.033 1.00 0.00 C ATOM 0 H VAL A 4 -4.791 -5.170 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.173 -7.492 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.307 -5.407 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.565 -6.024 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.911 -7.381 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.360 -7.314 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.980 -4.339 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.673 -5.507 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.098 -4.304 -0.818 1.00 0.00 H new ATOM 65 N LYS A 5 -6.360 -8.776 -1.865 1.00 0.00 N ATOM 66 CA LYS A 5 -7.356 -9.687 -2.427 1.00 0.00 C ATOM 67 C LYS A 5 -8.475 -9.780 -1.393 1.00 0.00 C ATOM 68 O LYS A 5 -8.177 -9.787 -0.195 1.00 0.00 O ATOM 69 CB LYS A 5 -6.753 -11.088 -2.664 1.00 0.00 C ATOM 70 CG LYS A 5 -5.924 -11.297 -3.947 1.00 0.00 C ATOM 71 CD LYS A 5 -4.610 -10.511 -4.115 1.00 0.00 C ATOM 72 CE LYS A 5 -3.710 -10.593 -2.872 1.00 0.00 C ATOM 73 NZ LYS A 5 -2.368 -9.994 -3.090 1.00 0.00 N ATOM 0 H LYS A 5 -6.082 -9.029 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.715 -9.321 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.120 -11.331 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.570 -11.810 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.686 -12.358 -4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.564 -11.057 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.068 -10.897 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.840 -9.466 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.199 -10.084 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.594 -11.637 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.712 -10.335 -2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.013 -10.269 -4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.438 -8.958 -3.036 1.00 0.00 H new ATOM 87 N ALA A 6 -9.731 -9.871 -1.827 1.00 0.00 N ATOM 88 CA ALA A 6 -10.867 -10.070 -0.931 1.00 0.00 C ATOM 89 C ALA A 6 -11.931 -10.952 -1.584 1.00 0.00 C ATOM 90 O ALA A 6 -11.891 -11.213 -2.788 1.00 0.00 O ATOM 91 CB ALA A 6 -11.464 -8.715 -0.529 1.00 0.00 C ATOM 0 H ALA A 6 -9.989 -9.809 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.513 -10.579 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.310 -8.874 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.706 -8.120 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.800 -8.187 -1.421 1.00 0.00 H new ATOM 97 N THR A 7 -12.908 -11.371 -0.780 1.00 0.00 N ATOM 98 CA THR A 7 -14.105 -12.078 -1.207 1.00 0.00 C ATOM 99 C THR A 7 -15.289 -11.416 -0.499 1.00 0.00 C ATOM 100 O THR A 7 -15.064 -10.644 0.437 1.00 0.00 O ATOM 101 CB THR A 7 -13.982 -13.577 -0.860 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.636 -13.761 0.502 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.945 -14.304 -1.726 1.00 0.00 C ATOM 0 H THR A 7 -12.881 -11.218 0.228 1.00 0.00 H new ATOM 0 HA THR A 7 -14.247 -12.020 -2.286 1.00 0.00 H new ATOM 0 HB THR A 7 -14.964 -14.006 -1.061 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.566 -14.719 0.695 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.902 -15.354 -1.437 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.229 -14.228 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.966 -13.847 -1.581 1.00 0.00 H new ATOM 111 N ASP A 8 -16.540 -11.730 -0.853 1.00 0.00 N ATOM 112 CA ASP A 8 -17.734 -11.149 -0.211 1.00 0.00 C ATOM 113 C ASP A 8 -17.703 -11.294 1.318 1.00 0.00 C ATOM 114 O ASP A 8 -18.302 -10.500 2.043 1.00 0.00 O ATOM 115 CB ASP A 8 -19.022 -11.812 -0.726 1.00 0.00 C ATOM 116 CG ASP A 8 -20.259 -10.964 -0.368 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.431 -9.864 -0.953 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.076 -11.410 0.469 1.00 0.00 O ATOM 0 H ASP A 8 -16.758 -12.396 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.725 -10.090 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.963 -11.938 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.121 -12.808 -0.294 1.00 0.00 H new ATOM 123 N GLN A 9 -16.977 -12.310 1.800 1.00 0.00 N ATOM 124 CA GLN A 9 -16.822 -12.643 3.205 1.00 0.00 C ATOM 125 C GLN A 9 -16.111 -11.534 3.998 1.00 0.00 C ATOM 126 O GLN A 9 -16.435 -11.337 5.173 1.00 0.00 O ATOM 127 CB GLN A 9 -16.073 -13.977 3.353 1.00 0.00 C ATOM 128 CG GLN A 9 -16.621 -15.102 2.456 1.00 0.00 C ATOM 129 CD GLN A 9 -18.125 -15.367 2.591 1.00 0.00 C ATOM 130 OE1 GLN A 9 -18.683 -15.382 3.686 1.00 0.00 O ATOM 131 NE2 GLN A 9 -18.820 -15.581 1.482 1.00 0.00 N ATOM 0 H GLN A 9 -16.463 -12.944 1.188 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.822 -12.741 3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.020 -13.819 3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -16.124 -14.298 4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.403 -14.856 1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -16.084 -16.022 2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.352 -15.567 0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.823 -15.759 1.535 1.00 0.00 H new ATOM 140 N SER A 10 -15.172 -10.807 3.374 1.00 0.00 N ATOM 141 CA SER A 10 -14.296 -9.851 4.069 1.00 0.00 C ATOM 142 C SER A 10 -14.043 -8.558 3.287 1.00 0.00 C ATOM 143 O SER A 10 -13.449 -7.621 3.825 1.00 0.00 O ATOM 144 CB SER A 10 -12.962 -10.534 4.416 1.00 0.00 C ATOM 145 OG SER A 10 -13.158 -11.776 5.082 1.00 0.00 O ATOM 0 H SER A 10 -14.998 -10.865 2.371 1.00 0.00 H new ATOM 0 HA SER A 10 -14.820 -9.551 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.390 -10.698 3.503 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.370 -9.873 5.048 1.00 0.00 H new ATOM 0 HG SER A 10 -12.288 -12.180 5.284 1.00 0.00 H new ATOM 151 N PHE A 11 -14.536 -8.463 2.050 1.00 0.00 N ATOM 152 CA PHE A 11 -14.500 -7.267 1.218 1.00 0.00 C ATOM 153 C PHE A 11 -15.029 -6.060 1.987 1.00 0.00 C ATOM 154 O PHE A 11 -14.457 -4.975 1.890 1.00 0.00 O ATOM 155 CB PHE A 11 -15.328 -7.551 -0.047 1.00 0.00 C ATOM 156 CG PHE A 11 -15.598 -6.368 -0.954 1.00 0.00 C ATOM 157 CD1 PHE A 11 -16.653 -5.483 -0.660 1.00 0.00 C ATOM 158 CD2 PHE A 11 -14.840 -6.186 -2.126 1.00 0.00 C ATOM 159 CE1 PHE A 11 -16.939 -4.418 -1.527 1.00 0.00 C ATOM 160 CE2 PHE A 11 -15.158 -5.143 -3.011 1.00 0.00 C ATOM 161 CZ PHE A 11 -16.207 -4.256 -2.714 1.00 0.00 C ATOM 0 H PHE A 11 -14.988 -9.251 1.586 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.476 -7.026 0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.813 -8.316 -0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.285 -7.973 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -17.243 -5.624 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.015 -6.848 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -17.725 -3.720 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.594 -5.022 -3.924 1.00 0.00 H new ATOM 0 HZ PHE A 11 -16.449 -3.454 -3.395 1.00 0.00 H new ATOM 171 N SER A 12 -16.085 -6.238 2.783 1.00 0.00 N ATOM 172 CA SER A 12 -16.716 -5.139 3.495 1.00 0.00 C ATOM 173 C SER A 12 -15.792 -4.557 4.566 1.00 0.00 C ATOM 174 O SER A 12 -15.763 -3.342 4.755 1.00 0.00 O ATOM 175 CB SER A 12 -18.043 -5.615 4.097 1.00 0.00 C ATOM 176 OG SER A 12 -18.798 -6.334 3.132 1.00 0.00 O ATOM 0 H SER A 12 -16.521 -7.145 2.948 1.00 0.00 H new ATOM 0 HA SER A 12 -16.918 -4.335 2.788 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.850 -6.249 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.616 -4.758 4.451 1.00 0.00 H new ATOM 0 HG SER A 12 -19.641 -6.632 3.532 1.00 0.00 H new ATOM 182 N ALA A 13 -15.001 -5.399 5.237 1.00 0.00 N ATOM 183 CA ALA A 13 -14.011 -4.940 6.194 1.00 0.00 C ATOM 184 C ALA A 13 -12.899 -4.195 5.456 1.00 0.00 C ATOM 185 O ALA A 13 -12.515 -3.096 5.857 1.00 0.00 O ATOM 186 CB ALA A 13 -13.448 -6.125 6.987 1.00 0.00 C ATOM 0 H ALA A 13 -15.034 -6.413 5.127 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.479 -4.257 6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.707 -5.766 7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.257 -6.621 7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.979 -6.831 6.302 1.00 0.00 H new ATOM 192 N GLU A 14 -12.402 -4.772 4.357 1.00 0.00 N ATOM 193 CA GLU A 14 -11.275 -4.219 3.616 1.00 0.00 C ATOM 194 C GLU A 14 -11.616 -2.860 3.016 1.00 0.00 C ATOM 195 O GLU A 14 -10.778 -1.957 3.028 1.00 0.00 O ATOM 196 CB GLU A 14 -10.836 -5.186 2.504 1.00 0.00 C ATOM 197 CG GLU A 14 -10.111 -6.417 3.061 1.00 0.00 C ATOM 198 CD GLU A 14 -8.755 -6.108 3.732 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.190 -5.010 3.518 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.249 -6.972 4.484 1.00 0.00 O ATOM 0 H GLU A 14 -12.773 -5.635 3.960 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.453 -4.084 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.710 -5.507 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.179 -4.663 1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.759 -6.908 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.948 -7.126 2.249 1.00 0.00 H new ATOM 207 N THR A 15 -12.838 -2.688 2.519 1.00 0.00 N ATOM 208 CA THR A 15 -13.260 -1.464 1.860 1.00 0.00 C ATOM 209 C THR A 15 -13.619 -0.353 2.857 1.00 0.00 C ATOM 210 O THR A 15 -13.933 0.762 2.436 1.00 0.00 O ATOM 211 CB THR A 15 -14.366 -1.779 0.841 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.416 -2.534 1.409 1.00 0.00 O ATOM 213 CG2 THR A 15 -13.785 -2.553 -0.356 1.00 0.00 C ATOM 0 H THR A 15 -13.565 -3.402 2.565 1.00 0.00 H new ATOM 0 HA THR A 15 -12.419 -1.053 1.302 1.00 0.00 H new ATOM 0 HB THR A 15 -14.772 -0.823 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.142 -3.472 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.580 -2.769 -1.070 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.016 -1.951 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.347 -3.488 -0.007 1.00 0.00 H new ATOM 221 N SER A 16 -13.519 -0.615 4.167 1.00 0.00 N ATOM 222 CA SER A 16 -13.958 0.290 5.227 1.00 0.00 C ATOM 223 C SER A 16 -12.770 0.895 5.980 1.00 0.00 C ATOM 224 O SER A 16 -12.844 1.125 7.189 1.00 0.00 O ATOM 225 CB SER A 16 -14.955 -0.427 6.151 1.00 0.00 C ATOM 226 OG SER A 16 -16.106 -0.829 5.435 1.00 0.00 O ATOM 0 H SER A 16 -13.121 -1.484 4.523 1.00 0.00 H new ATOM 0 HA SER A 16 -14.481 1.134 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.479 -1.298 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.242 0.236 6.967 1.00 0.00 H new ATOM 0 HG SER A 16 -16.004 -1.761 5.149 1.00 0.00 H new ATOM 232 N GLU A 17 -11.663 1.152 5.272 1.00 0.00 N ATOM 233 CA GLU A 17 -10.440 1.697 5.870 1.00 0.00 C ATOM 234 C GLU A 17 -9.854 2.883 5.088 1.00 0.00 C ATOM 235 O GLU A 17 -8.825 3.429 5.493 1.00 0.00 O ATOM 236 CB GLU A 17 -9.388 0.583 6.026 1.00 0.00 C ATOM 237 CG GLU A 17 -9.847 -0.583 6.914 1.00 0.00 C ATOM 238 CD GLU A 17 -8.689 -1.543 7.234 1.00 0.00 C ATOM 239 OE1 GLU A 17 -7.969 -1.963 6.300 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.494 -1.892 8.422 1.00 0.00 O ATOM 0 H GLU A 17 -11.591 0.987 4.268 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.717 2.085 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.132 0.197 5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.478 1.012 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.263 -0.192 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.646 -1.130 6.413 1.00 0.00 H new ATOM 247 N GLY A 18 -10.471 3.300 3.979 1.00 0.00 N ATOM 248 CA GLY A 18 -9.909 4.333 3.117 1.00 0.00 C ATOM 249 C GLY A 18 -10.611 4.362 1.773 1.00 0.00 C ATOM 250 O GLY A 18 -11.677 3.759 1.633 1.00 0.00 O ATOM 0 H GLY A 18 -11.367 2.932 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.002 5.305 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.844 4.150 2.971 1.00 0.00 H new ATOM 254 N VAL A 19 -10.048 5.082 0.800 1.00 0.00 N ATOM 255 CA VAL A 19 -10.469 4.939 -0.590 1.00 0.00 C ATOM 256 C VAL A 19 -9.941 3.570 -1.012 1.00 0.00 C ATOM 257 O VAL A 19 -8.773 3.250 -0.758 1.00 0.00 O ATOM 258 CB VAL A 19 -9.915 6.079 -1.472 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.262 5.889 -2.959 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.497 7.428 -1.035 1.00 0.00 C ATOM 0 H VAL A 19 -9.305 5.764 0.950 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.551 5.005 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.832 6.058 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.850 6.716 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.837 4.951 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.345 5.865 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.095 8.220 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.583 7.404 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.227 7.621 0.003 1.00 0.00 H new ATOM 270 N VAL A 20 -10.781 2.757 -1.644 1.00 0.00 N ATOM 271 CA VAL A 20 -10.436 1.406 -2.038 1.00 0.00 C ATOM 272 C VAL A 20 -10.939 1.206 -3.464 1.00 0.00 C ATOM 273 O VAL A 20 -12.135 1.323 -3.737 1.00 0.00 O ATOM 274 CB VAL A 20 -10.986 0.377 -1.027 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.470 -1.022 -1.384 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.575 0.711 0.420 1.00 0.00 C ATOM 0 H VAL A 20 -11.731 3.026 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.357 1.249 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.074 0.410 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.859 -1.747 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.803 -1.287 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.381 -1.028 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.984 -0.039 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.488 0.716 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.962 1.693 0.691 1.00 0.00 H new ATOM 286 N LEU A 21 -10.009 0.937 -4.376 1.00 0.00 N ATOM 287 CA LEU A 21 -10.295 0.566 -5.753 1.00 0.00 C ATOM 288 C LEU A 21 -10.456 -0.950 -5.738 1.00 0.00 C ATOM 289 O LEU A 21 -9.553 -1.651 -5.283 1.00 0.00 O ATOM 290 CB LEU A 21 -9.104 1.018 -6.622 1.00 0.00 C ATOM 291 CG LEU A 21 -9.234 0.936 -8.153 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.423 -0.478 -8.705 1.00 0.00 C ATOM 293 CD2 LEU A 21 -10.340 1.853 -8.680 1.00 0.00 C ATOM 0 H LEU A 21 -9.011 0.973 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.193 1.030 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.881 2.053 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.238 0.423 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.268 1.281 -8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.505 -0.437 -9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.567 -1.094 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.332 -0.913 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.399 1.765 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.294 1.562 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.116 2.885 -8.411 1.00 0.00 H new ATOM 305 N ALA A 22 -11.584 -1.468 -6.214 1.00 0.00 N ATOM 306 CA ALA A 22 -11.873 -2.891 -6.248 1.00 0.00 C ATOM 307 C ALA A 22 -12.022 -3.304 -7.703 1.00 0.00 C ATOM 308 O ALA A 22 -13.014 -2.977 -8.356 1.00 0.00 O ATOM 309 CB ALA A 22 -13.125 -3.199 -5.425 1.00 0.00 C ATOM 0 H ALA A 22 -12.337 -0.894 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.061 -3.464 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.329 -4.269 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.965 -2.894 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.974 -2.654 -5.837 1.00 0.00 H new ATOM 315 N ASP A 23 -11.007 -3.990 -8.214 1.00 0.00 N ATOM 316 CA ASP A 23 -11.001 -4.562 -9.549 1.00 0.00 C ATOM 317 C ASP A 23 -11.749 -5.894 -9.504 1.00 0.00 C ATOM 318 O ASP A 23 -11.234 -6.911 -9.018 1.00 0.00 O ATOM 319 CB ASP A 23 -9.564 -4.727 -10.047 1.00 0.00 C ATOM 320 CG ASP A 23 -9.490 -5.479 -11.386 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.399 -5.325 -12.230 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.480 -6.188 -11.598 1.00 0.00 O ATOM 0 H ASP A 23 -10.146 -4.167 -7.697 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.505 -3.900 -10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.106 -3.744 -10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.983 -5.265 -9.299 1.00 0.00 H new ATOM 327 N PHE A 24 -13.006 -5.842 -9.939 1.00 0.00 N ATOM 328 CA PHE A 24 -13.839 -6.995 -10.208 1.00 0.00 C ATOM 329 C PHE A 24 -13.368 -7.580 -11.536 1.00 0.00 C ATOM 330 O PHE A 24 -13.458 -6.913 -12.574 1.00 0.00 O ATOM 331 CB PHE A 24 -15.318 -6.590 -10.241 1.00 0.00 C ATOM 332 CG PHE A 24 -15.910 -6.448 -8.855 1.00 0.00 C ATOM 333 CD1 PHE A 24 -15.844 -5.222 -8.166 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.461 -7.576 -8.219 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.332 -5.129 -6.849 1.00 0.00 C ATOM 336 CE2 PHE A 24 -16.952 -7.480 -6.910 1.00 0.00 C ATOM 337 CZ PHE A 24 -16.888 -6.257 -6.221 1.00 0.00 C ATOM 0 H PHE A 24 -13.483 -4.959 -10.118 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.750 -7.747 -9.424 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.421 -5.646 -10.775 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.883 -7.336 -10.800 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.419 -4.354 -8.648 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.506 -8.520 -8.742 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.279 -4.189 -6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.380 -8.347 -6.430 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.265 -6.184 -5.212 1.00 0.00 H new ATOM 347 N TRP A 25 -12.863 -8.815 -11.501 1.00 0.00 N ATOM 348 CA TRP A 25 -12.160 -9.433 -12.623 1.00 0.00 C ATOM 349 C TRP A 25 -12.445 -10.937 -12.702 1.00 0.00 C ATOM 350 O TRP A 25 -13.178 -11.478 -11.872 1.00 0.00 O ATOM 351 CB TRP A 25 -10.650 -9.177 -12.459 1.00 0.00 C ATOM 352 CG TRP A 25 -9.931 -10.028 -11.452 1.00 0.00 C ATOM 353 CD1 TRP A 25 -10.100 -9.969 -10.115 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.940 -11.081 -11.674 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.331 -10.932 -9.497 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.577 -11.636 -10.409 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.301 -11.622 -12.813 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.636 -12.670 -10.281 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.347 -12.651 -12.694 1.00 0.00 C ATOM 360 CH2 TRP A 25 -7.019 -13.181 -11.434 1.00 0.00 C ATOM 0 H TRP A 25 -12.932 -9.420 -10.682 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.514 -8.990 -13.554 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.173 -9.319 -13.429 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.509 -8.132 -12.185 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.744 -9.269 -9.603 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.322 -11.102 -8.491 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.549 -11.239 -13.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.390 -13.068 -9.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.863 -13.037 -13.579 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.295 -13.978 -11.353 1.00 0.00 H new ATOM 371 N ALA A 26 -11.860 -11.608 -13.700 1.00 0.00 N ATOM 372 CA ALA A 26 -11.778 -13.060 -13.815 1.00 0.00 C ATOM 373 C ALA A 26 -10.605 -13.376 -14.759 1.00 0.00 C ATOM 374 O ALA A 26 -10.308 -12.561 -15.639 1.00 0.00 O ATOM 375 CB ALA A 26 -13.085 -13.643 -14.363 1.00 0.00 C ATOM 0 H ALA A 26 -11.413 -11.129 -14.481 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.617 -13.510 -12.835 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.996 -14.727 -14.439 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.905 -13.392 -13.691 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.284 -13.225 -15.350 1.00 0.00 H new ATOM 381 N PRO A 27 -9.942 -14.539 -14.633 1.00 0.00 N ATOM 382 CA PRO A 27 -8.692 -14.819 -15.337 1.00 0.00 C ATOM 383 C PRO A 27 -8.889 -15.163 -16.816 1.00 0.00 C ATOM 384 O PRO A 27 -7.928 -15.111 -17.587 1.00 0.00 O ATOM 385 CB PRO A 27 -8.063 -15.986 -14.571 1.00 0.00 C ATOM 386 CG PRO A 27 -9.274 -16.747 -14.033 1.00 0.00 C ATOM 387 CD PRO A 27 -10.292 -15.641 -13.752 1.00 0.00 C ATOM 0 HA PRO A 27 -8.055 -13.935 -15.355 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.452 -16.611 -15.222 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.417 -15.637 -13.765 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.652 -17.466 -14.760 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.029 -17.306 -13.130 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.307 -15.987 -13.945 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.254 -15.332 -12.707 1.00 0.00 H new ATOM 395 N TRP A 28 -10.107 -15.514 -17.241 1.00 0.00 N ATOM 396 CA TRP A 28 -10.395 -15.813 -18.639 1.00 0.00 C ATOM 397 C TRP A 28 -10.562 -14.536 -19.478 1.00 0.00 C ATOM 398 O TRP A 28 -10.589 -14.620 -20.706 1.00 0.00 O ATOM 399 CB TRP A 28 -11.615 -16.746 -18.718 1.00 0.00 C ATOM 400 CG TRP A 28 -12.808 -16.438 -17.854 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.348 -15.218 -17.637 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.632 -17.370 -17.082 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.460 -15.333 -16.830 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.671 -16.635 -16.435 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.605 -18.764 -16.859 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.626 -17.247 -15.608 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -14.557 -19.390 -16.031 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.566 -18.636 -15.405 1.00 0.00 C ATOM 0 H TRP A 28 -10.915 -15.597 -16.625 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.542 -16.332 -19.076 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.952 -16.765 -19.754 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -11.279 -17.754 -18.473 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.965 -14.291 -18.037 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -15.054 -14.549 -16.559 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.840 -19.362 -17.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -16.397 -16.658 -15.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -14.512 -20.458 -15.875 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -16.292 -19.123 -14.771 1.00 0.00 H new ATOM 419 N CYS A 29 -10.670 -13.358 -18.847 1.00 0.00 N ATOM 420 CA CYS A 29 -10.790 -12.090 -19.547 1.00 0.00 C ATOM 421 C CYS A 29 -9.374 -11.576 -19.832 1.00 0.00 C ATOM 422 O CYS A 29 -8.595 -11.364 -18.900 1.00 0.00 O ATOM 423 CB CYS A 29 -11.594 -11.115 -18.673 1.00 0.00 C ATOM 424 SG CYS A 29 -11.732 -9.487 -19.461 1.00 0.00 S ATOM 0 H CYS A 29 -10.676 -13.268 -17.831 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.319 -12.197 -20.494 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.590 -11.520 -18.493 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.112 -11.012 -17.701 1.00 0.00 H new ATOM 0 HG CYS A 29 -12.634 -8.782 -18.845 1.00 0.00 H new ATOM 430 N GLY A 30 -9.040 -11.357 -21.107 1.00 0.00 N ATOM 431 CA GLY A 30 -7.761 -10.778 -21.518 1.00 0.00 C ATOM 432 C GLY A 30 -7.538 -9.391 -20.907 1.00 0.00 C ATOM 433 O GLY A 30 -6.549 -9.209 -20.194 1.00 0.00 O ATOM 0 H GLY A 30 -9.656 -11.579 -21.889 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.950 -11.441 -21.218 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.728 -10.705 -22.605 1.00 0.00 H new ATOM 437 N PRO A 31 -8.450 -8.420 -21.109 1.00 0.00 N ATOM 438 CA PRO A 31 -8.368 -7.099 -20.497 1.00 0.00 C ATOM 439 C PRO A 31 -8.117 -7.098 -18.983 1.00 0.00 C ATOM 440 O PRO A 31 -7.311 -6.297 -18.510 1.00 0.00 O ATOM 441 CB PRO A 31 -9.666 -6.392 -20.889 1.00 0.00 C ATOM 442 CG PRO A 31 -9.960 -6.980 -22.268 1.00 0.00 C ATOM 443 CD PRO A 31 -9.492 -8.429 -22.130 1.00 0.00 C ATOM 0 HA PRO A 31 -7.487 -6.573 -20.866 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.469 -6.597 -20.181 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.543 -5.310 -20.927 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.020 -6.920 -22.515 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.419 -6.454 -23.055 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.317 -9.079 -21.840 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.107 -8.806 -23.077 1.00 0.00 H new ATOM 451 N CYS A 32 -8.733 -8.013 -18.218 1.00 0.00 N ATOM 452 CA CYS A 32 -8.473 -8.143 -16.780 1.00 0.00 C ATOM 453 C CYS A 32 -7.003 -8.429 -16.465 1.00 0.00 C ATOM 454 O CYS A 32 -6.497 -7.988 -15.432 1.00 0.00 O ATOM 455 CB CYS A 32 -9.301 -9.278 -16.172 1.00 0.00 C ATOM 456 SG CYS A 32 -11.053 -8.836 -16.084 1.00 0.00 S ATOM 0 H CYS A 32 -9.419 -8.677 -18.577 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.751 -7.181 -16.348 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.181 -10.181 -16.771 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.930 -9.507 -15.173 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.583 -8.924 -17.268 1.00 0.00 H new ATOM 462 N LYS A 33 -6.314 -9.181 -17.323 1.00 0.00 N ATOM 463 CA LYS A 33 -4.900 -9.475 -17.129 1.00 0.00 C ATOM 464 C LYS A 33 -4.067 -8.300 -17.620 1.00 0.00 C ATOM 465 O LYS A 33 -3.140 -7.897 -16.922 1.00 0.00 O ATOM 466 CB LYS A 33 -4.537 -10.794 -17.828 1.00 0.00 C ATOM 467 CG LYS A 33 -5.208 -11.974 -17.098 1.00 0.00 C ATOM 468 CD LYS A 33 -5.012 -13.327 -17.790 1.00 0.00 C ATOM 469 CE LYS A 33 -5.743 -13.372 -19.141 1.00 0.00 C ATOM 470 NZ LYS A 33 -5.961 -14.765 -19.600 1.00 0.00 N ATOM 0 H LYS A 33 -6.717 -9.598 -18.162 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.683 -9.609 -16.069 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.861 -10.766 -18.868 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.455 -10.927 -17.835 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.810 -12.035 -16.085 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.276 -11.774 -17.010 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.948 -13.509 -17.943 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.383 -14.125 -17.146 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.703 -12.863 -19.053 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.163 -12.829 -19.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.268 -14.759 -20.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.074 -15.302 -19.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.694 -15.213 -19.014 1.00 0.00 H new ATOM 484 N MET A 34 -4.398 -7.695 -18.766 1.00 0.00 N ATOM 485 CA MET A 34 -3.575 -6.618 -19.312 1.00 0.00 C ATOM 486 C MET A 34 -3.671 -5.325 -18.484 1.00 0.00 C ATOM 487 O MET A 34 -2.728 -4.535 -18.505 1.00 0.00 O ATOM 488 CB MET A 34 -3.842 -6.415 -20.814 1.00 0.00 C ATOM 489 CG MET A 34 -4.969 -5.436 -21.151 1.00 0.00 C ATOM 490 SD MET A 34 -5.547 -5.564 -22.866 1.00 0.00 S ATOM 491 CE MET A 34 -6.752 -4.212 -22.900 1.00 0.00 C ATOM 0 H MET A 34 -5.218 -7.930 -19.324 1.00 0.00 H new ATOM 0 HA MET A 34 -2.532 -6.925 -19.228 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.924 -6.063 -21.285 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.078 -7.382 -21.258 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.808 -5.614 -20.479 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.624 -4.419 -20.967 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.229 -4.175 -23.879 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.509 -4.380 -22.134 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.244 -3.267 -22.708 1.00 0.00 H new ATOM 501 N ILE A 35 -4.757 -5.101 -17.728 1.00 0.00 N ATOM 502 CA ILE A 35 -4.849 -3.964 -16.806 1.00 0.00 C ATOM 503 C ILE A 35 -4.044 -4.214 -15.516 1.00 0.00 C ATOM 504 O ILE A 35 -3.722 -3.258 -14.814 1.00 0.00 O ATOM 505 CB ILE A 35 -6.332 -3.583 -16.547 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.446 -2.120 -16.056 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.042 -4.569 -15.607 1.00 0.00 C ATOM 508 CD1 ILE A 35 -7.879 -1.653 -15.773 1.00 0.00 C ATOM 0 H ILE A 35 -5.585 -5.696 -17.739 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.386 -3.097 -17.276 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.856 -3.656 -17.500 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.855 -2.008 -15.147 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.005 -1.463 -16.806 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.075 -4.253 -15.462 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.026 -5.566 -16.046 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.530 -4.588 -14.645 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.864 -0.617 -15.434 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.473 -1.728 -16.684 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.320 -2.281 -15.000 1.00 0.00 H new ATOM 520 N ALA A 36 -3.685 -5.463 -15.185 1.00 0.00 N ATOM 521 CA ALA A 36 -2.969 -5.777 -13.949 1.00 0.00 C ATOM 522 C ALA A 36 -1.664 -4.980 -13.779 1.00 0.00 C ATOM 523 O ALA A 36 -1.509 -4.369 -12.720 1.00 0.00 O ATOM 524 CB ALA A 36 -2.742 -7.288 -13.814 1.00 0.00 C ATOM 0 H ALA A 36 -3.884 -6.277 -15.766 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.612 -5.457 -13.129 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.208 -7.494 -12.887 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.704 -7.801 -13.800 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.153 -7.644 -14.659 1.00 0.00 H new ATOM 530 N PRO A 37 -0.753 -4.882 -14.770 1.00 0.00 N ATOM 531 CA PRO A 37 0.434 -4.046 -14.620 1.00 0.00 C ATOM 532 C PRO A 37 0.080 -2.564 -14.459 1.00 0.00 C ATOM 533 O PRO A 37 0.785 -1.852 -13.747 1.00 0.00 O ATOM 534 CB PRO A 37 1.308 -4.309 -15.852 1.00 0.00 C ATOM 535 CG PRO A 37 0.331 -4.868 -16.884 1.00 0.00 C ATOM 536 CD PRO A 37 -0.678 -5.623 -16.023 1.00 0.00 C ATOM 0 HA PRO A 37 0.974 -4.300 -13.708 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.784 -3.395 -16.207 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.106 -5.019 -15.632 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.144 -4.075 -17.462 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.828 -5.527 -17.596 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.652 -5.670 -16.510 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.357 -6.651 -15.853 1.00 0.00 H new ATOM 544 N VAL A 38 -1.014 -2.085 -15.059 1.00 0.00 N ATOM 545 CA VAL A 38 -1.453 -0.703 -14.906 1.00 0.00 C ATOM 546 C VAL A 38 -1.888 -0.461 -13.455 1.00 0.00 C ATOM 547 O VAL A 38 -1.544 0.566 -12.870 1.00 0.00 O ATOM 548 CB VAL A 38 -2.577 -0.374 -15.913 1.00 0.00 C ATOM 549 CG1 VAL A 38 -2.803 1.138 -15.990 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.256 -0.866 -17.334 1.00 0.00 C ATOM 0 H VAL A 38 -1.616 -2.646 -15.662 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.625 -0.030 -15.126 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.467 -0.887 -15.549 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.598 1.351 -16.704 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.088 1.514 -15.007 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.884 1.627 -16.313 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.078 -0.610 -18.002 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.341 -0.390 -17.686 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.122 -1.948 -17.323 1.00 0.00 H new ATOM 560 N LEU A 39 -2.597 -1.416 -12.842 1.00 0.00 N ATOM 561 CA LEU A 39 -2.965 -1.346 -11.436 1.00 0.00 C ATOM 562 C LEU A 39 -1.728 -1.439 -10.543 1.00 0.00 C ATOM 563 O LEU A 39 -1.706 -0.802 -9.496 1.00 0.00 O ATOM 564 CB LEU A 39 -3.980 -2.445 -11.085 1.00 0.00 C ATOM 565 CG LEU A 39 -5.372 -2.206 -11.707 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.199 -3.491 -11.634 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.133 -1.076 -11.001 1.00 0.00 C ATOM 0 H LEU A 39 -2.929 -2.257 -13.314 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.436 -0.380 -11.256 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.597 -3.407 -11.426 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.079 -2.507 -10.001 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.219 -1.912 -12.745 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.181 -3.317 -12.074 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.690 -4.283 -12.183 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.316 -3.790 -10.592 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.107 -0.943 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.270 -1.331 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.563 -0.150 -11.078 1.00 0.00 H new ATOM 579 N GLU A 40 -0.686 -2.178 -10.932 1.00 0.00 N ATOM 580 CA GLU A 40 0.571 -2.194 -10.185 1.00 0.00 C ATOM 581 C GLU A 40 1.298 -0.848 -10.289 1.00 0.00 C ATOM 582 O GLU A 40 1.904 -0.397 -9.315 1.00 0.00 O ATOM 583 CB GLU A 40 1.475 -3.352 -10.632 1.00 0.00 C ATOM 584 CG GLU A 40 0.945 -4.710 -10.150 1.00 0.00 C ATOM 585 CD GLU A 40 1.881 -5.861 -10.561 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.849 -6.155 -9.822 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.650 -6.502 -11.611 1.00 0.00 O ATOM 0 H GLU A 40 -0.689 -2.773 -11.761 1.00 0.00 H new ATOM 0 HA GLU A 40 0.326 -2.356 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.549 -3.356 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.482 -3.197 -10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.839 -4.696 -9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.048 -4.882 -10.565 1.00 0.00 H new ATOM 594 N GLU A 41 1.235 -0.165 -11.433 1.00 0.00 N ATOM 595 CA GLU A 41 1.745 1.196 -11.554 1.00 0.00 C ATOM 596 C GLU A 41 0.928 2.139 -10.667 1.00 0.00 C ATOM 597 O GLU A 41 1.502 2.997 -10.001 1.00 0.00 O ATOM 598 CB GLU A 41 1.766 1.673 -13.018 1.00 0.00 C ATOM 599 CG GLU A 41 2.805 0.958 -13.898 1.00 0.00 C ATOM 600 CD GLU A 41 4.253 1.154 -13.415 1.00 0.00 C ATOM 601 OE1 GLU A 41 4.788 2.280 -13.523 1.00 0.00 O ATOM 602 OE2 GLU A 41 4.877 0.173 -12.947 1.00 0.00 O ATOM 0 H GLU A 41 0.832 -0.538 -12.293 1.00 0.00 H new ATOM 0 HA GLU A 41 2.780 1.205 -11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.777 1.526 -13.451 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.966 2.744 -13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.579 -0.108 -13.921 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.718 1.325 -14.921 1.00 0.00 H new ATOM 609 N LEU A 42 -0.394 1.962 -10.591 1.00 0.00 N ATOM 610 CA LEU A 42 -1.249 2.754 -9.715 1.00 0.00 C ATOM 611 C LEU A 42 -0.943 2.464 -8.241 1.00 0.00 C ATOM 612 O LEU A 42 -0.971 3.379 -7.421 1.00 0.00 O ATOM 613 CB LEU A 42 -2.723 2.475 -10.043 1.00 0.00 C ATOM 614 CG LEU A 42 -3.699 3.446 -9.351 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.598 4.873 -9.910 1.00 0.00 C ATOM 616 CD2 LEU A 42 -5.127 2.917 -9.528 1.00 0.00 C ATOM 0 H LEU A 42 -0.898 1.264 -11.137 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.048 3.812 -9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.865 2.536 -11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.966 1.455 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.435 3.498 -8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.306 5.519 -9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.586 5.251 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.830 4.864 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.829 3.595 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.362 2.851 -10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.207 1.928 -9.077 1.00 0.00 H new ATOM 628 N ASP A 43 -0.614 1.219 -7.890 1.00 0.00 N ATOM 629 CA ASP A 43 -0.216 0.836 -6.539 1.00 0.00 C ATOM 630 C ASP A 43 1.112 1.497 -6.160 1.00 0.00 C ATOM 631 O ASP A 43 1.279 1.951 -5.030 1.00 0.00 O ATOM 632 CB ASP A 43 -0.091 -0.685 -6.403 1.00 0.00 C ATOM 633 CG ASP A 43 0.533 -1.043 -5.051 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.171 -1.000 -4.019 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.755 -1.300 -4.996 1.00 0.00 O ATOM 0 H ASP A 43 -0.617 0.439 -8.548 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.996 1.180 -5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.074 -1.148 -6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.523 -1.081 -7.212 1.00 0.00 H new ATOM 640 N GLN A 44 2.050 1.597 -7.103 1.00 0.00 N ATOM 641 CA GLN A 44 3.287 2.335 -6.891 1.00 0.00 C ATOM 642 C GLN A 44 3.013 3.838 -6.741 1.00 0.00 C ATOM 643 O GLN A 44 3.651 4.505 -5.924 1.00 0.00 O ATOM 644 CB GLN A 44 4.245 2.056 -8.054 1.00 0.00 C ATOM 645 CG GLN A 44 4.867 0.653 -7.977 1.00 0.00 C ATOM 646 CD GLN A 44 5.470 0.274 -9.327 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.642 0.516 -9.607 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.657 -0.290 -10.203 1.00 0.00 N ATOM 0 H GLN A 44 1.971 1.171 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 44 3.751 2.001 -5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.708 2.161 -8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.039 2.803 -8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.637 0.630 -7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.108 -0.075 -7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.688 -0.482 -9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.999 -0.533 -11.133 1.00 0.00 H new ATOM 657 N GLU A 45 2.068 4.375 -7.515 1.00 0.00 N ATOM 658 CA GLU A 45 1.773 5.800 -7.571 1.00 0.00 C ATOM 659 C GLU A 45 1.015 6.275 -6.320 1.00 0.00 C ATOM 660 O GLU A 45 1.337 7.331 -5.775 1.00 0.00 O ATOM 661 CB GLU A 45 0.951 6.077 -8.844 1.00 0.00 C ATOM 662 CG GLU A 45 0.837 7.563 -9.204 1.00 0.00 C ATOM 663 CD GLU A 45 2.172 8.135 -9.707 1.00 0.00 C ATOM 664 OE1 GLU A 45 2.488 7.948 -10.904 1.00 0.00 O ATOM 665 OE2 GLU A 45 2.902 8.784 -8.923 1.00 0.00 O ATOM 0 H GLU A 45 1.477 3.817 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 45 2.710 6.357 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.406 5.545 -9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.051 5.668 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.074 7.693 -9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.508 8.124 -8.329 1.00 0.00 H new ATOM 672 N MET A 46 0.022 5.503 -5.858 1.00 0.00 N ATOM 673 CA MET A 46 -0.939 5.932 -4.837 1.00 0.00 C ATOM 674 C MET A 46 -1.337 4.820 -3.857 1.00 0.00 C ATOM 675 O MET A 46 -2.179 5.084 -2.999 1.00 0.00 O ATOM 676 CB MET A 46 -2.212 6.473 -5.522 1.00 0.00 C ATOM 677 CG MET A 46 -1.998 7.747 -6.341 1.00 0.00 C ATOM 678 SD MET A 46 -3.545 8.470 -6.954 1.00 0.00 S ATOM 679 CE MET A 46 -2.958 10.121 -7.416 1.00 0.00 C ATOM 0 H MET A 46 -0.137 4.551 -6.188 1.00 0.00 H new ATOM 0 HA MET A 46 -0.441 6.707 -4.254 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.615 5.699 -6.176 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.965 6.669 -4.759 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.479 8.483 -5.727 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.349 7.523 -7.187 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.771 10.679 -7.880 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.618 10.649 -6.525 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.132 10.029 -8.121 1.00 0.00 H new ATOM 689 N GLY A 47 -0.773 3.608 -3.940 1.00 0.00 N ATOM 690 CA GLY A 47 -1.161 2.419 -3.169 1.00 0.00 C ATOM 691 C GLY A 47 -0.713 2.463 -1.706 1.00 0.00 C ATOM 692 O GLY A 47 -0.058 1.542 -1.215 1.00 0.00 O ATOM 0 H GLY A 47 0.002 3.421 -4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.245 2.311 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.737 1.534 -3.644 1.00 0.00 H new ATOM 696 N ASP A 48 -1.030 3.566 -1.043 1.00 0.00 N ATOM 697 CA ASP A 48 -0.939 3.853 0.379 1.00 0.00 C ATOM 698 C ASP A 48 -1.979 4.934 0.694 1.00 0.00 C ATOM 699 O ASP A 48 -2.708 4.835 1.681 1.00 0.00 O ATOM 700 CB ASP A 48 0.456 4.375 0.728 1.00 0.00 C ATOM 701 CG ASP A 48 0.497 4.911 2.170 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.427 4.107 3.125 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.614 6.143 2.352 1.00 0.00 O ATOM 0 H ASP A 48 -1.399 4.372 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.121 2.948 0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.187 3.575 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.737 5.167 0.033 1.00 0.00 H new ATOM 708 N LYS A 49 -2.103 5.931 -0.195 1.00 0.00 N ATOM 709 CA LYS A 49 -3.172 6.925 -0.182 1.00 0.00 C ATOM 710 C LYS A 49 -4.530 6.257 -0.424 1.00 0.00 C ATOM 711 O LYS A 49 -5.528 6.677 0.161 1.00 0.00 O ATOM 712 CB LYS A 49 -2.904 8.022 -1.229 1.00 0.00 C ATOM 713 CG LYS A 49 -1.531 8.698 -1.042 1.00 0.00 C ATOM 714 CD LYS A 49 -1.304 9.894 -1.978 1.00 0.00 C ATOM 715 CE LYS A 49 -2.110 11.123 -1.535 1.00 0.00 C ATOM 716 NZ LYS A 49 -1.841 12.311 -2.385 1.00 0.00 N ATOM 0 H LYS A 49 -1.442 6.066 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.196 7.395 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.958 7.587 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.688 8.777 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.437 9.033 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.746 7.961 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.243 10.143 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.588 9.620 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.174 10.888 -1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.868 11.359 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.408 13.115 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.831 12.553 -2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.096 12.098 -3.370 1.00 0.00 H new ATOM 730 N LEU A 50 -4.559 5.197 -1.238 1.00 0.00 N ATOM 731 CA LEU A 50 -5.685 4.299 -1.425 1.00 0.00 C ATOM 732 C LEU A 50 -5.212 2.852 -1.316 1.00 0.00 C ATOM 733 O LEU A 50 -4.017 2.572 -1.416 1.00 0.00 O ATOM 734 CB LEU A 50 -6.426 4.591 -2.748 1.00 0.00 C ATOM 735 CG LEU A 50 -6.130 3.684 -3.969 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.265 3.831 -4.976 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.789 3.994 -4.630 1.00 0.00 C ATOM 0 H LEU A 50 -3.755 4.936 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.415 4.469 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.496 4.541 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.203 5.619 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.063 2.656 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.069 3.197 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.204 3.531 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.335 4.871 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.639 3.326 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.784 5.028 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.985 3.850 -3.908 1.00 0.00 H new ATOM 749 N LYS A 51 -6.163 1.931 -1.163 1.00 0.00 N ATOM 750 CA LYS A 51 -5.937 0.489 -1.241 1.00 0.00 C ATOM 751 C LYS A 51 -6.438 0.007 -2.605 1.00 0.00 C ATOM 752 O LYS A 51 -7.408 0.561 -3.125 1.00 0.00 O ATOM 753 CB LYS A 51 -6.704 -0.143 -0.071 1.00 0.00 C ATOM 754 CG LYS A 51 -6.486 -1.652 0.113 1.00 0.00 C ATOM 755 CD LYS A 51 -7.419 -2.232 1.189 1.00 0.00 C ATOM 756 CE LYS A 51 -7.212 -1.605 2.577 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.057 -2.274 3.586 1.00 0.00 N ATOM 0 H LYS A 51 -7.136 2.174 -0.977 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.886 0.211 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.415 0.365 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.769 0.039 -0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.660 -2.163 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.449 -1.839 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.454 -2.082 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.259 -3.308 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.163 -1.684 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.453 -0.543 2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.816 -1.917 4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.058 -2.077 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.893 -3.300 3.551 1.00 0.00 H new ATOM 771 N ILE A 52 -5.840 -1.042 -3.169 1.00 0.00 N ATOM 772 CA ILE A 52 -6.350 -1.706 -4.367 1.00 0.00 C ATOM 773 C ILE A 52 -6.667 -3.131 -3.925 1.00 0.00 C ATOM 774 O ILE A 52 -5.865 -3.734 -3.211 1.00 0.00 O ATOM 775 CB ILE A 52 -5.333 -1.638 -5.535 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.927 -0.170 -5.826 1.00 0.00 C ATOM 777 CG2 ILE A 52 -5.899 -2.327 -6.797 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.061 0.029 -7.076 1.00 0.00 C ATOM 0 H ILE A 52 -4.983 -1.457 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.240 -1.219 -4.765 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.434 -2.178 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.833 0.427 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.387 0.219 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.168 -2.267 -7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.111 -3.373 -6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.818 -1.828 -7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.830 1.088 -7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.134 -0.535 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.602 -0.324 -7.954 1.00 0.00 H new ATOM 790 N VAL A 53 -7.810 -3.669 -4.341 1.00 0.00 N ATOM 791 CA VAL A 53 -8.289 -4.998 -3.986 1.00 0.00 C ATOM 792 C VAL A 53 -8.673 -5.700 -5.292 1.00 0.00 C ATOM 793 O VAL A 53 -9.289 -5.100 -6.175 1.00 0.00 O ATOM 794 CB VAL A 53 -9.494 -4.891 -3.020 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.047 -6.262 -2.610 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.159 -4.142 -1.720 1.00 0.00 C ATOM 0 H VAL A 53 -8.451 -3.171 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.521 -5.572 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.237 -4.335 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.890 -6.126 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.378 -6.801 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.267 -6.834 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.044 -4.101 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.360 -4.665 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.835 -3.129 -1.957 1.00 0.00 H new ATOM 806 N LYS A 54 -8.329 -6.980 -5.406 1.00 0.00 N ATOM 807 CA LYS A 54 -8.783 -7.874 -6.465 1.00 0.00 C ATOM 808 C LYS A 54 -9.954 -8.685 -5.933 1.00 0.00 C ATOM 809 O LYS A 54 -9.888 -9.155 -4.793 1.00 0.00 O ATOM 810 CB LYS A 54 -7.628 -8.822 -6.827 1.00 0.00 C ATOM 811 CG LYS A 54 -6.474 -8.143 -7.565 1.00 0.00 C ATOM 812 CD LYS A 54 -6.917 -7.710 -8.962 1.00 0.00 C ATOM 813 CE LYS A 54 -5.704 -7.234 -9.759 1.00 0.00 C ATOM 814 NZ LYS A 54 -5.989 -7.232 -11.214 1.00 0.00 N ATOM 0 H LYS A 54 -7.706 -7.438 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.090 -7.311 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.244 -9.276 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.016 -9.631 -7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.132 -7.276 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.629 -8.827 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.399 -8.542 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.654 -6.910 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.425 -6.230 -9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.852 -7.882 -9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.538 -6.405 -11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.612 -8.101 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.017 -7.188 -11.366 1.00 0.00 H new ATOM 828 N ILE A 55 -10.988 -8.897 -6.751 1.00 0.00 N ATOM 829 CA ILE A 55 -12.118 -9.742 -6.372 1.00 0.00 C ATOM 830 C ILE A 55 -12.704 -10.414 -7.629 1.00 0.00 C ATOM 831 O ILE A 55 -12.949 -9.765 -8.646 1.00 0.00 O ATOM 832 CB ILE A 55 -13.112 -8.917 -5.515 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.340 -9.771 -5.137 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.499 -7.566 -6.149 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.145 -9.207 -3.959 1.00 0.00 C ATOM 0 H ILE A 55 -11.064 -8.492 -7.684 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.814 -10.570 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.593 -8.649 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.994 -9.855 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -14.008 -10.779 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.197 -7.043 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.604 -6.958 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.970 -7.740 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.992 -9.860 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.507 -9.149 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.508 -8.211 -4.210 1.00 0.00 H new ATOM 847 N ASP A 56 -12.865 -11.739 -7.587 1.00 0.00 N ATOM 848 CA ASP A 56 -13.313 -12.538 -8.733 1.00 0.00 C ATOM 849 C ASP A 56 -14.842 -12.519 -8.828 1.00 0.00 C ATOM 850 O ASP A 56 -15.504 -12.818 -7.831 1.00 0.00 O ATOM 851 CB ASP A 56 -12.811 -13.978 -8.582 1.00 0.00 C ATOM 852 CG ASP A 56 -13.304 -14.857 -9.740 1.00 0.00 C ATOM 853 OD1 ASP A 56 -14.473 -15.298 -9.701 1.00 0.00 O ATOM 854 OD2 ASP A 56 -12.515 -15.106 -10.679 1.00 0.00 O ATOM 0 H ASP A 56 -12.687 -12.293 -6.750 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.904 -12.110 -9.648 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.721 -13.986 -8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.158 -14.390 -7.635 1.00 0.00 H new ATOM 859 N VAL A 57 -15.418 -12.169 -9.985 1.00 0.00 N ATOM 860 CA VAL A 57 -16.871 -11.996 -10.121 1.00 0.00 C ATOM 861 C VAL A 57 -17.680 -13.292 -9.992 1.00 0.00 C ATOM 862 O VAL A 57 -18.847 -13.222 -9.614 1.00 0.00 O ATOM 863 CB VAL A 57 -17.253 -11.291 -11.444 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.859 -9.812 -11.415 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.673 -11.963 -12.698 1.00 0.00 C ATOM 0 H VAL A 57 -14.897 -11.999 -10.845 1.00 0.00 H new ATOM 0 HA VAL A 57 -17.138 -11.363 -9.275 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.337 -11.381 -11.515 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.140 -9.342 -12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.375 -9.314 -10.594 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.782 -9.725 -11.273 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.985 -11.411 -13.584 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.585 -11.968 -12.638 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -17.037 -12.988 -12.763 1.00 0.00 H new ATOM 875 N ASP A 58 -17.119 -14.461 -10.309 1.00 0.00 N ATOM 876 CA ASP A 58 -17.884 -15.709 -10.298 1.00 0.00 C ATOM 877 C ASP A 58 -17.933 -16.267 -8.881 1.00 0.00 C ATOM 878 O ASP A 58 -18.990 -16.698 -8.417 1.00 0.00 O ATOM 879 CB ASP A 58 -17.274 -16.743 -11.251 1.00 0.00 C ATOM 880 CG ASP A 58 -18.055 -18.065 -11.178 1.00 0.00 C ATOM 881 OD1 ASP A 58 -19.187 -18.131 -11.708 1.00 0.00 O ATOM 882 OD2 ASP A 58 -17.532 -19.055 -10.621 1.00 0.00 O ATOM 0 H ASP A 58 -16.140 -14.569 -10.576 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.896 -15.495 -10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -17.289 -16.360 -12.271 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.230 -16.915 -10.991 1.00 0.00 H new ATOM 887 N GLU A 59 -16.809 -16.195 -8.165 1.00 0.00 N ATOM 888 CA GLU A 59 -16.725 -16.587 -6.763 1.00 0.00 C ATOM 889 C GLU A 59 -17.472 -15.590 -5.865 1.00 0.00 C ATOM 890 O GLU A 59 -17.953 -15.975 -4.798 1.00 0.00 O ATOM 891 CB GLU A 59 -15.255 -16.703 -6.328 1.00 0.00 C ATOM 892 CG GLU A 59 -14.541 -17.885 -7.000 1.00 0.00 C ATOM 893 CD GLU A 59 -13.110 -18.062 -6.460 1.00 0.00 C ATOM 894 OE1 GLU A 59 -12.922 -18.787 -5.455 1.00 0.00 O ATOM 895 OE2 GLU A 59 -12.154 -17.506 -7.045 1.00 0.00 O ATOM 0 H GLU A 59 -15.925 -15.859 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.202 -17.561 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.732 -15.779 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.207 -16.820 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.110 -18.799 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.507 -17.726 -8.078 1.00 0.00 H new ATOM 902 N ASN A 60 -17.625 -14.334 -6.304 1.00 0.00 N ATOM 903 CA ASN A 60 -18.165 -13.228 -5.504 1.00 0.00 C ATOM 904 C ASN A 60 -19.303 -12.555 -6.259 1.00 0.00 C ATOM 905 O ASN A 60 -19.417 -11.329 -6.330 1.00 0.00 O ATOM 906 CB ASN A 60 -17.067 -12.244 -5.095 1.00 0.00 C ATOM 907 CG ASN A 60 -15.944 -12.967 -4.382 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.056 -13.281 -3.204 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.875 -13.291 -5.090 1.00 0.00 N ATOM 0 H ASN A 60 -17.370 -14.052 -7.250 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.571 -13.627 -4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.678 -11.737 -5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.484 -11.476 -4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.116 -13.816 -4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.810 -13.016 -6.070 1.00 0.00 H new ATOM 916 N GLN A 61 -20.147 -13.405 -6.832 1.00 0.00 N ATOM 917 CA GLN A 61 -21.369 -13.069 -7.538 1.00 0.00 C ATOM 918 C GLN A 61 -22.271 -12.166 -6.690 1.00 0.00 C ATOM 919 O GLN A 61 -22.879 -11.238 -7.218 1.00 0.00 O ATOM 920 CB GLN A 61 -22.039 -14.372 -8.015 1.00 0.00 C ATOM 921 CG GLN A 61 -22.617 -15.293 -6.923 1.00 0.00 C ATOM 922 CD GLN A 61 -21.645 -15.658 -5.793 1.00 0.00 C ATOM 923 OE1 GLN A 61 -21.791 -15.201 -4.666 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.570 -16.381 -6.059 1.00 0.00 N ATOM 0 H GLN A 61 -19.982 -14.411 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.149 -12.476 -8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.845 -14.109 -8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -21.307 -14.941 -8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -23.490 -14.808 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.964 -16.213 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.434 -16.768 -6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.877 -16.551 -5.330 1.00 0.00 H new ATOM 933 N GLU A 62 -22.308 -12.385 -5.372 1.00 0.00 N ATOM 934 CA GLU A 62 -23.053 -11.564 -4.432 1.00 0.00 C ATOM 935 C GLU A 62 -22.489 -10.144 -4.359 1.00 0.00 C ATOM 936 O GLU A 62 -23.268 -9.194 -4.300 1.00 0.00 O ATOM 937 CB GLU A 62 -23.018 -12.230 -3.046 1.00 0.00 C ATOM 938 CG GLU A 62 -24.069 -13.341 -2.888 1.00 0.00 C ATOM 939 CD GLU A 62 -25.506 -12.790 -2.815 1.00 0.00 C ATOM 940 OE1 GLU A 62 -25.946 -12.362 -1.723 1.00 0.00 O ATOM 941 OE2 GLU A 62 -26.222 -12.801 -3.843 1.00 0.00 O ATOM 0 H GLU A 62 -21.809 -13.155 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 62 -24.084 -11.485 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.026 -12.648 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.181 -11.472 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.991 -14.032 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.856 -13.912 -1.984 1.00 0.00 H new ATOM 948 N THR A 63 -21.164 -9.962 -4.375 1.00 0.00 N ATOM 949 CA THR A 63 -20.571 -8.635 -4.283 1.00 0.00 C ATOM 950 C THR A 63 -20.715 -7.902 -5.615 1.00 0.00 C ATOM 951 O THR A 63 -21.103 -6.743 -5.621 1.00 0.00 O ATOM 952 CB THR A 63 -19.100 -8.686 -3.856 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.837 -9.822 -3.075 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.656 -7.459 -3.057 1.00 0.00 C ATOM 0 H THR A 63 -20.487 -10.721 -4.451 1.00 0.00 H new ATOM 0 HA THR A 63 -21.111 -8.088 -3.510 1.00 0.00 H new ATOM 0 HB THR A 63 -18.538 -8.716 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.175 -9.680 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.605 -7.561 -2.787 1.00 0.00 H new ATOM 0 HG22 THR A 63 -18.790 -6.563 -3.663 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.257 -7.378 -2.151 1.00 0.00 H new ATOM 962 N ALA A 64 -20.471 -8.560 -6.750 1.00 0.00 N ATOM 963 CA ALA A 64 -20.671 -7.935 -8.053 1.00 0.00 C ATOM 964 C ALA A 64 -22.150 -7.552 -8.223 1.00 0.00 C ATOM 965 O ALA A 64 -22.472 -6.408 -8.557 1.00 0.00 O ATOM 966 CB ALA A 64 -20.184 -8.889 -9.150 1.00 0.00 C ATOM 0 H ALA A 64 -20.136 -9.522 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.089 -7.016 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.331 -8.427 -10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.125 -9.100 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.749 -9.820 -9.100 1.00 0.00 H new ATOM 972 N GLY A 65 -23.060 -8.471 -7.886 1.00 0.00 N ATOM 973 CA GLY A 65 -24.499 -8.245 -7.887 1.00 0.00 C ATOM 974 C GLY A 65 -24.932 -7.133 -6.929 1.00 0.00 C ATOM 975 O GLY A 65 -25.965 -6.506 -7.161 1.00 0.00 O ATOM 0 H GLY A 65 -22.804 -9.416 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.820 -7.992 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -25.006 -9.170 -7.614 1.00 0.00 H new ATOM 979 N LYS A 66 -24.125 -6.815 -5.908 1.00 0.00 N ATOM 980 CA LYS A 66 -24.365 -5.716 -4.969 1.00 0.00 C ATOM 981 C LYS A 66 -24.432 -4.362 -5.692 1.00 0.00 C ATOM 982 O LYS A 66 -25.026 -3.425 -5.159 1.00 0.00 O ATOM 983 CB LYS A 66 -23.265 -5.718 -3.887 1.00 0.00 C ATOM 984 CG LYS A 66 -23.762 -5.335 -2.488 1.00 0.00 C ATOM 985 CD LYS A 66 -22.607 -5.174 -1.481 1.00 0.00 C ATOM 986 CE LYS A 66 -21.610 -6.348 -1.378 1.00 0.00 C ATOM 987 NZ LYS A 66 -22.208 -7.636 -0.925 1.00 0.00 N ATOM 0 H LYS A 66 -23.267 -7.329 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.333 -5.867 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.816 -6.710 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.478 -5.025 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.323 -4.402 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.451 -6.099 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.049 -4.275 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.037 -5.005 -0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.148 -6.501 -2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.813 -6.071 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.484 -8.382 -0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.564 -7.531 0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.994 -7.895 -1.555 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.877 -4.270 -6.908 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.876 -3.073 -7.750 1.00 0.00 C ATOM 1003 C TYR A 67 -24.487 -3.379 -9.127 1.00 0.00 C ATOM 1004 O TYR A 67 -24.377 -2.568 -10.049 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.439 -2.528 -7.879 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.585 -2.698 -6.638 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.792 -1.885 -5.506 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.652 -3.750 -6.587 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.078 -2.132 -4.322 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -19.942 -4.011 -5.406 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.164 -3.208 -4.265 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.532 -3.505 -3.098 1.00 0.00 O ATOM 0 H TYR A 67 -23.400 -5.058 -7.346 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.493 -2.306 -7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.948 -3.029 -8.713 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.488 -1.468 -8.128 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.500 -1.071 -5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.482 -4.360 -7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.227 -1.502 -3.458 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.229 -4.822 -5.369 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.591 -3.711 -3.279 1.00 0.00 H new ATOM 1022 N GLY A 68 -25.105 -4.557 -9.293 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.624 -5.046 -10.564 1.00 0.00 C ATOM 1024 C GLY A 68 -24.528 -5.304 -11.606 1.00 0.00 C ATOM 1025 O GLY A 68 -24.813 -5.278 -12.805 1.00 0.00 O ATOM 0 H GLY A 68 -25.258 -5.208 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -26.177 -5.969 -10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -26.332 -4.320 -10.963 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.282 -5.523 -11.175 1.00 0.00 N ATOM 1030 CA VAL A 69 -22.154 -5.804 -12.054 1.00 0.00 C ATOM 1031 C VAL A 69 -22.064 -7.316 -12.291 1.00 0.00 C ATOM 1032 O VAL A 69 -22.475 -8.131 -11.464 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.856 -5.216 -11.444 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.579 -5.647 -12.188 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.916 -3.676 -11.469 1.00 0.00 C ATOM 0 H VAL A 69 -23.030 -5.509 -10.187 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.295 -5.327 -13.024 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.803 -5.603 -10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.709 -5.199 -11.707 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.490 -6.733 -12.159 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.632 -5.315 -13.225 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.001 -3.269 -11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.017 -3.332 -12.499 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.773 -3.336 -10.887 1.00 0.00 H new ATOM 1045 N MET A 70 -21.485 -7.654 -13.443 1.00 0.00 N ATOM 1046 CA MET A 70 -21.023 -8.978 -13.851 1.00 0.00 C ATOM 1047 C MET A 70 -20.017 -8.847 -15.010 1.00 0.00 C ATOM 1048 O MET A 70 -19.191 -9.740 -15.199 1.00 0.00 O ATOM 1049 CB MET A 70 -22.199 -9.897 -14.247 1.00 0.00 C ATOM 1050 CG MET A 70 -22.433 -10.998 -13.204 1.00 0.00 C ATOM 1051 SD MET A 70 -21.052 -12.162 -13.002 1.00 0.00 S ATOM 1052 CE MET A 70 -21.635 -13.093 -11.559 1.00 0.00 C ATOM 0 H MET A 70 -21.315 -6.957 -14.168 1.00 0.00 H new ATOM 0 HA MET A 70 -20.527 -9.441 -12.998 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.105 -9.302 -14.358 1.00 0.00 H new ATOM 0 HB3 MET A 70 -21.996 -10.351 -15.217 1.00 0.00 H new ATOM 0 HG2 MET A 70 -22.639 -10.529 -12.242 1.00 0.00 H new ATOM 0 HG3 MET A 70 -23.325 -11.559 -13.482 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.901 -13.855 -11.297 1.00 0.00 H new ATOM 0 HE2 MET A 70 -21.769 -12.413 -10.717 1.00 0.00 H new ATOM 0 HE3 MET A 70 -22.586 -13.571 -11.794 1.00 0.00 H new ATOM 1062 N SER A 71 -20.048 -7.740 -15.768 1.00 0.00 N ATOM 1063 CA SER A 71 -19.050 -7.406 -16.774 1.00 0.00 C ATOM 1064 C SER A 71 -17.690 -7.197 -16.103 1.00 0.00 C ATOM 1065 O SER A 71 -17.636 -6.790 -14.936 1.00 0.00 O ATOM 1066 CB SER A 71 -19.484 -6.125 -17.502 1.00 0.00 C ATOM 1067 OG SER A 71 -20.854 -6.195 -17.877 1.00 0.00 O ATOM 0 H SER A 71 -20.788 -7.042 -15.690 1.00 0.00 H new ATOM 0 HA SER A 71 -18.963 -8.220 -17.494 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.323 -5.262 -16.856 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.867 -5.979 -18.389 1.00 0.00 H new ATOM 0 HG SER A 71 -21.110 -5.369 -18.337 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.596 -7.425 -16.832 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.235 -7.306 -16.324 1.00 0.00 C ATOM 1075 C ILE A 72 -14.304 -6.812 -17.449 1.00 0.00 C ATOM 1076 O ILE A 72 -14.622 -7.033 -18.622 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.760 -8.671 -15.773 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.907 -9.811 -16.810 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.476 -9.011 -14.458 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -14.355 -11.151 -16.332 1.00 0.00 C ATOM 0 H ILE A 72 -16.636 -7.703 -17.812 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.209 -6.581 -15.511 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.694 -8.579 -15.565 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -15.962 -9.930 -17.058 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -14.394 -9.524 -17.728 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -15.125 -9.975 -14.091 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.261 -8.241 -13.717 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.551 -9.059 -14.631 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -14.493 -11.900 -17.111 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -13.292 -11.049 -16.111 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -14.884 -11.462 -15.431 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.155 -6.181 -17.133 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.786 -5.691 -15.811 1.00 0.00 C ATOM 1094 C PRO A 73 -13.695 -4.518 -15.443 1.00 0.00 C ATOM 1095 O PRO A 73 -13.993 -3.671 -16.291 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.321 -5.247 -15.912 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.105 -4.970 -17.400 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.121 -5.869 -18.102 1.00 0.00 C ATOM 0 HA PRO A 73 -12.899 -6.451 -15.038 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.134 -4.357 -15.312 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.646 -6.023 -15.551 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.272 -3.919 -17.638 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.086 -5.207 -17.705 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.546 -5.365 -18.970 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.644 -6.780 -18.464 1.00 0.00 H new ATOM 1106 N THR A 74 -14.107 -4.458 -14.181 1.00 0.00 N ATOM 1107 CA THR A 74 -14.949 -3.393 -13.664 1.00 0.00 C ATOM 1108 C THR A 74 -14.293 -2.911 -12.379 1.00 0.00 C ATOM 1109 O THR A 74 -13.987 -3.699 -11.487 1.00 0.00 O ATOM 1110 CB THR A 74 -16.391 -3.892 -13.479 1.00 0.00 C ATOM 1111 OG1 THR A 74 -16.932 -4.226 -14.739 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.298 -2.833 -12.842 1.00 0.00 C ATOM 0 H THR A 74 -13.860 -5.159 -13.482 1.00 0.00 H new ATOM 0 HA THR A 74 -15.031 -2.554 -14.354 1.00 0.00 H new ATOM 0 HB THR A 74 -16.350 -4.756 -12.816 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.184 -5.173 -14.746 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.305 -3.235 -12.733 1.00 0.00 H new ATOM 0 HG22 THR A 74 -16.907 -2.562 -11.861 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.327 -1.948 -13.478 1.00 0.00 H new ATOM 1120 N LEU A 75 -14.030 -1.611 -12.307 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.338 -0.979 -11.208 1.00 0.00 C ATOM 1122 C LEU A 75 -14.403 -0.263 -10.397 1.00 0.00 C ATOM 1123 O LEU A 75 -14.942 0.764 -10.817 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.247 -0.021 -11.709 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.226 -0.644 -12.682 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.122 0.375 -12.969 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.601 -1.946 -12.175 1.00 0.00 C ATOM 0 H LEU A 75 -14.304 -0.955 -13.038 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.815 -1.711 -10.593 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.726 0.825 -12.202 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.710 0.375 -10.847 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.774 -0.901 -13.589 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.396 -0.059 -13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.558 1.267 -13.418 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.624 0.644 -12.038 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.894 -2.322 -12.914 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.079 -1.758 -11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.384 -2.686 -12.012 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.749 -0.854 -9.263 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.565 -0.203 -8.252 1.00 0.00 C ATOM 1141 C LEU A 76 -14.627 0.737 -7.507 1.00 0.00 C ATOM 1142 O LEU A 76 -13.470 0.385 -7.264 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.152 -1.266 -7.299 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.625 -1.635 -7.553 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -18.553 -0.515 -7.080 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -17.896 -1.984 -9.022 1.00 0.00 C ATOM 0 H LEU A 76 -14.469 -1.804 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.403 0.343 -8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.549 -2.171 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.056 -0.905 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.834 -2.532 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -19.589 -0.797 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.411 -0.351 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -18.322 0.402 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -18.949 -2.237 -9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -17.651 -1.128 -9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -17.281 -2.836 -9.313 1.00 0.00 H new ATOM 1158 N VAL A 77 -15.120 1.902 -7.104 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.383 2.817 -6.254 1.00 0.00 C ATOM 1160 C VAL A 77 -15.266 2.950 -5.028 1.00 0.00 C ATOM 1161 O VAL A 77 -16.425 3.364 -5.143 1.00 0.00 O ATOM 1162 CB VAL A 77 -14.113 4.166 -6.952 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -13.060 4.962 -6.164 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.624 4.022 -8.403 1.00 0.00 C ATOM 0 H VAL A 77 -16.048 2.237 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.386 2.456 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 77 -15.070 4.687 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.875 5.913 -6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.425 5.147 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.133 4.391 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.455 5.011 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.693 3.456 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.377 3.497 -8.990 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.739 2.547 -3.876 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.389 2.676 -2.579 1.00 0.00 C ATOM 1176 C LEU A 78 -14.561 3.645 -1.741 1.00 0.00 C ATOM 1177 O LEU A 78 -13.374 3.849 -2.004 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.519 1.309 -1.866 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.751 0.479 -2.281 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -16.634 -0.123 -3.685 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.018 -0.653 -1.289 1.00 0.00 C ATOM 0 H LEU A 78 -13.820 2.108 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.403 3.053 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.621 0.724 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.558 1.478 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 78 -17.582 1.185 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -17.534 -0.694 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.518 0.678 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.767 -0.782 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.893 -1.219 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.152 -1.314 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.200 -0.234 -0.299 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.168 4.215 -0.702 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.478 4.999 0.308 1.00 0.00 C ATOM 1195 C LYS A 79 -15.143 4.697 1.636 1.00 0.00 C ATOM 1196 O LYS A 79 -16.365 4.804 1.730 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.544 6.494 -0.044 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.686 7.343 0.909 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.654 8.809 0.451 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.526 9.583 1.151 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.360 10.938 0.575 1.00 0.00 N ATOM 0 H LYS A 79 -16.172 4.141 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.420 4.741 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.203 6.642 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.579 6.832 -0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.088 7.282 1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.672 6.946 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.513 8.853 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.612 9.282 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.745 9.663 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.591 9.030 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.403 11.288 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.499 10.897 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.061 11.582 0.994 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.347 4.330 2.644 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.789 4.080 4.019 1.00 0.00 C ATOM 1217 C ASP A 80 -16.089 3.248 4.104 1.00 0.00 C ATOM 1218 O ASP A 80 -16.961 3.497 4.938 1.00 0.00 O ATOM 1219 CB ASP A 80 -14.855 5.415 4.781 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.102 5.229 6.289 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.443 4.371 6.917 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -15.911 5.989 6.871 1.00 0.00 O ATOM 0 H ASP A 80 -13.344 4.194 2.521 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.051 3.446 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.921 5.958 4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.651 6.030 4.360 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.233 2.263 3.209 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.270 1.242 3.272 1.00 0.00 C ATOM 1229 C GLY A 81 -18.417 1.416 2.278 1.00 0.00 C ATOM 1230 O GLY A 81 -19.273 0.531 2.219 1.00 0.00 O ATOM 0 H GLY A 81 -15.614 2.157 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.809 0.269 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.683 1.229 4.280 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.468 2.499 1.491 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.565 2.761 0.563 1.00 0.00 C ATOM 1236 C GLU A 82 -19.029 3.088 -0.831 1.00 0.00 C ATOM 1237 O GLU A 82 -17.925 3.617 -0.964 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.461 3.868 1.139 1.00 0.00 C ATOM 1239 CG GLU A 82 -19.879 5.289 1.089 1.00 0.00 C ATOM 1240 CD GLU A 82 -20.847 6.310 1.714 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -21.714 6.858 0.996 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -20.748 6.590 2.931 1.00 0.00 O ATOM 0 H GLU A 82 -17.744 3.218 1.484 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.178 1.868 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.407 3.863 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.687 3.624 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.927 5.314 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.674 5.565 0.055 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.794 2.747 -1.871 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.451 3.036 -3.259 1.00 0.00 C ATOM 1251 C VAL A 83 -19.470 4.548 -3.480 1.00 0.00 C ATOM 1252 O VAL A 83 -20.345 5.264 -2.985 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.366 2.228 -4.210 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -21.868 2.517 -4.046 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -19.966 2.414 -5.678 1.00 0.00 C ATOM 0 H VAL A 83 -20.682 2.255 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.437 2.711 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.211 1.190 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -22.435 1.908 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -22.176 2.276 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -22.059 3.572 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.632 1.831 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -20.041 3.468 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.940 2.076 -5.821 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.501 5.007 -4.266 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.373 6.374 -4.734 1.00 0.00 C ATOM 1267 C VAL A 84 -18.230 6.416 -6.262 1.00 0.00 C ATOM 1268 O VAL A 84 -18.555 7.453 -6.839 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.249 7.123 -3.980 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.545 7.223 -2.474 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -15.857 6.497 -4.157 1.00 0.00 C ATOM 0 H VAL A 84 -17.752 4.405 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.291 6.914 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.233 8.115 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.733 7.755 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.479 7.763 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.632 6.221 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.123 7.078 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.869 5.473 -3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.591 6.495 -5.214 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.845 5.317 -6.937 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.910 5.243 -8.405 1.00 0.00 C ATOM 1283 C GLU A 85 -17.916 3.789 -8.892 1.00 0.00 C ATOM 1284 O GLU A 85 -17.616 2.866 -8.135 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.740 6.025 -9.058 1.00 0.00 C ATOM 1286 CG GLU A 85 -17.179 7.247 -9.887 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.933 6.898 -11.185 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.956 6.181 -11.127 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -17.533 7.384 -12.267 1.00 0.00 O ATOM 0 H GLU A 85 -17.488 4.473 -6.490 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.847 5.708 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.059 6.358 -8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.179 5.347 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.817 7.880 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.297 7.835 -10.140 1.00 0.00 H new ATOM 1296 N THR A 86 -18.227 3.584 -10.172 1.00 0.00 N ATOM 1297 CA THR A 86 -18.095 2.328 -10.901 1.00 0.00 C ATOM 1298 C THR A 86 -17.667 2.676 -12.333 1.00 0.00 C ATOM 1299 O THR A 86 -18.257 3.562 -12.960 1.00 0.00 O ATOM 1300 CB THR A 86 -19.437 1.572 -10.873 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.771 1.241 -9.543 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.444 0.291 -11.718 1.00 0.00 C ATOM 0 H THR A 86 -18.598 4.332 -10.758 1.00 0.00 H new ATOM 0 HA THR A 86 -17.349 1.675 -10.448 1.00 0.00 H new ATOM 0 HB THR A 86 -20.172 2.248 -11.310 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.626 0.762 -9.530 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.422 -0.185 -11.648 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.235 0.540 -12.758 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.680 -0.393 -11.348 1.00 0.00 H new ATOM 1310 N SER A 87 -16.671 1.960 -12.854 1.00 0.00 N ATOM 1311 CA SER A 87 -16.077 2.187 -14.172 1.00 0.00 C ATOM 1312 C SER A 87 -15.767 0.832 -14.809 1.00 0.00 C ATOM 1313 O SER A 87 -15.562 -0.140 -14.086 1.00 0.00 O ATOM 1314 CB SER A 87 -14.796 3.022 -14.018 1.00 0.00 C ATOM 1315 OG SER A 87 -15.057 4.251 -13.356 1.00 0.00 O ATOM 0 H SER A 87 -16.241 1.181 -12.355 1.00 0.00 H new ATOM 0 HA SER A 87 -16.769 2.733 -14.813 1.00 0.00 H new ATOM 0 HB2 SER A 87 -14.055 2.454 -13.456 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.368 3.220 -15.001 1.00 0.00 H new ATOM 0 HG SER A 87 -14.224 4.760 -13.271 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.728 0.736 -16.140 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.600 -0.541 -16.848 1.00 0.00 C ATOM 1323 C VAL A 88 -14.521 -0.395 -17.925 1.00 0.00 C ATOM 1324 O VAL A 88 -14.348 0.687 -18.497 1.00 0.00 O ATOM 1325 CB VAL A 88 -16.975 -0.960 -17.434 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -16.942 -2.368 -18.053 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.101 -0.953 -16.383 1.00 0.00 C ATOM 0 H VAL A 88 -15.784 1.544 -16.760 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.294 -1.335 -16.167 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.180 -0.213 -18.201 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -17.927 -2.615 -18.449 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.210 -2.394 -18.860 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.666 -3.095 -17.289 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.038 -1.254 -16.852 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.855 -1.650 -15.582 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.208 0.050 -15.971 1.00 0.00 H new ATOM 1337 N GLY A 89 -13.818 -1.490 -18.215 1.00 0.00 N ATOM 1338 CA GLY A 89 -12.871 -1.592 -19.316 1.00 0.00 C ATOM 1339 C GLY A 89 -11.464 -1.148 -18.919 1.00 0.00 C ATOM 1340 O GLY A 89 -11.241 -0.608 -17.831 1.00 0.00 O ATOM 0 H GLY A 89 -13.896 -2.351 -17.674 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.838 -2.623 -19.668 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.220 -0.982 -20.149 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.505 -1.396 -19.813 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.121 -0.969 -19.647 1.00 0.00 C ATOM 1346 C PHE A 90 -9.051 0.558 -19.668 1.00 0.00 C ATOM 1347 O PHE A 90 -9.608 1.188 -20.570 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.266 -1.583 -20.765 1.00 0.00 C ATOM 1349 CG PHE A 90 -6.799 -1.197 -20.722 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.361 -0.004 -21.332 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -5.865 -2.037 -20.088 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -5.001 0.351 -21.298 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -4.503 -1.691 -20.070 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.070 -0.495 -20.669 1.00 0.00 C ATOM 0 H PHE A 90 -10.673 -1.905 -20.681 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.732 -1.312 -18.688 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.344 -2.669 -20.710 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.679 -1.282 -21.728 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.073 0.640 -21.827 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.195 -2.950 -19.614 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.671 1.273 -21.755 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.787 -2.345 -19.595 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.024 -0.226 -20.646 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.319 1.138 -18.712 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.045 2.569 -18.585 1.00 0.00 C ATOM 1366 C LYS A 91 -6.547 2.704 -18.284 1.00 0.00 C ATOM 1367 O LYS A 91 -6.018 1.855 -17.561 1.00 0.00 O ATOM 1368 CB LYS A 91 -8.861 3.167 -17.417 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.103 3.979 -17.810 1.00 0.00 C ATOM 1370 CD LYS A 91 -11.198 3.177 -18.527 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.512 3.968 -18.577 1.00 0.00 C ATOM 1372 NZ LYS A 91 -13.554 3.272 -19.374 1.00 0.00 N ATOM 0 H LYS A 91 -7.880 0.593 -17.970 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.320 3.099 -19.497 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.176 2.352 -16.765 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.203 3.808 -16.831 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.528 4.424 -16.910 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.793 4.801 -18.456 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.874 2.937 -19.540 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.358 2.230 -18.011 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.878 4.126 -17.563 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.326 4.953 -19.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.419 3.850 -19.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.210 3.128 -20.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.764 2.350 -18.941 1.00 0.00 H new ATOM 1386 N PRO A 92 -5.862 3.740 -18.799 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.454 3.979 -18.505 1.00 0.00 C ATOM 1388 C PRO A 92 -4.282 4.477 -17.067 1.00 0.00 C ATOM 1389 O PRO A 92 -5.206 5.052 -16.485 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.010 5.028 -19.530 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.284 5.828 -19.799 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.384 4.773 -19.685 1.00 0.00 C ATOM 0 HA PRO A 92 -3.851 3.074 -18.578 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.214 5.661 -19.137 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.628 4.564 -20.439 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.418 6.630 -19.073 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.269 6.290 -20.786 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.299 5.206 -19.282 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.631 4.360 -20.663 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.076 4.333 -16.503 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.786 4.726 -15.122 1.00 0.00 C ATOM 1402 C LYS A 93 -3.095 6.201 -14.894 1.00 0.00 C ATOM 1403 O LYS A 93 -3.593 6.553 -13.834 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.314 4.414 -14.806 1.00 0.00 C ATOM 1405 CG LYS A 93 -0.917 4.642 -13.331 1.00 0.00 C ATOM 1406 CD LYS A 93 0.435 5.361 -13.235 1.00 0.00 C ATOM 1407 CE LYS A 93 0.317 6.856 -13.576 1.00 0.00 C ATOM 1408 NZ LYS A 93 1.624 7.557 -13.492 1.00 0.00 N ATOM 0 H LYS A 93 -2.273 3.940 -16.994 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.425 4.156 -14.447 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.111 3.376 -15.068 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.680 5.033 -15.440 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.684 5.233 -12.830 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.863 3.685 -12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.834 5.249 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.146 4.889 -13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.088 6.966 -14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.390 7.327 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.651 8.326 -14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.745 7.952 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.392 6.884 -13.688 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.829 7.066 -15.873 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.096 8.499 -15.757 1.00 0.00 C ATOM 1424 C GLU A 94 -4.588 8.783 -15.540 1.00 0.00 C ATOM 1425 O GLU A 94 -4.938 9.658 -14.745 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.575 9.242 -16.998 1.00 0.00 C ATOM 1427 CG GLU A 94 -1.046 9.172 -17.118 1.00 0.00 C ATOM 1428 CD GLU A 94 -0.536 9.979 -18.326 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -0.241 11.187 -18.178 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.407 9.412 -19.435 1.00 0.00 O ATOM 0 H GLU A 94 -2.423 6.793 -16.768 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.565 8.866 -14.879 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.028 8.814 -17.892 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.886 10.286 -16.952 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.591 9.555 -16.205 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.735 8.132 -17.217 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.472 8.019 -16.187 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.907 8.130 -15.981 1.00 0.00 C ATOM 1439 C ALA A 95 -7.299 7.566 -14.619 1.00 0.00 C ATOM 1440 O ALA A 95 -8.118 8.156 -13.918 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.647 7.365 -17.075 1.00 0.00 C ATOM 0 H ALA A 95 -5.206 7.307 -16.868 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.180 9.185 -16.019 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.722 7.451 -16.916 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.390 7.782 -18.049 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.359 6.314 -17.043 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.713 6.431 -14.229 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.014 5.793 -12.957 1.00 0.00 C ATOM 1449 C LEU A 96 -6.594 6.694 -11.801 1.00 0.00 C ATOM 1450 O LEU A 96 -7.362 6.859 -10.858 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.329 4.422 -12.829 1.00 0.00 C ATOM 1452 CG LEU A 96 -6.769 3.351 -13.846 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -6.040 2.033 -13.561 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -8.281 3.114 -13.816 1.00 0.00 C ATOM 0 H LEU A 96 -6.020 5.934 -14.788 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.091 5.633 -12.919 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.253 4.565 -12.924 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.512 4.039 -11.825 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.509 3.718 -14.839 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.355 1.280 -14.283 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.964 2.187 -13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.282 1.694 -12.554 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.544 2.352 -14.549 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.577 2.779 -12.822 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.800 4.042 -14.056 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.414 7.318 -11.866 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.968 8.197 -10.792 1.00 0.00 C ATOM 1468 C GLN A 97 -5.806 9.471 -10.775 1.00 0.00 C ATOM 1469 O GLN A 97 -6.037 10.025 -9.704 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.452 8.460 -10.839 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.962 9.321 -12.006 1.00 0.00 C ATOM 1472 CD GLN A 97 -3.153 10.832 -11.832 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.678 11.433 -10.873 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.841 11.476 -12.763 1.00 0.00 N ATOM 0 H GLN A 97 -4.760 7.230 -12.644 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.131 7.690 -9.841 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.157 8.942 -9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.937 7.500 -10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.902 9.121 -12.163 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.483 9.008 -12.911 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.230 10.964 -13.555 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.981 12.484 -12.688 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.305 9.922 -11.933 1.00 0.00 N ATOM 1484 CA GLU A 98 -7.193 11.071 -11.990 1.00 0.00 C ATOM 1485 C GLU A 98 -8.481 10.704 -11.254 1.00 0.00 C ATOM 1486 O GLU A 98 -8.884 11.420 -10.338 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.434 11.503 -13.446 1.00 0.00 C ATOM 1488 CG GLU A 98 -8.367 12.716 -13.538 1.00 0.00 C ATOM 1489 CD GLU A 98 -8.489 13.227 -14.984 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -9.362 12.738 -15.736 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -7.729 14.140 -15.379 1.00 0.00 O ATOM 0 H GLU A 98 -6.103 9.502 -12.840 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.745 11.935 -11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.480 11.743 -13.916 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.864 10.672 -14.004 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.354 12.446 -13.162 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.990 13.515 -12.899 1.00 0.00 H new ATOM 1498 N LEU A 99 -9.059 9.546 -11.580 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.274 9.045 -10.947 1.00 0.00 C ATOM 1500 C LEU A 99 -10.081 8.928 -9.435 1.00 0.00 C ATOM 1501 O LEU A 99 -10.930 9.381 -8.672 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.659 7.695 -11.580 1.00 0.00 C ATOM 1503 CG LEU A 99 -11.867 6.992 -10.928 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.150 7.827 -11.012 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.088 5.644 -11.626 1.00 0.00 C ATOM 0 H LEU A 99 -8.690 8.925 -12.300 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.091 9.747 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.877 7.855 -12.636 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.798 7.028 -11.529 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.643 6.854 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.968 7.285 -10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.000 8.778 -10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.395 8.013 -12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.940 5.136 -11.174 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.284 5.811 -12.685 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.197 5.026 -11.515 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.956 8.367 -8.991 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.656 8.218 -7.577 1.00 0.00 C ATOM 1519 C VAL A 100 -8.548 9.592 -6.920 1.00 0.00 C ATOM 1520 O VAL A 100 -9.191 9.816 -5.896 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.391 7.352 -7.402 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.817 7.419 -5.979 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.723 5.888 -7.741 1.00 0.00 C ATOM 0 H VAL A 100 -8.229 8.004 -9.608 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.466 7.695 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.635 7.748 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.929 6.791 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.551 8.449 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.564 7.065 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.830 5.275 -7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.505 5.528 -7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.069 5.823 -8.773 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.789 10.534 -7.489 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.573 11.835 -6.852 1.00 0.00 C ATOM 1535 C ASN A 101 -8.864 12.652 -6.732 1.00 0.00 C ATOM 1536 O ASN A 101 -8.987 13.453 -5.808 1.00 0.00 O ATOM 1537 CB ASN A 101 -6.426 12.625 -7.508 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.864 13.843 -8.316 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -6.733 14.979 -7.873 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -7.368 13.636 -9.518 1.00 0.00 N ATOM 0 H ASN A 101 -7.316 10.420 -8.386 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.253 11.629 -5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.738 12.953 -6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.870 11.954 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.655 14.427 -10.094 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.470 12.685 -9.871 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.847 12.414 -7.609 1.00 0.00 N ATOM 1548 CA LYS A 102 -11.184 12.997 -7.467 1.00 0.00 C ATOM 1549 C LYS A 102 -11.935 12.472 -6.233 1.00 0.00 C ATOM 1550 O LYS A 102 -12.870 13.145 -5.793 1.00 0.00 O ATOM 1551 CB LYS A 102 -12.018 12.768 -8.743 1.00 0.00 C ATOM 1552 CG LYS A 102 -11.543 13.560 -9.974 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.758 15.077 -9.839 1.00 0.00 C ATOM 1554 CE LYS A 102 -11.380 15.776 -11.153 1.00 0.00 C ATOM 1555 NZ LYS A 102 -11.578 17.246 -11.084 1.00 0.00 N ATOM 0 H LYS A 102 -9.739 11.817 -8.429 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.043 14.068 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.003 11.705 -8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -13.055 13.033 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.484 13.363 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.074 13.201 -10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.799 15.285 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.152 15.468 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.338 15.562 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.981 15.368 -11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.310 17.675 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.578 17.453 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.985 17.641 -10.326 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.549 11.328 -5.654 1.00 0.00 N ATOM 1570 CA HIS A 103 -12.212 10.731 -4.492 1.00 0.00 C ATOM 1571 C HIS A 103 -11.345 10.728 -3.227 1.00 0.00 C ATOM 1572 O HIS A 103 -11.902 10.553 -2.142 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.677 9.306 -4.829 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.774 9.266 -5.863 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -15.063 9.730 -5.710 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.675 8.763 -7.132 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.721 9.508 -6.861 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.912 8.926 -7.764 1.00 0.00 N ATOM 0 H HIS A 103 -10.753 10.783 -5.987 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.073 11.360 -4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.826 8.729 -5.190 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -13.028 8.821 -3.918 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.449 10.165 -4.872 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.794 8.317 -7.570 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.756 9.762 -7.036 1.00 0.00 H new ATOM 1586 N LEU A 104 -10.022 10.927 -3.321 1.00 0.00 N ATOM 1587 CA LEU A 104 -9.146 11.097 -2.157 1.00 0.00 C ATOM 1588 C LEU A 104 -9.675 12.224 -1.275 1.00 0.00 C ATOM 1589 O LEU A 104 -9.864 11.987 -0.064 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.684 11.373 -2.561 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.924 10.191 -3.194 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.504 10.636 -3.555 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.844 8.963 -2.280 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.892 13.343 -1.790 1.00 0.00 O ATOM 0 H LEU A 104 -9.529 10.974 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.151 10.161 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.673 12.205 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.138 11.698 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.484 9.896 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.964 9.802 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.551 11.461 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.985 10.962 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.297 8.168 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.328 9.229 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.851 8.618 -2.045 1.00 0.00 H new