USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 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 55 ASN : amide:sc= -0.871! C(o=-14!,f=-18!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -9.63! C(o=-14!,f=-21!) USER MOD Set 1.3: A 61 TYR OH : rot -15:sc= -3.79! USER MOD Set 2.1: A 20 SER OG : rot 90:sc= -0.811 USER MOD Set 2.2: A 24 GLN : amide:sc= -3.65! C(o=-4.5!,f=-12!) USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 15 GLN : amide:sc= -0.603 K(o=-0.6,f=-3.5!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.085 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 160:sc= -1.27 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.39 K(o=-2.4,f=-11!) USER MOD Single : A 35 THR OG1 : rot 32:sc= 0.194 USER MOD Single : A 37 MET CE :methyl 149:sc= -0.353 (180deg=-1.11) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.73 USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= 0.0111 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.016) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.13 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.12 K(o=0.12,f=-4.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 66:sc= 0.4 USER MOD Single : A 81 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.9!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.556 K(o=-0.56,f=-3.4!) USER MOD Single : A 87 LYS NZ :NH3+ 143:sc= -0.209 (180deg=-1.36) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.371 14.384 4.123 1.00 0.00 N ATOM 2 CA ALA A 1 -13.344 15.513 4.132 1.00 0.00 C ATOM 3 C ALA A 1 -13.215 16.307 2.830 1.00 0.00 C ATOM 4 O ALA A 1 -14.187 16.559 2.146 1.00 0.00 O ATOM 5 CB ALA A 1 -13.050 16.432 5.320 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.458 13.844 5.007 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.571 13.760 3.315 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.405 14.759 4.040 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.356 15.119 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.762 17.258 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.141 15.867 6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.038 16.826 5.233 1.00 0.00 H new ATOM 13 N GLU A 2 -12.022 16.703 2.484 1.00 0.00 N ATOM 14 CA GLU A 2 -11.832 17.482 1.226 1.00 0.00 C ATOM 15 C GLU A 2 -10.368 17.383 0.791 1.00 0.00 C ATOM 16 O GLU A 2 -9.661 18.369 0.729 1.00 0.00 O ATOM 17 CB GLU A 2 -12.196 18.960 1.447 1.00 0.00 C ATOM 18 CG GLU A 2 -12.771 19.166 2.852 1.00 0.00 C ATOM 19 CD GLU A 2 -12.763 20.657 3.196 1.00 0.00 C ATOM 20 OE1 GLU A 2 -13.019 21.451 2.306 1.00 0.00 O ATOM 21 OE2 GLU A 2 -12.500 20.978 4.343 1.00 0.00 O ATOM 0 H GLU A 2 -11.171 16.522 3.016 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.483 17.071 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.311 19.582 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.923 19.277 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.788 18.777 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.182 18.611 3.582 1.00 0.00 H new ATOM 28 N VAL A 3 -9.909 16.200 0.490 1.00 0.00 N ATOM 29 CA VAL A 3 -8.491 16.041 0.062 1.00 0.00 C ATOM 30 C VAL A 3 -8.450 15.386 -1.322 1.00 0.00 C ATOM 31 O VAL A 3 -9.431 14.844 -1.794 1.00 0.00 O ATOM 32 CB VAL A 3 -7.739 15.161 1.068 1.00 0.00 C ATOM 33 CG1 VAL A 3 -6.276 15.603 1.140 1.00 0.00 C ATOM 34 CG2 VAL A 3 -8.376 15.301 2.453 1.00 0.00 C ATOM 0 H VAL A 3 -10.453 15.338 0.522 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.015 17.021 0.019 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.793 14.121 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.742 14.977 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.817 15.503 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.226 16.644 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.839 14.674 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.324 16.341 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.419 14.987 2.407 1.00 0.00 H new ATOM 44 N ARG A 4 -7.324 15.439 -1.978 1.00 0.00 N ATOM 45 CA ARG A 4 -7.215 14.831 -3.333 1.00 0.00 C ATOM 46 C ARG A 4 -7.354 13.306 -3.244 1.00 0.00 C ATOM 47 O ARG A 4 -8.143 12.719 -3.957 1.00 0.00 O ATOM 48 CB ARG A 4 -5.854 15.182 -3.936 1.00 0.00 C ATOM 49 CG ARG A 4 -6.052 15.782 -5.331 1.00 0.00 C ATOM 50 CD ARG A 4 -4.750 16.438 -5.792 1.00 0.00 C ATOM 51 NE ARG A 4 -4.875 17.919 -5.691 1.00 0.00 N ATOM 52 CZ ARG A 4 -4.111 18.688 -6.419 1.00 0.00 C ATOM 53 NH1 ARG A 4 -4.437 18.948 -7.656 1.00 0.00 N ATOM 54 NH2 ARG A 4 -3.022 19.195 -5.911 1.00 0.00 N ATOM 0 H ARG A 4 -6.471 15.879 -1.632 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.013 15.223 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.332 15.892 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.231 14.290 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.349 15.004 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.856 16.518 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.919 16.090 -5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.530 16.151 -6.820 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.556 18.332 -5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.288 18.551 -8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.841 19.549 -8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.767 18.991 -4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.425 19.796 -6.480 1.00 0.00 H new ATOM 68 N PRO A 5 -6.576 12.707 -2.378 1.00 0.00 N ATOM 69 CA PRO A 5 -6.586 11.246 -2.184 1.00 0.00 C ATOM 70 C PRO A 5 -7.796 10.818 -1.345 1.00 0.00 C ATOM 71 O PRO A 5 -8.361 11.613 -0.621 1.00 0.00 O ATOM 72 CB PRO A 5 -5.273 10.973 -1.444 1.00 0.00 C ATOM 73 CG PRO A 5 -4.869 12.305 -0.766 1.00 0.00 C ATOM 74 CD PRO A 5 -5.618 13.426 -1.511 1.00 0.00 C ATOM 0 HA PRO A 5 -6.664 10.691 -3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.401 10.183 -0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.500 10.639 -2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.135 12.298 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.791 12.456 -0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.131 14.092 -0.817 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.935 14.041 -2.097 1.00 0.00 H new ATOM 82 N PRO A 6 -8.160 9.566 -1.477 1.00 0.00 N ATOM 83 CA PRO A 6 -9.306 8.987 -0.751 1.00 0.00 C ATOM 84 C PRO A 6 -8.935 8.697 0.707 1.00 0.00 C ATOM 85 O PRO A 6 -8.005 9.263 1.244 1.00 0.00 O ATOM 86 CB PRO A 6 -9.591 7.688 -1.512 1.00 0.00 C ATOM 87 CG PRO A 6 -8.282 7.315 -2.246 1.00 0.00 C ATOM 88 CD PRO A 6 -7.458 8.612 -2.362 1.00 0.00 C ATOM 0 HA PRO A 6 -10.168 9.654 -0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.892 6.895 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.408 7.824 -2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.731 6.554 -1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.495 6.902 -3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.427 8.459 -2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.425 8.972 -3.390 1.00 0.00 H new ATOM 96 N PHE A 7 -9.658 7.818 1.348 1.00 0.00 N ATOM 97 CA PHE A 7 -9.351 7.491 2.770 1.00 0.00 C ATOM 98 C PHE A 7 -9.160 5.979 2.918 1.00 0.00 C ATOM 99 O PHE A 7 -8.898 5.481 3.994 1.00 0.00 O ATOM 100 CB PHE A 7 -10.510 7.944 3.663 1.00 0.00 C ATOM 101 CG PHE A 7 -10.341 7.359 5.046 1.00 0.00 C ATOM 102 CD1 PHE A 7 -9.318 7.822 5.881 1.00 0.00 C ATOM 103 CD2 PHE A 7 -11.207 6.353 5.491 1.00 0.00 C ATOM 104 CE1 PHE A 7 -9.158 7.277 7.160 1.00 0.00 C ATOM 105 CE2 PHE A 7 -11.047 5.808 6.770 1.00 0.00 C ATOM 106 CZ PHE A 7 -10.023 6.270 7.605 1.00 0.00 C ATOM 0 H PHE A 7 -10.448 7.312 0.948 1.00 0.00 H new ATOM 0 HA PHE A 7 -8.438 8.006 3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.537 9.032 3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -11.460 7.623 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.652 8.600 5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -11.998 5.998 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -8.367 7.633 7.804 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -11.714 5.031 7.113 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.900 5.850 8.592 1.00 0.00 H new ATOM 116 N THR A 8 -9.289 5.244 1.847 1.00 0.00 N ATOM 117 CA THR A 8 -9.115 3.767 1.938 1.00 0.00 C ATOM 118 C THR A 8 -7.641 3.415 1.732 1.00 0.00 C ATOM 119 O THR A 8 -7.173 3.280 0.619 1.00 0.00 O ATOM 120 CB THR A 8 -9.961 3.085 0.860 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.103 3.956 -0.252 1.00 0.00 O ATOM 122 CG2 THR A 8 -11.340 2.751 1.428 1.00 0.00 C ATOM 0 H THR A 8 -9.506 5.601 0.917 1.00 0.00 H new ATOM 0 HA THR A 8 -9.436 3.422 2.921 1.00 0.00 H new ATOM 0 HB THR A 8 -9.470 2.166 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.643 3.519 -0.943 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.942 2.265 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.230 2.081 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.833 3.668 1.749 1.00 0.00 H new ATOM 130 N TYR A 9 -6.903 3.264 2.799 1.00 0.00 N ATOM 131 CA TYR A 9 -5.459 2.922 2.664 1.00 0.00 C ATOM 132 C TYR A 9 -5.320 1.545 2.014 1.00 0.00 C ATOM 133 O TYR A 9 -4.438 1.313 1.211 1.00 0.00 O ATOM 134 CB TYR A 9 -4.810 2.900 4.049 1.00 0.00 C ATOM 135 CG TYR A 9 -4.494 4.312 4.479 1.00 0.00 C ATOM 136 CD1 TYR A 9 -3.319 4.932 4.039 1.00 0.00 C ATOM 137 CD2 TYR A 9 -5.377 5.001 5.318 1.00 0.00 C ATOM 138 CE1 TYR A 9 -3.025 6.242 4.438 1.00 0.00 C ATOM 139 CE2 TYR A 9 -5.085 6.311 5.717 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.909 6.932 5.277 1.00 0.00 C ATOM 141 OH TYR A 9 -3.620 8.223 5.671 1.00 0.00 O ATOM 0 H TYR A 9 -7.238 3.363 3.757 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.965 3.668 2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.480 2.431 4.769 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.898 2.303 4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.638 4.400 3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.284 4.522 5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.118 6.720 4.099 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.767 6.843 6.364 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.337 8.556 6.250 1.00 0.00 H new ATOM 151 N ALA A 10 -6.183 0.627 2.353 1.00 0.00 N ATOM 152 CA ALA A 10 -6.099 -0.733 1.753 1.00 0.00 C ATOM 153 C ALA A 10 -6.242 -0.630 0.232 1.00 0.00 C ATOM 154 O ALA A 10 -5.311 -0.876 -0.507 1.00 0.00 O ATOM 155 CB ALA A 10 -7.222 -1.609 2.313 1.00 0.00 C ATOM 0 H ALA A 10 -6.943 0.761 3.020 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.135 -1.179 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.160 -2.605 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.120 -1.683 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.187 -1.164 2.069 1.00 0.00 H new ATOM 161 N SER A 11 -7.404 -0.268 -0.238 1.00 0.00 N ATOM 162 CA SER A 11 -7.608 -0.149 -1.709 1.00 0.00 C ATOM 163 C SER A 11 -6.439 0.619 -2.329 1.00 0.00 C ATOM 164 O SER A 11 -5.839 0.184 -3.291 1.00 0.00 O ATOM 165 CB SER A 11 -8.912 0.601 -1.982 1.00 0.00 C ATOM 166 OG SER A 11 -9.542 0.046 -3.129 1.00 0.00 O ATOM 0 H SER A 11 -8.221 -0.050 0.333 1.00 0.00 H new ATOM 0 HA SER A 11 -7.660 -1.145 -2.149 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.574 0.529 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.709 1.660 -2.141 1.00 0.00 H new ATOM 0 HG SER A 11 -10.379 0.524 -3.306 1.00 0.00 H new ATOM 172 N LEU A 12 -6.115 1.760 -1.787 1.00 0.00 N ATOM 173 CA LEU A 12 -4.986 2.557 -2.347 1.00 0.00 C ATOM 174 C LEU A 12 -3.779 1.646 -2.575 1.00 0.00 C ATOM 175 O LEU A 12 -3.269 1.536 -3.672 1.00 0.00 O ATOM 176 CB LEU A 12 -4.610 3.665 -1.361 1.00 0.00 C ATOM 177 CG LEU A 12 -4.256 4.937 -2.134 1.00 0.00 C ATOM 178 CD1 LEU A 12 -3.092 4.649 -3.084 1.00 0.00 C ATOM 179 CD2 LEU A 12 -5.471 5.395 -2.943 1.00 0.00 C ATOM 0 H LEU A 12 -6.582 2.175 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.289 3.000 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.440 3.859 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.764 3.351 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.968 5.720 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.839 5.555 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.226 4.320 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.380 3.866 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.220 6.301 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.758 4.611 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.302 5.599 -2.268 1.00 0.00 H new ATOM 191 N ILE A 13 -3.314 0.996 -1.545 1.00 0.00 N ATOM 192 CA ILE A 13 -2.136 0.095 -1.698 1.00 0.00 C ATOM 193 C ILE A 13 -2.466 -1.030 -2.683 1.00 0.00 C ATOM 194 O ILE A 13 -1.740 -1.273 -3.626 1.00 0.00 O ATOM 195 CB ILE A 13 -1.777 -0.505 -0.339 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.326 0.611 0.606 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.642 -1.517 -0.509 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.817 0.001 1.914 1.00 0.00 C ATOM 0 H ILE A 13 -3.699 1.049 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.291 0.668 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.650 -1.007 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.539 1.202 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.156 1.288 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.387 -1.944 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.961 -2.312 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.232 -1.017 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.496 0.797 2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.617 -0.571 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.025 -0.658 1.704 1.00 0.00 H new ATOM 210 N ARG A 14 -3.552 -1.722 -2.471 1.00 0.00 N ATOM 211 CA ARG A 14 -3.920 -2.837 -3.393 1.00 0.00 C ATOM 212 C ARG A 14 -3.936 -2.331 -4.837 1.00 0.00 C ATOM 213 O ARG A 14 -3.597 -3.047 -5.758 1.00 0.00 O ATOM 214 CB ARG A 14 -5.309 -3.365 -3.026 1.00 0.00 C ATOM 215 CG ARG A 14 -5.493 -4.768 -3.610 1.00 0.00 C ATOM 216 CD ARG A 14 -5.933 -4.658 -5.072 1.00 0.00 C ATOM 217 NE ARG A 14 -5.124 -5.592 -5.907 1.00 0.00 N ATOM 218 CZ ARG A 14 -5.720 -6.488 -6.647 1.00 0.00 C ATOM 219 NH1 ARG A 14 -6.820 -7.052 -6.230 1.00 0.00 N ATOM 220 NH2 ARG A 14 -5.215 -6.820 -7.804 1.00 0.00 N ATOM 0 H ARG A 14 -4.201 -1.565 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.186 -3.638 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.425 -3.393 -1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.078 -2.695 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.560 -5.328 -3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.238 -5.318 -3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.993 -4.897 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.806 -3.635 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.106 -5.531 -5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.215 -6.793 -5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.285 -7.752 -6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.355 -6.380 -8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.681 -7.520 -8.382 1.00 0.00 H new ATOM 234 N GLN A 15 -4.335 -1.106 -5.046 1.00 0.00 N ATOM 235 CA GLN A 15 -4.378 -0.564 -6.432 1.00 0.00 C ATOM 236 C GLN A 15 -2.964 -0.516 -7.016 1.00 0.00 C ATOM 237 O GLN A 15 -2.712 -1.019 -8.092 1.00 0.00 O ATOM 238 CB GLN A 15 -4.966 0.847 -6.409 1.00 0.00 C ATOM 239 CG GLN A 15 -6.075 0.954 -7.459 1.00 0.00 C ATOM 240 CD GLN A 15 -7.378 1.379 -6.783 1.00 0.00 C ATOM 241 OE1 GLN A 15 -7.454 1.450 -5.573 1.00 0.00 O ATOM 242 NE2 GLN A 15 -8.416 1.668 -7.520 1.00 0.00 N ATOM 0 H GLN A 15 -4.633 -0.458 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.000 -1.211 -7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.364 1.071 -5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.186 1.581 -6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.797 1.678 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.209 -0.004 -7.961 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.352 1.608 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.291 1.953 -7.080 1.00 0.00 H new ATOM 251 N ALA A 16 -2.042 0.088 -6.322 1.00 0.00 N ATOM 252 CA ALA A 16 -0.650 0.170 -6.847 1.00 0.00 C ATOM 253 C ALA A 16 -0.100 -1.240 -7.080 1.00 0.00 C ATOM 254 O ALA A 16 0.763 -1.450 -7.908 1.00 0.00 O ATOM 255 CB ALA A 16 0.233 0.902 -5.834 1.00 0.00 C ATOM 0 H ALA A 16 -2.191 0.529 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.652 0.715 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.252 0.963 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.155 1.908 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.232 0.357 -4.890 1.00 0.00 H new ATOM 261 N ILE A 17 -0.589 -2.208 -6.353 1.00 0.00 N ATOM 262 CA ILE A 17 -0.088 -3.600 -6.533 1.00 0.00 C ATOM 263 C ILE A 17 -0.606 -4.175 -7.855 1.00 0.00 C ATOM 264 O ILE A 17 0.140 -4.741 -8.628 1.00 0.00 O ATOM 265 CB ILE A 17 -0.573 -4.467 -5.370 1.00 0.00 C ATOM 266 CG1 ILE A 17 -0.057 -3.881 -4.054 1.00 0.00 C ATOM 267 CG2 ILE A 17 -0.037 -5.891 -5.535 1.00 0.00 C ATOM 268 CD1 ILE A 17 -0.549 -4.736 -2.885 1.00 0.00 C ATOM 0 H ILE A 17 -1.313 -2.095 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 17 1.002 -3.591 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.663 -4.488 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.032 -3.848 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.406 -2.855 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.383 -6.508 -4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.399 -6.309 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.053 -5.871 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.181 -4.318 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.639 -4.746 -2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.178 -5.755 -2.998 1.00 0.00 H new ATOM 280 N LEU A 18 -1.878 -4.040 -8.121 1.00 0.00 N ATOM 281 CA LEU A 18 -2.429 -4.588 -9.393 1.00 0.00 C ATOM 282 C LEU A 18 -1.598 -4.076 -10.572 1.00 0.00 C ATOM 283 O LEU A 18 -1.385 -4.774 -11.543 1.00 0.00 O ATOM 284 CB LEU A 18 -3.896 -4.154 -9.552 1.00 0.00 C ATOM 285 CG LEU A 18 -3.975 -2.735 -10.127 1.00 0.00 C ATOM 286 CD1 LEU A 18 -3.948 -2.801 -11.655 1.00 0.00 C ATOM 287 CD2 LEU A 18 -5.274 -2.071 -9.667 1.00 0.00 C ATOM 0 H LEU A 18 -2.556 -3.576 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.383 -5.677 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.418 -4.849 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.399 -4.190 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.124 -2.152 -9.775 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.004 -1.792 -12.064 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.022 -3.274 -11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.798 -3.384 -12.009 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.331 -1.062 -10.075 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.125 -2.654 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.293 -2.023 -8.578 1.00 0.00 H new ATOM 299 N GLU A 19 -1.120 -2.864 -10.492 1.00 0.00 N ATOM 300 CA GLU A 19 -0.300 -2.316 -11.605 1.00 0.00 C ATOM 301 C GLU A 19 0.926 -3.206 -11.809 1.00 0.00 C ATOM 302 O GLU A 19 1.580 -3.158 -12.832 1.00 0.00 O ATOM 303 CB GLU A 19 0.144 -0.893 -11.257 1.00 0.00 C ATOM 304 CG GLU A 19 1.085 -0.373 -12.344 1.00 0.00 C ATOM 305 CD GLU A 19 0.999 1.153 -12.405 1.00 0.00 C ATOM 306 OE1 GLU A 19 1.731 1.798 -11.674 1.00 0.00 O ATOM 307 OE2 GLU A 19 0.202 1.650 -13.184 1.00 0.00 O ATOM 0 H GLU A 19 -1.263 -2.232 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.889 -2.293 -12.522 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.725 -0.240 -11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.647 -0.884 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.109 -0.682 -12.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.816 -0.802 -13.309 1.00 0.00 H new ATOM 314 N SER A 20 1.238 -4.026 -10.841 1.00 0.00 N ATOM 315 CA SER A 20 2.417 -4.927 -10.973 1.00 0.00 C ATOM 316 C SER A 20 1.969 -6.256 -11.593 1.00 0.00 C ATOM 317 O SER A 20 0.793 -6.560 -11.615 1.00 0.00 O ATOM 318 CB SER A 20 3.021 -5.180 -9.591 1.00 0.00 C ATOM 319 OG SER A 20 2.468 -6.369 -9.046 1.00 0.00 O ATOM 0 H SER A 20 0.725 -4.110 -9.963 1.00 0.00 H new ATOM 0 HA SER A 20 3.167 -4.462 -11.613 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.105 -5.271 -9.666 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.817 -4.336 -8.933 1.00 0.00 H new ATOM 0 HG SER A 20 3.019 -7.136 -9.308 1.00 0.00 H new ATOM 325 N PRO A 21 2.923 -7.007 -12.083 1.00 0.00 N ATOM 326 CA PRO A 21 2.660 -8.313 -12.714 1.00 0.00 C ATOM 327 C PRO A 21 2.393 -9.379 -11.649 1.00 0.00 C ATOM 328 O PRO A 21 1.391 -10.067 -11.685 1.00 0.00 O ATOM 329 CB PRO A 21 3.953 -8.609 -13.479 1.00 0.00 C ATOM 330 CG PRO A 21 5.062 -7.765 -12.806 1.00 0.00 C ATOM 331 CD PRO A 21 4.350 -6.628 -12.048 1.00 0.00 C ATOM 0 HA PRO A 21 1.782 -8.309 -13.360 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.194 -9.671 -13.438 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.850 -8.346 -14.532 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.653 -8.375 -12.123 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.749 -7.363 -13.551 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.714 -6.543 -11.024 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.518 -5.664 -12.527 1.00 0.00 H new ATOM 339 N GLU A 22 3.278 -9.524 -10.702 1.00 0.00 N ATOM 340 CA GLU A 22 3.074 -10.542 -9.640 1.00 0.00 C ATOM 341 C GLU A 22 2.368 -9.898 -8.442 1.00 0.00 C ATOM 342 O GLU A 22 2.603 -10.258 -7.306 1.00 0.00 O ATOM 343 CB GLU A 22 4.428 -11.101 -9.201 1.00 0.00 C ATOM 344 CG GLU A 22 4.961 -12.049 -10.277 1.00 0.00 C ATOM 345 CD GLU A 22 6.001 -12.989 -9.664 1.00 0.00 C ATOM 346 OE1 GLU A 22 6.955 -12.490 -9.089 1.00 0.00 O ATOM 347 OE2 GLU A 22 5.826 -14.191 -9.780 1.00 0.00 O ATOM 0 H GLU A 22 4.136 -8.978 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 22 2.458 -11.353 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.134 -10.287 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.325 -11.630 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.142 -12.627 -10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.407 -11.477 -11.091 1.00 0.00 H new ATOM 354 N LYS A 23 1.496 -8.958 -8.693 1.00 0.00 N ATOM 355 CA LYS A 23 0.762 -8.292 -7.591 1.00 0.00 C ATOM 356 C LYS A 23 1.695 -8.038 -6.404 1.00 0.00 C ATOM 357 O LYS A 23 1.310 -8.173 -5.260 1.00 0.00 O ATOM 358 CB LYS A 23 -0.397 -9.181 -7.156 1.00 0.00 C ATOM 359 CG LYS A 23 -0.908 -9.996 -8.347 1.00 0.00 C ATOM 360 CD LYS A 23 -2.364 -10.397 -8.104 1.00 0.00 C ATOM 361 CE LYS A 23 -3.052 -10.655 -9.447 1.00 0.00 C ATOM 362 NZ LYS A 23 -4.023 -9.561 -9.729 1.00 0.00 N ATOM 0 H LYS A 23 1.262 -8.623 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 23 0.381 -7.333 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.073 -9.850 -6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.203 -8.569 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.829 -9.410 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.293 -10.885 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.407 -11.292 -7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.885 -9.607 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.309 -10.710 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.567 -11.615 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.490 -9.738 -10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.738 -9.529 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.520 -8.652 -9.768 1.00 0.00 H new ATOM 376 N GLN A 24 2.912 -7.654 -6.669 1.00 0.00 N ATOM 377 CA GLN A 24 3.869 -7.373 -5.558 1.00 0.00 C ATOM 378 C GLN A 24 4.290 -5.909 -5.633 1.00 0.00 C ATOM 379 O GLN A 24 4.110 -5.260 -6.645 1.00 0.00 O ATOM 380 CB GLN A 24 5.104 -8.274 -5.679 1.00 0.00 C ATOM 381 CG GLN A 24 5.287 -8.724 -7.132 1.00 0.00 C ATOM 382 CD GLN A 24 5.784 -7.549 -7.975 1.00 0.00 C ATOM 383 OE1 GLN A 24 5.009 -6.699 -8.371 1.00 0.00 O ATOM 384 NE2 GLN A 24 7.051 -7.465 -8.272 1.00 0.00 N ATOM 0 H GLN A 24 3.288 -7.522 -7.608 1.00 0.00 H new ATOM 0 HA GLN A 24 3.386 -7.575 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.990 -7.736 -5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.994 -9.144 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.000 -9.547 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.343 -9.096 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.701 -8.178 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.392 -6.687 -8.836 1.00 0.00 H new ATOM 393 N LEU A 25 4.834 -5.365 -4.577 1.00 0.00 N ATOM 394 CA LEU A 25 5.225 -3.933 -4.638 1.00 0.00 C ATOM 395 C LEU A 25 6.539 -3.670 -3.897 1.00 0.00 C ATOM 396 O LEU A 25 6.639 -3.867 -2.704 1.00 0.00 O ATOM 397 CB LEU A 25 4.118 -3.072 -4.031 1.00 0.00 C ATOM 398 CG LEU A 25 3.343 -2.377 -5.150 1.00 0.00 C ATOM 399 CD1 LEU A 25 2.318 -1.418 -4.543 1.00 0.00 C ATOM 400 CD2 LEU A 25 4.317 -1.592 -6.030 1.00 0.00 C ATOM 0 H LEU A 25 5.020 -5.841 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 25 5.372 -3.673 -5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.445 -3.691 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.547 -2.331 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 25 2.827 -3.124 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.766 -0.923 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.624 -1.977 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.832 -0.670 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.766 -1.095 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.832 -0.845 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.048 -2.275 -6.463 1.00 0.00 H new ATOM 412 N THR A 26 7.544 -3.205 -4.590 1.00 0.00 N ATOM 413 CA THR A 26 8.840 -2.914 -3.913 1.00 0.00 C ATOM 414 C THR A 26 8.648 -1.740 -2.948 1.00 0.00 C ATOM 415 O THR A 26 7.980 -0.774 -3.263 1.00 0.00 O ATOM 416 CB THR A 26 9.893 -2.542 -4.961 1.00 0.00 C ATOM 417 OG1 THR A 26 9.497 -1.350 -5.626 1.00 0.00 O ATOM 418 CG2 THR A 26 10.026 -3.676 -5.978 1.00 0.00 C ATOM 0 H THR A 26 7.524 -3.015 -5.592 1.00 0.00 H new ATOM 0 HA THR A 26 9.172 -3.795 -3.363 1.00 0.00 H new ATOM 0 HB THR A 26 10.853 -2.383 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.278 -0.936 -6.049 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.776 -3.410 -6.723 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.330 -4.589 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.067 -3.838 -6.470 1.00 0.00 H new ATOM 426 N LEU A 27 9.223 -1.807 -1.778 1.00 0.00 N ATOM 427 CA LEU A 27 9.060 -0.685 -0.809 1.00 0.00 C ATOM 428 C LEU A 27 9.313 0.644 -1.523 1.00 0.00 C ATOM 429 O LEU A 27 8.595 1.606 -1.337 1.00 0.00 O ATOM 430 CB LEU A 27 10.059 -0.844 0.341 1.00 0.00 C ATOM 431 CG LEU A 27 11.327 -1.533 -0.166 1.00 0.00 C ATOM 432 CD1 LEU A 27 12.557 -0.815 0.392 1.00 0.00 C ATOM 433 CD2 LEU A 27 11.333 -2.990 0.299 1.00 0.00 C ATOM 0 H LEU A 27 9.796 -2.586 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 27 8.046 -0.699 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.306 0.132 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.612 -1.430 1.145 1.00 0.00 H new ATOM 0 HG LEU A 27 11.350 -1.497 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.460 -1.306 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.552 0.224 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.536 -0.850 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.236 -3.483 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.311 -3.024 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.457 -3.502 -0.098 1.00 0.00 H new ATOM 445 N ASN A 28 10.330 0.708 -2.339 1.00 0.00 N ATOM 446 CA ASN A 28 10.628 1.976 -3.063 1.00 0.00 C ATOM 447 C ASN A 28 9.439 2.358 -3.946 1.00 0.00 C ATOM 448 O ASN A 28 9.074 3.513 -4.048 1.00 0.00 O ATOM 449 CB ASN A 28 11.869 1.782 -3.937 1.00 0.00 C ATOM 450 CG ASN A 28 12.621 3.108 -4.057 1.00 0.00 C ATOM 451 OD1 ASN A 28 13.688 3.267 -3.498 1.00 0.00 O ATOM 452 ND2 ASN A 28 12.108 4.074 -4.769 1.00 0.00 N ATOM 0 H ASN A 28 10.967 -0.064 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 28 10.810 2.771 -2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.518 1.022 -3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.579 1.426 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.603 4.962 -4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.212 3.941 -5.239 1.00 0.00 H new ATOM 459 N GLU A 29 8.834 1.398 -4.591 1.00 0.00 N ATOM 460 CA GLU A 29 7.670 1.706 -5.471 1.00 0.00 C ATOM 461 C GLU A 29 6.537 2.314 -4.641 1.00 0.00 C ATOM 462 O GLU A 29 6.001 3.352 -4.975 1.00 0.00 O ATOM 463 CB GLU A 29 7.177 0.417 -6.130 1.00 0.00 C ATOM 464 CG GLU A 29 7.853 0.246 -7.491 1.00 0.00 C ATOM 465 CD GLU A 29 7.186 -0.903 -8.250 1.00 0.00 C ATOM 466 OE1 GLU A 29 7.040 -1.965 -7.668 1.00 0.00 O ATOM 467 OE2 GLU A 29 6.832 -0.701 -9.400 1.00 0.00 O ATOM 0 H GLU A 29 9.095 0.413 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 29 7.978 2.418 -6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.400 -0.438 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.094 0.450 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.776 1.169 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.915 0.040 -7.358 1.00 0.00 H new ATOM 474 N ILE A 30 6.161 1.674 -3.567 1.00 0.00 N ATOM 475 CA ILE A 30 5.054 2.219 -2.728 1.00 0.00 C ATOM 476 C ILE A 30 5.427 3.616 -2.232 1.00 0.00 C ATOM 477 O ILE A 30 4.595 4.496 -2.146 1.00 0.00 O ATOM 478 CB ILE A 30 4.817 1.303 -1.527 1.00 0.00 C ATOM 479 CG1 ILE A 30 6.140 1.053 -0.799 1.00 0.00 C ATOM 480 CG2 ILE A 30 4.238 -0.031 -2.003 1.00 0.00 C ATOM 481 CD1 ILE A 30 5.859 0.410 0.560 1.00 0.00 C ATOM 0 H ILE A 30 6.570 0.801 -3.235 1.00 0.00 H new ATOM 0 HA ILE A 30 4.145 2.274 -3.327 1.00 0.00 H new ATOM 0 HB ILE A 30 4.114 1.781 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.779 0.402 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.677 1.992 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.070 -0.682 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.292 0.145 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.939 -0.508 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.800 0.231 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.236 1.077 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.340 -0.537 0.414 1.00 0.00 H new ATOM 493 N TYR A 31 6.670 3.823 -1.901 1.00 0.00 N ATOM 494 CA TYR A 31 7.098 5.161 -1.405 1.00 0.00 C ATOM 495 C TYR A 31 7.172 6.144 -2.575 1.00 0.00 C ATOM 496 O TYR A 31 6.559 7.191 -2.558 1.00 0.00 O ATOM 497 CB TYR A 31 8.476 5.043 -0.750 1.00 0.00 C ATOM 498 CG TYR A 31 8.952 6.411 -0.324 1.00 0.00 C ATOM 499 CD1 TYR A 31 8.106 7.250 0.411 1.00 0.00 C ATOM 500 CD2 TYR A 31 10.241 6.841 -0.665 1.00 0.00 C ATOM 501 CE1 TYR A 31 8.548 8.518 0.806 1.00 0.00 C ATOM 502 CE2 TYR A 31 10.683 8.108 -0.269 1.00 0.00 C ATOM 503 CZ TYR A 31 9.837 8.947 0.465 1.00 0.00 C ATOM 504 OH TYR A 31 10.273 10.197 0.856 1.00 0.00 O ATOM 0 H TYR A 31 7.410 3.123 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 31 6.376 5.524 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.424 4.380 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.186 4.601 -1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.112 6.919 0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.893 6.195 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.896 9.165 1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.677 8.439 -0.530 1.00 0.00 H new ATOM 0 HH TYR A 31 11.190 10.338 0.539 1.00 0.00 H new ATOM 514 N ASN A 32 7.922 5.813 -3.589 1.00 0.00 N ATOM 515 CA ASN A 32 8.038 6.729 -4.760 1.00 0.00 C ATOM 516 C ASN A 32 6.648 6.991 -5.343 1.00 0.00 C ATOM 517 O ASN A 32 6.225 8.121 -5.487 1.00 0.00 O ATOM 518 CB ASN A 32 8.922 6.077 -5.824 1.00 0.00 C ATOM 519 CG ASN A 32 9.239 7.095 -6.921 1.00 0.00 C ATOM 520 OD1 ASN A 32 8.448 7.975 -7.196 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.371 7.011 -7.563 1.00 0.00 N ATOM 0 H ASN A 32 8.459 4.949 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 32 8.481 7.673 -4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.845 5.715 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.416 5.212 -6.252 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.593 7.684 -8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 32 11.035 6.272 -7.332 1.00 0.00 H new ATOM 528 N TRP A 33 5.936 5.953 -5.685 1.00 0.00 N ATOM 529 CA TRP A 33 4.577 6.133 -6.263 1.00 0.00 C ATOM 530 C TRP A 33 3.710 6.961 -5.310 1.00 0.00 C ATOM 531 O TRP A 33 3.013 7.867 -5.723 1.00 0.00 O ATOM 532 CB TRP A 33 3.934 4.760 -6.471 1.00 0.00 C ATOM 533 CG TRP A 33 2.623 4.921 -7.170 1.00 0.00 C ATOM 534 CD1 TRP A 33 2.471 5.190 -8.486 1.00 0.00 C ATOM 535 CD2 TRP A 33 1.279 4.828 -6.613 1.00 0.00 C ATOM 536 NE1 TRP A 33 1.120 5.267 -8.774 1.00 0.00 N ATOM 537 CE2 TRP A 33 0.345 5.050 -7.653 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.785 4.574 -5.321 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.031 5.022 -7.417 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.599 4.544 -5.081 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.505 4.768 -6.127 1.00 0.00 C ATOM 0 H TRP A 33 6.239 4.984 -5.588 1.00 0.00 H new ATOM 0 HA TRP A 33 4.656 6.654 -7.217 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.595 4.123 -7.059 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.787 4.267 -5.510 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.273 5.323 -9.197 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.743 5.461 -9.702 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.474 4.401 -4.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.725 5.196 -8.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.967 4.347 -4.085 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.568 4.744 -5.936 1.00 0.00 H new ATOM 552 N PHE A 34 3.736 6.652 -4.043 1.00 0.00 N ATOM 553 CA PHE A 34 2.902 7.418 -3.071 1.00 0.00 C ATOM 554 C PHE A 34 3.170 8.920 -3.205 1.00 0.00 C ATOM 555 O PHE A 34 2.261 9.710 -3.360 1.00 0.00 O ATOM 556 CB PHE A 34 3.246 6.974 -1.648 1.00 0.00 C ATOM 557 CG PHE A 34 2.199 6.007 -1.154 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.934 4.836 -1.872 1.00 0.00 C ATOM 559 CD2 PHE A 34 1.493 6.282 0.023 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.961 3.939 -1.414 1.00 0.00 C ATOM 561 CE2 PHE A 34 0.521 5.385 0.482 1.00 0.00 C ATOM 562 CZ PHE A 34 0.255 4.214 -0.237 1.00 0.00 C ATOM 0 H PHE A 34 4.298 5.903 -3.638 1.00 0.00 H new ATOM 0 HA PHE A 34 1.850 7.224 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.229 6.502 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.296 7.840 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.480 4.624 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.698 7.186 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.755 3.035 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.023 5.597 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.495 3.522 0.116 1.00 0.00 H new ATOM 572 N THR A 35 4.408 9.322 -3.121 1.00 0.00 N ATOM 573 CA THR A 35 4.733 10.776 -3.216 1.00 0.00 C ATOM 574 C THR A 35 4.495 11.296 -4.638 1.00 0.00 C ATOM 575 O THR A 35 3.873 12.321 -4.834 1.00 0.00 O ATOM 576 CB THR A 35 6.199 10.988 -2.835 1.00 0.00 C ATOM 577 OG1 THR A 35 6.969 9.883 -3.289 1.00 0.00 O ATOM 578 CG2 THR A 35 6.321 11.106 -1.315 1.00 0.00 C ATOM 0 H THR A 35 5.211 8.707 -2.990 1.00 0.00 H new ATOM 0 HA THR A 35 4.084 11.326 -2.534 1.00 0.00 H new ATOM 0 HB THR A 35 6.567 11.903 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.576 9.527 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.366 11.257 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.730 11.953 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.954 10.192 -0.848 1.00 0.00 H new ATOM 586 N ARG A 36 4.997 10.615 -5.630 1.00 0.00 N ATOM 587 CA ARG A 36 4.810 11.093 -7.031 1.00 0.00 C ATOM 588 C ARG A 36 3.318 11.230 -7.351 1.00 0.00 C ATOM 589 O ARG A 36 2.900 12.162 -8.010 1.00 0.00 O ATOM 590 CB ARG A 36 5.453 10.097 -7.997 1.00 0.00 C ATOM 591 CG ARG A 36 6.892 10.530 -8.286 1.00 0.00 C ATOM 592 CD ARG A 36 7.516 9.587 -9.315 1.00 0.00 C ATOM 593 NE ARG A 36 8.972 9.882 -9.440 1.00 0.00 N ATOM 594 CZ ARG A 36 9.592 9.649 -10.564 1.00 0.00 C ATOM 595 NH1 ARG A 36 9.658 8.433 -11.033 1.00 0.00 N ATOM 596 NH2 ARG A 36 10.145 10.632 -11.221 1.00 0.00 N ATOM 0 H ARG A 36 5.528 9.750 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 36 5.283 12.069 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.442 9.096 -7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.882 10.051 -8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.906 11.553 -8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.477 10.519 -7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.369 8.551 -9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.025 9.709 -10.281 1.00 0.00 H new ATOM 0 HE ARG A 36 9.484 10.266 -8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.225 7.665 -10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.143 8.251 -11.912 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.093 11.583 -10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.630 10.449 -12.100 1.00 0.00 H new ATOM 610 N MET A 37 2.511 10.313 -6.895 1.00 0.00 N ATOM 611 CA MET A 37 1.050 10.400 -7.179 1.00 0.00 C ATOM 612 C MET A 37 0.421 11.477 -6.294 1.00 0.00 C ATOM 613 O MET A 37 -0.384 12.271 -6.742 1.00 0.00 O ATOM 614 CB MET A 37 0.390 9.050 -6.887 1.00 0.00 C ATOM 615 CG MET A 37 -0.447 8.619 -8.093 1.00 0.00 C ATOM 616 SD MET A 37 -1.896 9.694 -8.240 1.00 0.00 S ATOM 617 CE MET A 37 -1.397 10.543 -9.758 1.00 0.00 C ATOM 0 H MET A 37 2.799 9.508 -6.339 1.00 0.00 H new ATOM 0 HA MET A 37 0.900 10.658 -8.227 1.00 0.00 H new ATOM 0 HB2 MET A 37 1.151 8.300 -6.673 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.241 9.126 -6.001 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.152 8.672 -9.002 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.761 7.582 -7.979 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.284 10.818 -10.329 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.835 11.442 -9.504 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.771 9.881 -10.356 1.00 0.00 H new ATOM 627 N PHE A 38 0.779 11.512 -5.040 1.00 0.00 N ATOM 628 CA PHE A 38 0.201 12.537 -4.129 1.00 0.00 C ATOM 629 C PHE A 38 1.328 13.229 -3.351 1.00 0.00 C ATOM 630 O PHE A 38 1.982 12.607 -2.539 1.00 0.00 O ATOM 631 CB PHE A 38 -0.748 11.857 -3.140 1.00 0.00 C ATOM 632 CG PHE A 38 -1.540 10.791 -3.857 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.588 11.154 -4.710 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.228 9.440 -3.665 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.324 10.165 -5.375 1.00 0.00 C ATOM 636 CE2 PHE A 38 -1.963 8.451 -4.329 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.011 8.813 -5.183 1.00 0.00 C ATOM 0 H PHE A 38 1.447 10.874 -4.608 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.344 13.277 -4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.181 11.415 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.422 12.593 -2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.829 12.197 -4.856 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.420 9.161 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.132 10.444 -6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.721 7.409 -4.182 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.579 8.050 -5.694 1.00 0.00 H new ATOM 647 N PRO A 39 1.521 14.498 -3.617 1.00 0.00 N ATOM 648 CA PRO A 39 2.562 15.293 -2.944 1.00 0.00 C ATOM 649 C PRO A 39 2.100 15.682 -1.537 1.00 0.00 C ATOM 650 O PRO A 39 2.822 16.307 -0.785 1.00 0.00 O ATOM 651 CB PRO A 39 2.707 16.528 -3.837 1.00 0.00 C ATOM 652 CG PRO A 39 1.385 16.650 -4.631 1.00 0.00 C ATOM 653 CD PRO A 39 0.726 15.257 -4.604 1.00 0.00 C ATOM 0 HA PRO A 39 3.503 14.757 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.884 17.421 -3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.557 16.422 -4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.731 17.397 -4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.576 16.969 -5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.322 15.318 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.754 14.784 -5.586 1.00 0.00 H new ATOM 661 N TYR A 40 0.903 15.308 -1.174 1.00 0.00 N ATOM 662 CA TYR A 40 0.394 15.647 0.183 1.00 0.00 C ATOM 663 C TYR A 40 1.162 14.832 1.226 1.00 0.00 C ATOM 664 O TYR A 40 1.158 15.145 2.400 1.00 0.00 O ATOM 665 CB TYR A 40 -1.096 15.308 0.264 1.00 0.00 C ATOM 666 CG TYR A 40 -1.551 15.342 1.705 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.326 14.238 2.536 1.00 0.00 C ATOM 668 CD2 TYR A 40 -2.200 16.476 2.208 1.00 0.00 C ATOM 669 CE1 TYR A 40 -1.749 14.268 3.870 1.00 0.00 C ATOM 670 CE2 TYR A 40 -2.623 16.505 3.543 1.00 0.00 C ATOM 671 CZ TYR A 40 -2.397 15.403 4.373 1.00 0.00 C ATOM 672 OH TYR A 40 -2.815 15.432 5.689 1.00 0.00 O ATOM 0 H TYR A 40 0.256 14.782 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 40 0.535 16.711 0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.673 16.020 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.277 14.321 -0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.826 13.363 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.374 17.328 1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.576 13.416 4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.124 17.379 3.931 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.245 16.292 5.877 1.00 0.00 H new ATOM 682 N PHE A 41 1.819 13.784 0.805 1.00 0.00 N ATOM 683 CA PHE A 41 2.583 12.948 1.771 1.00 0.00 C ATOM 684 C PHE A 41 3.927 13.614 2.079 1.00 0.00 C ATOM 685 O PHE A 41 4.695 13.137 2.890 1.00 0.00 O ATOM 686 CB PHE A 41 2.831 11.566 1.164 1.00 0.00 C ATOM 687 CG PHE A 41 1.611 10.698 1.366 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.265 10.261 2.651 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.828 10.327 0.266 1.00 0.00 C ATOM 690 CE1 PHE A 41 0.135 9.455 2.835 1.00 0.00 C ATOM 691 CE2 PHE A 41 -0.300 9.522 0.450 1.00 0.00 C ATOM 692 CZ PHE A 41 -0.647 9.085 1.735 1.00 0.00 C ATOM 0 H PHE A 41 1.859 13.472 -0.165 1.00 0.00 H new ATOM 0 HA PHE A 41 2.009 12.846 2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.052 11.659 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.700 11.103 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.870 10.546 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.096 10.663 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.133 9.119 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.904 9.237 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.518 8.463 1.877 1.00 0.00 H new ATOM 702 N ARG A 42 4.217 14.714 1.438 1.00 0.00 N ATOM 703 CA ARG A 42 5.510 15.408 1.694 1.00 0.00 C ATOM 704 C ARG A 42 5.357 16.359 2.885 1.00 0.00 C ATOM 705 O ARG A 42 6.112 17.299 3.039 1.00 0.00 O ATOM 706 CB ARG A 42 5.908 16.208 0.452 1.00 0.00 C ATOM 707 CG ARG A 42 7.322 16.765 0.631 1.00 0.00 C ATOM 708 CD ARG A 42 8.122 16.556 -0.656 1.00 0.00 C ATOM 709 NE ARG A 42 8.136 17.822 -1.444 1.00 0.00 N ATOM 710 CZ ARG A 42 7.345 17.962 -2.473 1.00 0.00 C ATOM 711 NH1 ARG A 42 6.050 17.959 -2.308 1.00 0.00 N ATOM 712 NH2 ARG A 42 7.849 18.107 -3.669 1.00 0.00 N ATOM 0 H ARG A 42 3.614 15.162 0.748 1.00 0.00 H new ATOM 0 HA ARG A 42 6.280 14.670 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.866 15.571 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.203 17.023 0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.278 17.826 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.817 16.267 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.141 16.252 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.679 15.753 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 42 8.765 18.580 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.655 17.847 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.433 18.069 -3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.861 18.111 -3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.231 18.216 -4.473 1.00 0.00 H new ATOM 726 N ARG A 43 4.387 16.126 3.727 1.00 0.00 N ATOM 727 CA ARG A 43 4.189 17.019 4.903 1.00 0.00 C ATOM 728 C ARG A 43 4.463 16.237 6.190 1.00 0.00 C ATOM 729 O ARG A 43 5.243 16.651 7.025 1.00 0.00 O ATOM 730 CB ARG A 43 2.745 17.529 4.915 1.00 0.00 C ATOM 731 CG ARG A 43 2.590 18.651 3.887 1.00 0.00 C ATOM 732 CD ARG A 43 1.265 19.378 4.123 1.00 0.00 C ATOM 733 NE ARG A 43 1.484 20.522 5.052 1.00 0.00 N ATOM 734 CZ ARG A 43 0.674 21.546 5.030 1.00 0.00 C ATOM 735 NH1 ARG A 43 0.274 22.038 3.889 1.00 0.00 N ATOM 736 NH2 ARG A 43 0.263 22.078 6.149 1.00 0.00 N ATOM 0 H ARG A 43 3.723 15.355 3.651 1.00 0.00 H new ATOM 0 HA ARG A 43 4.875 17.864 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.059 16.714 4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.485 17.894 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.421 19.351 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.617 18.241 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.861 19.737 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.531 18.691 4.543 1.00 0.00 H new ATOM 0 HE ARG A 43 2.267 20.505 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.594 21.623 3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.359 22.838 3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.575 21.694 7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.370 22.878 6.131 1.00 0.00 H new ATOM 750 N ASN A 44 3.827 15.111 6.355 1.00 0.00 N ATOM 751 CA ASN A 44 4.051 14.302 7.587 1.00 0.00 C ATOM 752 C ASN A 44 4.469 12.885 7.194 1.00 0.00 C ATOM 753 O ASN A 44 3.818 11.918 7.538 1.00 0.00 O ATOM 754 CB ASN A 44 2.757 14.245 8.402 1.00 0.00 C ATOM 755 CG ASN A 44 2.328 15.663 8.778 1.00 0.00 C ATOM 756 OD1 ASN A 44 1.495 16.253 8.119 1.00 0.00 O ATOM 757 ND2 ASN A 44 2.866 16.239 9.817 1.00 0.00 N ATOM 0 H ASN A 44 3.162 14.715 5.691 1.00 0.00 H new ATOM 0 HA ASN A 44 4.837 14.761 8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.972 13.757 7.824 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.907 13.649 9.302 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.588 17.185 10.077 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.565 15.743 10.370 1.00 0.00 H new ATOM 764 N ALA A 45 5.548 12.751 6.476 1.00 0.00 N ATOM 765 CA ALA A 45 6.003 11.396 6.062 1.00 0.00 C ATOM 766 C ALA A 45 6.192 10.521 7.302 1.00 0.00 C ATOM 767 O ALA A 45 6.168 9.311 7.226 1.00 0.00 O ATOM 768 CB ALA A 45 7.328 11.507 5.306 1.00 0.00 C ATOM 0 H ALA A 45 6.135 13.522 6.158 1.00 0.00 H new ATOM 0 HA ALA A 45 5.254 10.946 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.659 10.513 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.191 12.128 4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.080 11.959 5.954 1.00 0.00 H new ATOM 774 N ALA A 46 6.380 11.123 8.442 1.00 0.00 N ATOM 775 CA ALA A 46 6.568 10.319 9.681 1.00 0.00 C ATOM 776 C ALA A 46 5.214 9.779 10.147 1.00 0.00 C ATOM 777 O ALA A 46 5.142 8.867 10.947 1.00 0.00 O ATOM 778 CB ALA A 46 7.171 11.202 10.776 1.00 0.00 C ATOM 0 H ALA A 46 6.412 12.134 8.570 1.00 0.00 H new ATOM 0 HA ALA A 46 7.241 9.486 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.309 10.614 11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.135 11.587 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.499 12.035 10.982 1.00 0.00 H new ATOM 784 N THR A 47 4.140 10.338 9.659 1.00 0.00 N ATOM 785 CA THR A 47 2.793 9.857 10.083 1.00 0.00 C ATOM 786 C THR A 47 2.303 8.750 9.142 1.00 0.00 C ATOM 787 O THR A 47 1.856 7.709 9.579 1.00 0.00 O ATOM 788 CB THR A 47 1.804 11.025 10.052 1.00 0.00 C ATOM 789 OG1 THR A 47 2.302 12.087 10.853 1.00 0.00 O ATOM 790 CG2 THR A 47 0.450 10.564 10.596 1.00 0.00 C ATOM 0 H THR A 47 4.136 11.105 8.987 1.00 0.00 H new ATOM 0 HA THR A 47 2.862 9.457 11.094 1.00 0.00 H new ATOM 0 HB THR A 47 1.682 11.371 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.606 12.768 10.963 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.254 11.396 10.574 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.069 9.750 9.980 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.569 10.217 11.622 1.00 0.00 H new ATOM 798 N TRP A 48 2.364 8.968 7.854 1.00 0.00 N ATOM 799 CA TRP A 48 1.879 7.926 6.901 1.00 0.00 C ATOM 800 C TRP A 48 2.789 6.690 6.963 1.00 0.00 C ATOM 801 O TRP A 48 2.317 5.571 7.029 1.00 0.00 O ATOM 802 CB TRP A 48 1.834 8.510 5.478 1.00 0.00 C ATOM 803 CG TRP A 48 3.144 8.341 4.777 1.00 0.00 C ATOM 804 CD1 TRP A 48 3.952 9.357 4.418 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.794 7.118 4.324 1.00 0.00 C ATOM 806 NE1 TRP A 48 5.072 8.842 3.795 1.00 0.00 N ATOM 807 CE2 TRP A 48 5.020 7.465 3.707 1.00 0.00 C ATOM 808 CE3 TRP A 48 3.449 5.757 4.393 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.873 6.495 3.177 1.00 0.00 C ATOM 810 CZ3 TRP A 48 4.303 4.779 3.859 1.00 0.00 C ATOM 811 CH2 TRP A 48 5.513 5.147 3.253 1.00 0.00 C ATOM 0 H TRP A 48 2.727 9.818 7.423 1.00 0.00 H new ATOM 0 HA TRP A 48 0.872 7.617 7.180 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.047 8.018 4.906 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.579 9.569 5.525 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.756 10.405 4.590 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.843 9.409 3.443 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.521 5.462 4.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.804 6.784 2.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 4.026 3.737 3.915 1.00 0.00 H new ATOM 0 HH2 TRP A 48 6.166 4.389 2.845 1.00 0.00 H new ATOM 822 N LYS A 49 4.081 6.874 6.946 1.00 0.00 N ATOM 823 CA LYS A 49 4.997 5.699 7.008 1.00 0.00 C ATOM 824 C LYS A 49 4.559 4.771 8.142 1.00 0.00 C ATOM 825 O LYS A 49 4.657 3.564 8.044 1.00 0.00 O ATOM 826 CB LYS A 49 6.427 6.177 7.266 1.00 0.00 C ATOM 827 CG LYS A 49 7.330 5.729 6.116 1.00 0.00 C ATOM 828 CD LYS A 49 8.214 4.573 6.584 1.00 0.00 C ATOM 829 CE LYS A 49 7.872 3.314 5.785 1.00 0.00 C ATOM 830 NZ LYS A 49 8.486 3.403 4.429 1.00 0.00 N ATOM 0 H LYS A 49 4.541 7.783 6.892 1.00 0.00 H new ATOM 0 HA LYS A 49 4.960 5.161 6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.448 7.263 7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.793 5.771 8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.725 5.417 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.949 6.561 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.265 4.828 6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.063 4.393 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.240 2.429 6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.791 3.207 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.616 2.446 4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.862 3.948 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.409 3.877 4.496 1.00 0.00 H new ATOM 844 N ASN A 50 4.074 5.325 9.220 1.00 0.00 N ATOM 845 CA ASN A 50 3.626 4.475 10.359 1.00 0.00 C ATOM 846 C ASN A 50 2.226 3.930 10.066 1.00 0.00 C ATOM 847 O ASN A 50 1.885 2.828 10.447 1.00 0.00 O ATOM 848 CB ASN A 50 3.592 5.315 11.637 1.00 0.00 C ATOM 849 CG ASN A 50 3.689 4.394 12.856 1.00 0.00 C ATOM 850 OD1 ASN A 50 2.831 4.415 13.718 1.00 0.00 O ATOM 851 ND2 ASN A 50 4.705 3.583 12.966 1.00 0.00 N ATOM 0 H ASN A 50 3.969 6.330 9.361 1.00 0.00 H new ATOM 0 HA ASN A 50 4.319 3.644 10.490 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.417 6.027 11.639 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.670 5.896 11.679 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.780 2.966 13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.424 3.566 12.243 1.00 0.00 H new ATOM 858 N ALA A 51 1.413 4.696 9.391 1.00 0.00 N ATOM 859 CA ALA A 51 0.036 4.226 9.072 1.00 0.00 C ATOM 860 C ALA A 51 0.111 2.999 8.161 1.00 0.00 C ATOM 861 O ALA A 51 -0.664 2.072 8.288 1.00 0.00 O ATOM 862 CB ALA A 51 -0.732 5.345 8.364 1.00 0.00 C ATOM 0 H ALA A 51 1.644 5.628 9.047 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.480 3.959 9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.740 5.003 8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.787 6.217 9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.216 5.613 7.442 1.00 0.00 H new ATOM 868 N VAL A 52 1.039 2.985 7.243 1.00 0.00 N ATOM 869 CA VAL A 52 1.161 1.818 6.325 1.00 0.00 C ATOM 870 C VAL A 52 1.782 0.640 7.080 1.00 0.00 C ATOM 871 O VAL A 52 1.393 -0.497 6.903 1.00 0.00 O ATOM 872 CB VAL A 52 2.053 2.192 5.139 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.446 0.926 4.373 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.289 3.133 4.205 1.00 0.00 C ATOM 0 H VAL A 52 1.717 3.731 7.089 1.00 0.00 H new ATOM 0 HA VAL A 52 0.173 1.537 5.961 1.00 0.00 H new ATOM 0 HB VAL A 52 2.952 2.689 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.081 1.194 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.989 0.253 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.548 0.428 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.923 3.400 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.391 2.634 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.008 4.036 4.748 1.00 0.00 H new ATOM 884 N ARG A 53 2.746 0.902 7.920 1.00 0.00 N ATOM 885 CA ARG A 53 3.390 -0.204 8.682 1.00 0.00 C ATOM 886 C ARG A 53 2.328 -0.952 9.491 1.00 0.00 C ATOM 887 O ARG A 53 2.118 -2.136 9.313 1.00 0.00 O ATOM 888 CB ARG A 53 4.442 0.375 9.630 1.00 0.00 C ATOM 889 CG ARG A 53 5.802 0.406 8.931 1.00 0.00 C ATOM 890 CD ARG A 53 6.587 -0.859 9.284 1.00 0.00 C ATOM 891 NE ARG A 53 7.882 -0.479 9.913 1.00 0.00 N ATOM 892 CZ ARG A 53 8.108 -0.766 11.165 1.00 0.00 C ATOM 893 NH1 ARG A 53 7.333 -0.279 12.095 1.00 0.00 N ATOM 894 NH2 ARG A 53 9.106 -1.540 11.487 1.00 0.00 N ATOM 0 H ARG A 53 3.115 1.834 8.111 1.00 0.00 H new ATOM 0 HA ARG A 53 3.869 -0.894 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.156 1.381 9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.501 -0.228 10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.666 0.473 7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.360 1.291 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.008 -1.481 9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.766 -1.451 8.387 1.00 0.00 H new ATOM 0 HE ARG A 53 8.592 0.006 9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.551 0.326 11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.509 -0.503 13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.711 -1.922 10.760 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.282 -1.764 12.466 1.00 0.00 H new ATOM 908 N HIS A 54 1.656 -0.270 10.377 1.00 0.00 N ATOM 909 CA HIS A 54 0.607 -0.941 11.194 1.00 0.00 C ATOM 910 C HIS A 54 -0.387 -1.644 10.268 1.00 0.00 C ATOM 911 O HIS A 54 -0.568 -2.844 10.332 1.00 0.00 O ATOM 912 CB HIS A 54 -0.131 0.101 12.035 1.00 0.00 C ATOM 913 CG HIS A 54 -1.232 -0.570 12.808 1.00 0.00 C ATOM 914 ND1 HIS A 54 -2.513 -0.046 12.878 1.00 0.00 N ATOM 915 CD2 HIS A 54 -1.259 -1.727 13.546 1.00 0.00 C ATOM 916 CE1 HIS A 54 -3.251 -0.880 13.634 1.00 0.00 C ATOM 917 NE2 HIS A 54 -2.535 -1.921 14.067 1.00 0.00 N ATOM 0 H HIS A 54 1.788 0.723 10.570 1.00 0.00 H new ATOM 0 HA HIS A 54 1.074 -1.674 11.852 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.563 0.590 12.719 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.545 0.877 11.391 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -0.418 -2.387 13.699 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.295 -0.726 13.863 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.854 -2.692 14.653 1.00 0.00 H new ATOM 925 N ASN A 55 -1.030 -0.907 9.405 1.00 0.00 N ATOM 926 CA ASN A 55 -2.009 -1.534 8.474 1.00 0.00 C ATOM 927 C ASN A 55 -1.333 -2.688 7.730 1.00 0.00 C ATOM 928 O ASN A 55 -1.975 -3.623 7.295 1.00 0.00 O ATOM 929 CB ASN A 55 -2.491 -0.491 7.464 1.00 0.00 C ATOM 930 CG ASN A 55 -3.834 0.081 7.922 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.843 -0.115 7.275 1.00 0.00 O ATOM 932 ND2 ASN A 55 -3.889 0.784 9.020 1.00 0.00 N ATOM 0 H ASN A 55 -0.920 0.102 9.304 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.860 -1.913 9.040 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.756 0.308 7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.594 -0.944 6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.779 1.169 9.335 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.042 0.948 9.563 1.00 0.00 H new ATOM 939 N LEU A 56 -0.038 -2.625 7.578 1.00 0.00 N ATOM 940 CA LEU A 56 0.685 -3.713 6.859 1.00 0.00 C ATOM 941 C LEU A 56 0.743 -4.967 7.738 1.00 0.00 C ATOM 942 O LEU A 56 0.623 -6.077 7.258 1.00 0.00 O ATOM 943 CB LEU A 56 2.113 -3.254 6.543 1.00 0.00 C ATOM 944 CG LEU A 56 2.208 -2.780 5.089 1.00 0.00 C ATOM 945 CD1 LEU A 56 3.676 -2.546 4.728 1.00 0.00 C ATOM 946 CD2 LEU A 56 1.625 -3.846 4.157 1.00 0.00 C ATOM 0 H LEU A 56 0.551 -1.866 7.921 1.00 0.00 H new ATOM 0 HA LEU A 56 0.157 -3.943 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.400 -2.446 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.812 -4.073 6.712 1.00 0.00 H new ATOM 0 HG LEU A 56 1.646 -1.853 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.747 -2.209 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.096 -1.786 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.232 -3.476 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.695 -3.504 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.185 -4.774 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.579 -4.020 4.412 1.00 0.00 H new ATOM 958 N SER A 57 0.941 -4.802 9.018 1.00 0.00 N ATOM 959 CA SER A 57 1.022 -5.987 9.923 1.00 0.00 C ATOM 960 C SER A 57 -0.381 -6.525 10.222 1.00 0.00 C ATOM 961 O SER A 57 -0.604 -7.719 10.241 1.00 0.00 O ATOM 962 CB SER A 57 1.698 -5.580 11.232 1.00 0.00 C ATOM 963 OG SER A 57 1.828 -4.166 11.272 1.00 0.00 O ATOM 0 H SER A 57 1.050 -3.898 9.477 1.00 0.00 H new ATOM 0 HA SER A 57 1.603 -6.768 9.432 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.110 -5.927 12.082 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.679 -6.049 11.310 1.00 0.00 H new ATOM 0 HG SER A 57 2.260 -3.901 12.111 1.00 0.00 H new ATOM 969 N LEU A 58 -1.325 -5.658 10.466 1.00 0.00 N ATOM 970 CA LEU A 58 -2.706 -6.132 10.773 1.00 0.00 C ATOM 971 C LEU A 58 -3.359 -6.671 9.500 1.00 0.00 C ATOM 972 O LEU A 58 -4.198 -7.548 9.545 1.00 0.00 O ATOM 973 CB LEU A 58 -3.538 -4.970 11.318 1.00 0.00 C ATOM 974 CG LEU A 58 -4.788 -5.519 12.005 1.00 0.00 C ATOM 975 CD1 LEU A 58 -4.864 -4.982 13.435 1.00 0.00 C ATOM 976 CD2 LEU A 58 -6.032 -5.080 11.230 1.00 0.00 C ATOM 0 H LEU A 58 -1.202 -4.645 10.466 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.656 -6.925 11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.948 -4.386 12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.820 -4.299 10.507 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.739 -6.608 12.028 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.756 -5.374 13.924 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.979 -5.295 13.989 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.911 -3.893 13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.923 -5.472 11.720 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.080 -3.991 11.206 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.980 -5.464 10.211 1.00 0.00 H new ATOM 988 N HIS A 59 -2.980 -6.156 8.364 1.00 0.00 N ATOM 989 CA HIS A 59 -3.579 -6.645 7.091 1.00 0.00 C ATOM 990 C HIS A 59 -2.909 -7.960 6.692 1.00 0.00 C ATOM 991 O HIS A 59 -1.819 -7.977 6.154 1.00 0.00 O ATOM 992 CB HIS A 59 -3.367 -5.598 5.997 1.00 0.00 C ATOM 993 CG HIS A 59 -4.255 -4.411 6.263 1.00 0.00 C ATOM 994 ND1 HIS A 59 -5.460 -4.527 6.938 1.00 0.00 N ATOM 995 CD2 HIS A 59 -4.125 -3.080 5.951 1.00 0.00 C ATOM 996 CE1 HIS A 59 -6.005 -3.297 7.008 1.00 0.00 C ATOM 997 NE2 HIS A 59 -5.231 -2.379 6.423 1.00 0.00 N ATOM 0 H HIS A 59 -2.283 -5.419 8.262 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.648 -6.812 7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.323 -5.287 5.973 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.595 -6.025 5.020 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.292 -2.644 5.420 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.952 -3.080 7.480 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.412 -1.379 6.340 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.549 -9.064 6.963 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.950 -10.383 6.614 1.00 0.00 C ATOM 1007 C LYS A 60 -3.028 -10.612 5.103 1.00 0.00 C ATOM 1008 O LYS A 60 -2.333 -11.448 4.561 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.715 -11.495 7.337 1.00 0.00 C ATOM 1010 CG LYS A 60 -3.151 -11.670 8.748 1.00 0.00 C ATOM 1011 CD LYS A 60 -3.891 -12.808 9.456 1.00 0.00 C ATOM 1012 CE LYS A 60 -3.404 -12.911 10.902 1.00 0.00 C ATOM 1013 NZ LYS A 60 -3.477 -14.331 11.349 1.00 0.00 N ATOM 0 H LYS A 60 -4.464 -9.110 7.412 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.905 -10.393 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.776 -11.248 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.630 -12.429 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.084 -11.890 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.261 -10.744 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.965 -12.626 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.717 -13.749 8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.380 -12.546 10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.016 -12.283 11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.146 -14.403 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.461 -14.664 11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.875 -14.919 10.737 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.862 -9.881 4.411 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.957 -10.082 2.938 1.00 0.00 C ATOM 1029 C TYR A 61 -2.707 -9.505 2.265 1.00 0.00 C ATOM 1030 O TYR A 61 -2.516 -9.632 1.073 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.217 -9.403 2.393 1.00 0.00 C ATOM 1032 CG TYR A 61 -5.236 -7.947 2.783 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -4.512 -7.013 2.036 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.990 -7.529 3.885 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -4.540 -5.661 2.390 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -6.020 -6.175 4.240 1.00 0.00 C ATOM 1037 CZ TYR A 61 -5.295 -5.241 3.492 1.00 0.00 C ATOM 1038 OH TYR A 61 -5.325 -3.906 3.839 1.00 0.00 O ATOM 0 H TYR A 61 -4.474 -9.162 4.797 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.020 -11.148 2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.248 -9.496 1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.105 -9.902 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.931 -7.336 1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.549 -8.251 4.462 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.979 -4.940 1.813 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.602 -5.852 5.090 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.598 -3.433 3.382 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.841 -8.892 3.031 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.587 -8.331 2.452 1.00 0.00 C ATOM 1050 C PHE A 62 0.527 -9.363 2.638 1.00 0.00 C ATOM 1051 O PHE A 62 0.689 -9.916 3.708 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.214 -7.044 3.193 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.809 -5.852 2.484 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.616 -5.686 1.108 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.550 -4.909 3.205 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -1.164 -4.574 0.455 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -2.097 -3.799 2.553 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.905 -3.631 1.177 1.00 0.00 C ATOM 0 H PHE A 62 -1.951 -8.756 4.036 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.726 -8.107 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.578 -7.087 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.870 -6.944 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.046 -6.414 0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.700 -5.038 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.015 -4.444 -0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.667 -3.072 3.111 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.328 -2.775 0.673 1.00 0.00 H new ATOM 1068 N VAL A 63 1.293 -9.647 1.618 1.00 0.00 N ATOM 1069 CA VAL A 63 2.372 -10.664 1.783 1.00 0.00 C ATOM 1070 C VAL A 63 3.699 -10.119 1.254 1.00 0.00 C ATOM 1071 O VAL A 63 3.754 -9.483 0.220 1.00 0.00 O ATOM 1072 CB VAL A 63 1.997 -11.927 1.008 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.201 -12.870 0.952 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.834 -12.626 1.714 1.00 0.00 C ATOM 0 H VAL A 63 1.221 -9.226 0.692 1.00 0.00 H new ATOM 0 HA VAL A 63 2.483 -10.897 2.842 1.00 0.00 H new ATOM 0 HB VAL A 63 1.701 -11.658 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.933 -13.770 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.031 -12.371 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.498 -13.141 1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.564 -13.527 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.132 -12.895 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.024 -11.955 1.754 1.00 0.00 H new ATOM 1084 N ARG A 64 4.773 -10.376 1.953 1.00 0.00 N ATOM 1085 CA ARG A 64 6.099 -9.886 1.486 1.00 0.00 C ATOM 1086 C ARG A 64 6.888 -11.060 0.903 1.00 0.00 C ATOM 1087 O ARG A 64 7.108 -12.059 1.556 1.00 0.00 O ATOM 1088 CB ARG A 64 6.871 -9.276 2.659 1.00 0.00 C ATOM 1089 CG ARG A 64 6.870 -10.247 3.843 1.00 0.00 C ATOM 1090 CD ARG A 64 7.972 -9.850 4.828 1.00 0.00 C ATOM 1091 NE ARG A 64 8.758 -11.057 5.212 1.00 0.00 N ATOM 1092 CZ ARG A 64 10.058 -11.052 5.096 1.00 0.00 C ATOM 1093 NH1 ARG A 64 10.748 -10.026 5.515 1.00 0.00 N ATOM 1094 NH2 ARG A 64 10.671 -12.073 4.561 1.00 0.00 N ATOM 0 H ARG A 64 4.787 -10.904 2.826 1.00 0.00 H new ATOM 0 HA ARG A 64 5.958 -9.122 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.895 -9.057 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.416 -8.330 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.900 -10.231 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.031 -11.266 3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.627 -9.106 4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.534 -9.392 5.715 1.00 0.00 H new ATOM 0 HE ARG A 64 8.280 -11.886 5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.271 -9.227 5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.764 -10.023 5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.134 -12.876 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.687 -12.068 4.471 1.00 0.00 H new ATOM 1108 N VAL A 65 7.306 -10.954 -0.329 1.00 0.00 N ATOM 1109 CA VAL A 65 8.065 -12.068 -0.952 1.00 0.00 C ATOM 1110 C VAL A 65 9.512 -11.639 -1.202 1.00 0.00 C ATOM 1111 O VAL A 65 9.772 -10.609 -1.790 1.00 0.00 O ATOM 1112 CB VAL A 65 7.410 -12.451 -2.280 1.00 0.00 C ATOM 1113 CG1 VAL A 65 7.824 -13.873 -2.661 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.888 -12.386 -2.132 1.00 0.00 C ATOM 0 H VAL A 65 7.153 -10.143 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 65 8.058 -12.926 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 65 7.731 -11.759 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.357 -14.147 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.908 -13.921 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.502 -14.566 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.419 -12.659 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.568 -13.080 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.592 -11.373 -1.859 1.00 0.00 H new ATOM 1124 N GLU A 66 10.455 -12.427 -0.766 1.00 0.00 N ATOM 1125 CA GLU A 66 11.883 -12.072 -0.983 1.00 0.00 C ATOM 1126 C GLU A 66 12.232 -12.258 -2.459 1.00 0.00 C ATOM 1127 O GLU A 66 12.227 -13.360 -2.973 1.00 0.00 O ATOM 1128 CB GLU A 66 12.770 -12.981 -0.131 1.00 0.00 C ATOM 1129 CG GLU A 66 14.018 -12.213 0.307 1.00 0.00 C ATOM 1130 CD GLU A 66 15.268 -12.946 -0.182 1.00 0.00 C ATOM 1131 OE1 GLU A 66 15.316 -14.156 -0.037 1.00 0.00 O ATOM 1132 OE2 GLU A 66 16.157 -12.285 -0.695 1.00 0.00 O ATOM 0 H GLU A 66 10.297 -13.303 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 66 12.048 -11.033 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.219 -13.329 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.056 -13.865 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.996 -11.201 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.039 -12.122 1.393 1.00 0.00 H new ATOM 1139 N ASN A 67 12.535 -11.193 -3.149 1.00 0.00 N ATOM 1140 CA ASN A 67 12.881 -11.314 -4.587 1.00 0.00 C ATOM 1141 C ASN A 67 14.272 -10.731 -4.832 1.00 0.00 C ATOM 1142 O ASN A 67 14.800 -9.993 -4.025 1.00 0.00 O ATOM 1143 CB ASN A 67 11.852 -10.554 -5.427 1.00 0.00 C ATOM 1144 CG ASN A 67 11.540 -11.352 -6.694 1.00 0.00 C ATOM 1145 OD1 ASN A 67 12.394 -12.041 -7.219 1.00 0.00 O ATOM 1146 ND2 ASN A 67 10.344 -11.288 -7.212 1.00 0.00 N ATOM 0 H ASN A 67 12.557 -10.244 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 67 12.876 -12.366 -4.872 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.941 -10.396 -4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.237 -9.569 -5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.125 -11.816 -8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.628 -10.710 -6.772 1.00 0.00 H new ATOM 1153 N VAL A 68 14.871 -11.058 -5.944 1.00 0.00 N ATOM 1154 CA VAL A 68 16.228 -10.523 -6.246 1.00 0.00 C ATOM 1155 C VAL A 68 16.238 -9.007 -6.035 1.00 0.00 C ATOM 1156 O VAL A 68 17.132 -8.463 -5.419 1.00 0.00 O ATOM 1157 CB VAL A 68 16.591 -10.838 -7.699 1.00 0.00 C ATOM 1158 CG1 VAL A 68 16.943 -12.322 -7.827 1.00 0.00 C ATOM 1159 CG2 VAL A 68 15.400 -10.520 -8.604 1.00 0.00 C ATOM 0 H VAL A 68 14.479 -11.673 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 68 16.956 -10.987 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 68 17.447 -10.233 -7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.202 -12.547 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.792 -12.551 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.087 -12.926 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.659 -10.745 -9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.544 -11.125 -8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.147 -9.464 -8.514 1.00 0.00 H new ATOM 1169 N LYS A 69 15.251 -8.321 -6.545 1.00 0.00 N ATOM 1170 CA LYS A 69 15.205 -6.844 -6.379 1.00 0.00 C ATOM 1171 C LYS A 69 15.036 -6.500 -4.897 1.00 0.00 C ATOM 1172 O LYS A 69 15.210 -5.369 -4.488 1.00 0.00 O ATOM 1173 CB LYS A 69 14.026 -6.281 -7.174 1.00 0.00 C ATOM 1174 CG LYS A 69 14.228 -4.781 -7.397 1.00 0.00 C ATOM 1175 CD LYS A 69 14.399 -4.507 -8.893 1.00 0.00 C ATOM 1176 CE LYS A 69 14.644 -3.012 -9.111 1.00 0.00 C ATOM 1177 NZ LYS A 69 13.450 -2.400 -9.758 1.00 0.00 N ATOM 0 H LYS A 69 14.474 -8.723 -7.070 1.00 0.00 H new ATOM 0 HA LYS A 69 16.133 -6.407 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.943 -6.794 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.094 -6.457 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.373 -4.226 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.106 -4.436 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.235 -5.085 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.509 -4.824 -9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.844 -2.523 -8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.525 -2.865 -9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.618 -1.384 -9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.278 -2.859 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.619 -2.528 -9.146 1.00 0.00 H new ATOM 1191 N GLY A 70 14.696 -7.467 -4.089 1.00 0.00 N ATOM 1192 CA GLY A 70 14.514 -7.199 -2.641 1.00 0.00 C ATOM 1193 C GLY A 70 13.099 -7.604 -2.221 1.00 0.00 C ATOM 1194 O GLY A 70 12.301 -8.034 -3.030 1.00 0.00 O ATOM 0 H GLY A 70 14.537 -8.433 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.250 -7.756 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.678 -6.142 -2.432 1.00 0.00 H new ATOM 1198 N ALA A 71 12.782 -7.469 -0.963 1.00 0.00 N ATOM 1199 CA ALA A 71 11.420 -7.846 -0.494 1.00 0.00 C ATOM 1200 C ALA A 71 10.376 -7.033 -1.263 1.00 0.00 C ATOM 1201 O ALA A 71 10.611 -5.903 -1.641 1.00 0.00 O ATOM 1202 CB ALA A 71 11.298 -7.550 1.002 1.00 0.00 C ATOM 0 H ALA A 71 13.408 -7.114 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 71 11.254 -8.909 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.301 -7.825 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.044 -8.127 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.462 -6.487 1.177 1.00 0.00 H new ATOM 1208 N VAL A 72 9.224 -7.600 -1.499 1.00 0.00 N ATOM 1209 CA VAL A 72 8.171 -6.855 -2.246 1.00 0.00 C ATOM 1210 C VAL A 72 6.864 -6.874 -1.448 1.00 0.00 C ATOM 1211 O VAL A 72 6.671 -7.689 -0.571 1.00 0.00 O ATOM 1212 CB VAL A 72 7.945 -7.511 -3.608 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.226 -7.411 -4.440 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.583 -8.984 -3.410 1.00 0.00 C ATOM 0 H VAL A 72 8.967 -8.543 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 72 8.494 -5.824 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 72 7.132 -7.002 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.066 -7.878 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.488 -6.362 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.038 -7.921 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.422 -9.453 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.397 -9.492 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.672 -9.058 -2.815 1.00 0.00 H new ATOM 1224 N TRP A 73 5.970 -5.973 -1.752 1.00 0.00 N ATOM 1225 CA TRP A 73 4.675 -5.917 -1.024 1.00 0.00 C ATOM 1226 C TRP A 73 3.546 -6.379 -1.948 1.00 0.00 C ATOM 1227 O TRP A 73 3.164 -5.686 -2.868 1.00 0.00 O ATOM 1228 CB TRP A 73 4.412 -4.482 -0.566 1.00 0.00 C ATOM 1229 CG TRP A 73 5.332 -4.150 0.565 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.336 -3.246 0.511 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.352 -4.703 1.913 1.00 0.00 C ATOM 1232 NE1 TRP A 73 6.970 -3.207 1.739 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.400 -4.087 2.637 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.570 -5.669 2.571 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.663 -4.419 3.966 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.832 -6.005 3.909 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.876 -5.380 4.605 1.00 0.00 C ATOM 0 H TRP A 73 6.085 -5.268 -2.480 1.00 0.00 H new ATOM 0 HA TRP A 73 4.717 -6.573 -0.154 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.568 -3.789 -1.393 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.374 -4.373 -0.250 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.600 -2.651 -0.351 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.762 -2.602 1.955 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.763 -6.156 2.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.470 -3.936 4.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 4.226 -6.749 4.405 1.00 0.00 H new ATOM 0 HH2 TRP A 73 6.072 -5.641 5.634 1.00 0.00 H new ATOM 1248 N THR A 74 3.014 -7.549 -1.723 1.00 0.00 N ATOM 1249 CA THR A 74 1.931 -8.050 -2.599 1.00 0.00 C ATOM 1250 C THR A 74 0.642 -8.243 -1.799 1.00 0.00 C ATOM 1251 O THR A 74 0.639 -8.214 -0.584 1.00 0.00 O ATOM 1252 CB THR A 74 2.367 -9.380 -3.209 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.258 -10.002 -3.842 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.909 -10.293 -2.107 1.00 0.00 C ATOM 0 H THR A 74 3.287 -8.177 -0.967 1.00 0.00 H new ATOM 0 HA THR A 74 1.739 -7.323 -3.388 1.00 0.00 H new ATOM 0 HB THR A 74 3.148 -9.201 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.977 -9.464 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.220 -11.243 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.764 -9.816 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.130 -10.471 -1.366 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.458 -8.440 -2.478 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.755 -8.635 -1.767 1.00 0.00 C ATOM 1264 C VAL A 75 -2.478 -9.851 -2.351 1.00 0.00 C ATOM 1265 O VAL A 75 -2.494 -10.058 -3.548 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.626 -7.392 -1.950 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -2.966 -7.219 -3.432 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -3.921 -7.553 -1.150 1.00 0.00 C ATOM 0 H VAL A 75 -0.513 -8.474 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.567 -8.797 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.084 -6.516 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.587 -6.333 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.046 -7.105 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.507 -8.096 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.542 -6.667 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.462 -8.430 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.683 -7.677 -0.094 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.082 -10.654 -1.518 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.807 -11.851 -2.033 1.00 0.00 C ATOM 1280 C ASP A 76 -5.267 -11.481 -2.302 1.00 0.00 C ATOM 1281 O ASP A 76 -5.897 -10.793 -1.522 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.743 -12.975 -0.996 1.00 0.00 C ATOM 1283 CG ASP A 76 -4.548 -14.177 -1.494 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -4.002 -14.951 -2.263 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -5.695 -14.304 -1.099 1.00 0.00 O ATOM 0 H ASP A 76 -3.105 -10.534 -0.505 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.341 -12.190 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.707 -13.265 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.141 -12.627 -0.043 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.811 -11.924 -3.402 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.229 -11.589 -3.719 1.00 0.00 C ATOM 1292 C GLU A 77 -8.159 -12.333 -2.761 1.00 0.00 C ATOM 1293 O GLU A 77 -9.102 -11.771 -2.238 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.542 -12.000 -5.159 1.00 0.00 C ATOM 1295 CG GLU A 77 -8.651 -11.104 -5.715 1.00 0.00 C ATOM 1296 CD GLU A 77 -8.132 -10.347 -6.939 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -7.220 -10.846 -7.576 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -8.655 -9.280 -7.218 1.00 0.00 O ATOM 0 H GLU A 77 -5.336 -12.503 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.380 -10.515 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.647 -11.915 -5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.853 -13.044 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.517 -11.707 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.981 -10.399 -4.951 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.904 -13.589 -2.519 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.775 -14.353 -1.588 1.00 0.00 C ATOM 1307 C VAL A 78 -8.802 -13.633 -0.245 1.00 0.00 C ATOM 1308 O VAL A 78 -9.845 -13.290 0.276 1.00 0.00 O ATOM 1309 CB VAL A 78 -8.209 -15.759 -1.392 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -9.213 -16.609 -0.614 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.945 -16.396 -2.757 1.00 0.00 C ATOM 0 H VAL A 78 -7.132 -14.117 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.782 -14.424 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.275 -15.701 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.809 -17.612 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.399 -16.154 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.148 -16.669 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.541 -17.399 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.878 -16.455 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.227 -15.789 -3.309 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.651 -13.409 0.317 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.578 -12.713 1.629 1.00 0.00 C ATOM 1323 C GLU A 79 -8.078 -11.274 1.480 1.00 0.00 C ATOM 1324 O GLU A 79 -8.936 -10.827 2.217 1.00 0.00 O ATOM 1325 CB GLU A 79 -6.129 -12.702 2.116 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.991 -13.626 3.325 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.548 -12.925 4.566 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -6.401 -11.718 4.654 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -7.111 -13.608 5.405 1.00 0.00 O ATOM 0 H GLU A 79 -6.751 -13.680 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.203 -13.237 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.463 -13.029 1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.832 -11.688 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.528 -14.558 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.944 -13.887 3.480 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.549 -10.542 0.537 1.00 0.00 N ATOM 1337 CA PHE A 80 -7.997 -9.133 0.354 1.00 0.00 C ATOM 1338 C PHE A 80 -9.508 -9.099 0.114 1.00 0.00 C ATOM 1339 O PHE A 80 -10.229 -8.351 0.746 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.277 -8.517 -0.849 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.653 -7.058 -0.963 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -8.824 -6.688 -1.637 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -6.834 -6.078 -0.391 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.174 -5.337 -1.739 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.185 -4.727 -0.493 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.355 -4.356 -1.167 1.00 0.00 C ATOM 0 H PHE A 80 -6.828 -10.858 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.760 -8.562 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.198 -8.618 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.550 -9.047 -1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.456 -7.445 -2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.932 -6.364 0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.076 -5.051 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.553 -3.970 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.626 -3.313 -1.246 1.00 0.00 H new ATOM 1356 N GLN A 81 -9.993 -9.899 -0.794 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.458 -9.909 -1.075 1.00 0.00 C ATOM 1358 C GLN A 81 -12.201 -10.557 0.094 1.00 0.00 C ATOM 1359 O GLN A 81 -13.414 -10.559 0.146 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.724 -10.707 -2.352 1.00 0.00 C ATOM 1361 CG GLN A 81 -13.088 -10.316 -2.926 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.651 -11.480 -3.745 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -13.135 -12.579 -3.692 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -14.694 -11.284 -4.504 1.00 0.00 N ATOM 0 H GLN A 81 -9.439 -10.547 -1.354 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.809 -8.885 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.941 -10.513 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.701 -11.775 -2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.774 -10.060 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.990 -9.430 -3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.127 -10.361 -4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.077 -12.053 -5.053 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.484 -11.110 1.034 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.152 -11.758 2.196 1.00 0.00 C ATOM 1375 C LYS A 82 -13.124 -10.770 2.846 1.00 0.00 C ATOM 1376 O LYS A 82 -14.327 -10.904 2.735 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.098 -12.186 3.219 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.627 -13.368 4.032 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.871 -13.453 5.360 1.00 0.00 C ATOM 1380 CE LYS A 82 -11.497 -14.541 6.235 1.00 0.00 C ATOM 1381 NZ LYS A 82 -10.465 -15.092 7.157 1.00 0.00 N ATOM 0 H LYS A 82 -10.465 -11.141 1.047 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.702 -12.635 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.175 -12.465 2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.859 -11.354 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.695 -13.248 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.503 -14.294 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.820 -13.677 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.908 -12.492 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.328 -14.129 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.903 -15.336 5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.890 -15.832 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.686 -15.500 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.097 -14.330 7.762 1.00 0.00 H new ATOM 1395 N ARG A 83 -12.616 -9.779 3.527 1.00 0.00 N ATOM 1396 CA ARG A 83 -13.509 -8.791 4.184 1.00 0.00 C ATOM 1397 C ARG A 83 -13.833 -7.657 3.207 1.00 0.00 C ATOM 1398 O ARG A 83 -14.136 -6.550 3.606 1.00 0.00 O ATOM 1399 CB ARG A 83 -12.813 -8.217 5.421 1.00 0.00 C ATOM 1400 CG ARG A 83 -13.836 -7.470 6.282 1.00 0.00 C ATOM 1401 CD ARG A 83 -14.482 -8.445 7.268 1.00 0.00 C ATOM 1402 NE ARG A 83 -15.950 -8.199 7.317 1.00 0.00 N ATOM 1403 CZ ARG A 83 -16.782 -9.148 6.983 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -16.744 -10.296 7.602 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -17.650 -8.949 6.030 1.00 0.00 N ATOM 0 H ARG A 83 -11.618 -9.613 3.655 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.434 -9.284 4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.353 -9.019 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.012 -7.541 5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.349 -6.659 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.599 -7.018 5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.284 -9.473 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.048 -8.318 8.260 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.305 -7.289 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.064 -10.452 8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.394 -11.038 7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.679 -8.052 5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.300 -9.691 5.769 1.00 0.00 H new ATOM 1419 N ARG A 84 -13.769 -7.921 1.930 1.00 0.00 N ATOM 1420 CA ARG A 84 -14.073 -6.856 0.933 1.00 0.00 C ATOM 1421 C ARG A 84 -15.443 -6.239 1.232 1.00 0.00 C ATOM 1422 O ARG A 84 -15.563 -5.035 1.347 1.00 0.00 O ATOM 1423 CB ARG A 84 -14.079 -7.455 -0.475 1.00 0.00 C ATOM 1424 CG ARG A 84 -13.191 -6.612 -1.391 1.00 0.00 C ATOM 1425 CD ARG A 84 -13.925 -5.324 -1.771 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.944 -4.326 -2.281 1.00 0.00 N ATOM 1427 CZ ARG A 84 -13.344 -3.359 -3.062 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -14.163 -2.451 -2.606 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -12.926 -3.301 -4.297 1.00 0.00 N ATOM 0 H ARG A 84 -13.519 -8.828 1.535 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.309 -6.081 0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -13.718 -8.483 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -15.097 -7.485 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.254 -6.374 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -12.937 -7.176 -2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -14.677 -5.532 -2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -14.451 -4.923 -0.904 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.960 -4.398 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.490 -2.497 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.476 -1.695 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.286 -4.011 -4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.239 -2.545 -4.906 1.00 0.00 H new ATOM 1443 N PRO A 85 -16.439 -7.082 1.346 1.00 0.00 N ATOM 1444 CA PRO A 85 -17.817 -6.644 1.626 1.00 0.00 C ATOM 1445 C PRO A 85 -17.981 -6.317 3.114 1.00 0.00 C ATOM 1446 O PRO A 85 -18.667 -7.008 3.839 1.00 0.00 O ATOM 1447 CB PRO A 85 -18.665 -7.856 1.234 1.00 0.00 C ATOM 1448 CG PRO A 85 -17.726 -9.084 1.295 1.00 0.00 C ATOM 1449 CD PRO A 85 -16.287 -8.545 1.206 1.00 0.00 C ATOM 0 HA PRO A 85 -18.100 -5.741 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.508 -7.977 1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -19.079 -7.733 0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -17.875 -9.639 2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.933 -9.771 0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -15.658 -8.957 1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.821 -8.808 0.256 1.00 0.00 H new ATOM 1457 N GLN A 86 -17.354 -5.268 3.571 1.00 0.00 N ATOM 1458 CA GLN A 86 -17.471 -4.895 5.009 1.00 0.00 C ATOM 1459 C GLN A 86 -18.949 -4.772 5.389 1.00 0.00 C ATOM 1460 O GLN A 86 -19.646 -3.889 4.931 1.00 0.00 O ATOM 1461 CB GLN A 86 -16.773 -3.554 5.246 1.00 0.00 C ATOM 1462 CG GLN A 86 -16.093 -3.569 6.615 1.00 0.00 C ATOM 1463 CD GLN A 86 -14.594 -3.819 6.437 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -14.066 -3.668 5.353 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -13.883 -4.199 7.462 1.00 0.00 N ATOM 0 H GLN A 86 -16.765 -4.652 3.010 1.00 0.00 H new ATOM 0 HA GLN A 86 -17.002 -5.665 5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -16.036 -3.372 4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -17.497 -2.741 5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -16.256 -2.619 7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -16.530 -4.346 7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.327 -4.326 8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.883 -4.370 7.354 1.00 0.00 H new ATOM 1474 N LYS A 87 -19.431 -5.652 6.225 1.00 0.00 N ATOM 1475 CA LYS A 87 -20.857 -5.587 6.634 1.00 0.00 C ATOM 1476 C LYS A 87 -20.982 -4.803 7.943 1.00 0.00 C ATOM 1477 O LYS A 87 -19.956 -4.405 8.471 1.00 0.00 O ATOM 1478 CB LYS A 87 -21.397 -7.006 6.833 1.00 0.00 C ATOM 1479 CG LYS A 87 -22.449 -7.306 5.763 1.00 0.00 C ATOM 1480 CD LYS A 87 -23.454 -8.323 6.306 1.00 0.00 C ATOM 1481 CE LYS A 87 -22.846 -9.726 6.243 1.00 0.00 C ATOM 1482 NZ LYS A 87 -22.054 -9.979 7.478 1.00 0.00 N ATOM 1483 OXT LYS A 87 -22.099 -4.616 8.395 1.00 0.00 O ATOM 0 H LYS A 87 -18.895 -6.413 6.641 1.00 0.00 H new ATOM 0 HA LYS A 87 -21.433 -5.085 5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -20.583 -7.728 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -21.835 -7.104 7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -22.963 -6.389 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -21.969 -7.697 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -23.718 -8.076 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -24.374 -8.288 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -23.635 -10.472 6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -22.208 -9.819 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -22.167 -10.972 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -21.049 -9.784 7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -22.392 -9.358 8.240 1.00 0.00 H new TER 1497 LYS A 87