USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 118:sc= 1.59 USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= -0.221 (180deg=-1.26) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 162:sc= -1.02 (180deg=-2.42!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0648 USER MOD Single : A 36 GLN : amide:sc=-0.00501 X(o=-0.005,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= 0.0254 (180deg=0.00116) USER MOD Single : A 43 SER OG : rot 75:sc= 1.25 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.991 USER MOD Single : A 57 TYR OH : rot -60:sc= 1.16 USER MOD Single : A 59 SER OG : rot -174:sc= 0.581 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.403) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.15 F(o=-3.5!,f=-1.1) USER MOD Single : A 74 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.8!) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.38 F(o=-2.2!,f=-1.4) USER MOD Single : A 79 TYR OH : rot 30:sc= -1.2 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.1!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 -0.072 5.058 -13.429 1.00 0.00 N ATOM 67 CA GLN A 8 0.702 3.839 -13.634 1.00 0.00 C ATOM 68 C GLN A 8 0.675 2.961 -12.387 1.00 0.00 C ATOM 69 O GLN A 8 0.515 3.454 -11.270 1.00 0.00 O ATOM 70 CB GLN A 8 2.148 4.183 -13.998 1.00 0.00 C ATOM 71 CG GLN A 8 2.898 4.906 -12.892 1.00 0.00 C ATOM 72 CD GLN A 8 4.293 5.326 -13.311 1.00 0.00 C ATOM 73 OE1 GLN A 8 4.469 6.315 -14.024 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.296 4.575 -12.870 1.00 0.00 N ATOM 0 HA GLN A 8 0.249 3.285 -14.456 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.680 3.264 -14.246 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.150 4.804 -14.894 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.332 5.788 -12.591 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.965 4.257 -12.019 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.105 3.764 -12.281 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.257 4.809 -13.120 1.00 0.00 H new ATOM 83 N LEU A 9 0.831 1.656 -12.585 1.00 0.00 N ATOM 84 CA LEU A 9 0.824 0.708 -11.477 1.00 0.00 C ATOM 85 C LEU A 9 2.225 0.536 -10.898 1.00 0.00 C ATOM 86 O LEU A 9 3.200 0.388 -11.637 1.00 0.00 O ATOM 87 CB LEU A 9 0.282 -0.645 -11.941 1.00 0.00 C ATOM 88 CG LEU A 9 -1.231 -0.835 -11.830 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.915 -0.443 -13.131 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.563 -2.274 -11.463 1.00 0.00 C ATOM 0 H LEU A 9 0.964 1.231 -13.503 1.00 0.00 H new ATOM 0 HA LEU A 9 0.175 1.104 -10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.571 -0.792 -12.982 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.770 -1.428 -11.361 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.602 -0.185 -11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.991 -0.585 -13.033 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.705 0.604 -13.351 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.539 -1.067 -13.942 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.644 -2.390 -11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.178 -2.944 -12.232 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.105 -2.520 -10.505 1.00 0.00 H new ATOM 102 N LEU A 10 2.319 0.553 -9.574 1.00 0.00 N ATOM 103 CA LEU A 10 3.601 0.396 -8.895 1.00 0.00 C ATOM 104 C LEU A 10 3.723 -0.992 -8.275 1.00 0.00 C ATOM 105 O LEU A 10 2.814 -1.459 -7.587 1.00 0.00 O ATOM 106 CB LEU A 10 3.762 1.466 -7.814 1.00 0.00 C ATOM 107 CG LEU A 10 3.055 2.796 -8.075 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.352 3.787 -6.960 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.471 3.366 -9.423 1.00 0.00 C ATOM 0 H LEU A 10 1.523 0.674 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 10 4.393 0.514 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.393 1.060 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.826 1.663 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 10 1.980 2.616 -8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.840 4.728 -7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.003 3.382 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.426 3.963 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.958 4.313 -9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.548 3.531 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.205 2.663 -10.213 1.00 0.00 H new ATOM 121 N THR A 11 4.853 -1.648 -8.521 1.00 0.00 N ATOM 122 CA THR A 11 5.094 -2.982 -7.987 1.00 0.00 C ATOM 123 C THR A 11 5.715 -2.913 -6.596 1.00 0.00 C ATOM 124 O THR A 11 6.918 -2.689 -6.452 1.00 0.00 O ATOM 125 CB THR A 11 6.020 -3.797 -8.910 1.00 0.00 C ATOM 126 OG1 THR A 11 5.439 -3.905 -10.214 1.00 0.00 O ATOM 127 CG2 THR A 11 6.262 -5.187 -8.341 1.00 0.00 C ATOM 0 H THR A 11 5.616 -1.276 -9.087 1.00 0.00 H new ATOM 0 HA THR A 11 4.125 -3.478 -7.926 1.00 0.00 H new ATOM 0 HB THR A 11 6.976 -3.278 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.034 -4.423 -10.795 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.918 -5.744 -9.009 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.730 -5.102 -7.360 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.311 -5.712 -8.245 1.00 0.00 H new ATOM 135 N LEU A 12 4.888 -3.107 -5.575 1.00 0.00 N ATOM 136 CA LEU A 12 5.357 -3.068 -4.194 1.00 0.00 C ATOM 137 C LEU A 12 4.981 -4.348 -3.454 1.00 0.00 C ATOM 138 O LEU A 12 4.259 -5.194 -3.983 1.00 0.00 O ATOM 139 CB LEU A 12 4.769 -1.856 -3.469 1.00 0.00 C ATOM 140 CG LEU A 12 4.855 -0.523 -4.213 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.809 0.449 -3.690 1.00 0.00 C ATOM 142 CD2 LEU A 12 6.250 0.071 -4.083 1.00 0.00 C ATOM 0 H LEU A 12 3.890 -3.293 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 12 6.444 -2.984 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.721 -2.061 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.278 -1.748 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 12 4.656 -0.705 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.886 1.392 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.815 0.027 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.976 0.626 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.293 1.019 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.478 0.238 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.980 -0.618 -4.507 1.00 0.00 H new ATOM 154 N LYS A 13 5.473 -4.483 -2.228 1.00 0.00 N ATOM 155 CA LYS A 13 5.186 -5.658 -1.413 1.00 0.00 C ATOM 156 C LYS A 13 4.339 -5.286 -0.201 1.00 0.00 C ATOM 157 O LYS A 13 4.638 -4.322 0.505 1.00 0.00 O ATOM 158 CB LYS A 13 6.490 -6.316 -0.955 1.00 0.00 C ATOM 159 CG LYS A 13 7.167 -7.142 -2.035 1.00 0.00 C ATOM 160 CD LYS A 13 8.604 -7.469 -1.668 1.00 0.00 C ATOM 161 CE LYS A 13 9.084 -8.733 -2.365 1.00 0.00 C ATOM 162 NZ LYS A 13 10.505 -9.039 -2.044 1.00 0.00 N ATOM 0 H LYS A 13 6.073 -3.793 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 13 4.624 -6.365 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.178 -5.542 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.283 -6.955 -0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.611 -8.066 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.147 -6.596 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.249 -6.634 -1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.685 -7.594 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.456 -9.573 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.972 -8.618 -3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.793 -9.907 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.108 -8.249 -2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.608 -9.174 -1.018 1.00 0.00 H new ATOM 176 N ILE A 14 3.282 -6.056 0.035 1.00 0.00 N ATOM 177 CA ILE A 14 2.394 -5.807 1.164 1.00 0.00 C ATOM 178 C ILE A 14 2.658 -6.791 2.299 1.00 0.00 C ATOM 179 O ILE A 14 2.621 -8.006 2.104 1.00 0.00 O ATOM 180 CB ILE A 14 0.914 -5.907 0.748 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.605 -4.902 -0.363 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.010 -5.672 1.949 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.837 -5.449 -1.754 1.00 0.00 C ATOM 0 H ILE A 14 3.020 -6.857 -0.540 1.00 0.00 H new ATOM 0 HA ILE A 14 2.599 -4.794 1.509 1.00 0.00 H new ATOM 0 HB ILE A 14 0.726 -6.911 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.434 -4.584 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.223 -4.015 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.033 -5.746 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.216 -6.423 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.198 -4.679 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.598 -4.682 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.882 -5.741 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.199 -6.318 -1.914 1.00 0.00 H new ATOM 195 N LYS A 15 2.924 -6.258 3.486 1.00 0.00 N ATOM 196 CA LYS A 15 3.193 -7.088 4.655 1.00 0.00 C ATOM 197 C LYS A 15 2.703 -6.407 5.929 1.00 0.00 C ATOM 198 O LYS A 15 2.951 -5.219 6.144 1.00 0.00 O ATOM 199 CB LYS A 15 4.690 -7.382 4.764 1.00 0.00 C ATOM 200 CG LYS A 15 5.060 -8.208 5.984 1.00 0.00 C ATOM 201 CD LYS A 15 6.481 -7.922 6.441 1.00 0.00 C ATOM 202 CE LYS A 15 6.549 -6.663 7.293 1.00 0.00 C ATOM 203 NZ LYS A 15 7.777 -6.629 8.135 1.00 0.00 N ATOM 0 H LYS A 15 2.959 -5.254 3.665 1.00 0.00 H new ATOM 0 HA LYS A 15 2.653 -8.027 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.015 -7.909 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.236 -6.439 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.365 -7.991 6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.958 -9.268 5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.858 -8.770 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.129 -7.810 5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.527 -5.786 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.668 -6.609 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.786 -5.756 8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.786 -7.453 8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.618 -6.654 7.524 1.00 0.00 H new ATOM 217 N CYS A 16 2.010 -7.165 6.771 1.00 0.00 N ATOM 218 CA CYS A 16 1.486 -6.634 8.025 1.00 0.00 C ATOM 219 C CYS A 16 2.560 -6.640 9.108 1.00 0.00 C ATOM 220 O CYS A 16 3.059 -7.696 9.496 1.00 0.00 O ATOM 221 CB CYS A 16 0.278 -7.452 8.484 1.00 0.00 C ATOM 222 SG CYS A 16 -0.300 -7.044 10.148 1.00 0.00 S ATOM 0 H CYS A 16 1.798 -8.149 6.609 1.00 0.00 H new ATOM 0 HA CYS A 16 1.174 -5.604 7.853 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.540 -7.300 7.779 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.535 -8.511 8.450 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.515 -6.586 10.085 1.00 0.00 H new ATOM 340 N ILE A 24 5.664 -12.140 2.994 1.00 0.00 N ATOM 341 CA ILE A 24 5.470 -10.894 2.264 1.00 0.00 C ATOM 342 C ILE A 24 4.917 -11.155 0.867 1.00 0.00 C ATOM 343 O ILE A 24 5.458 -11.965 0.114 1.00 0.00 O ATOM 344 CB ILE A 24 6.785 -10.102 2.142 1.00 0.00 C ATOM 345 CG1 ILE A 24 7.386 -9.853 3.528 1.00 0.00 C ATOM 346 CG2 ILE A 24 6.546 -8.785 1.419 1.00 0.00 C ATOM 347 CD1 ILE A 24 8.806 -9.332 3.486 1.00 0.00 C ATOM 0 HA ILE A 24 4.751 -10.305 2.833 1.00 0.00 H new ATOM 0 HB ILE A 24 7.493 -10.691 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.761 -9.138 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.365 -10.783 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.485 -8.237 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.158 -8.984 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.824 -8.189 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.167 -9.178 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.444 -10.056 2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.831 -8.386 2.946 1.00 0.00 H new ATOM 359 N LEU A 25 3.835 -10.463 0.526 1.00 0.00 N ATOM 360 CA LEU A 25 3.208 -10.618 -0.782 1.00 0.00 C ATOM 361 C LEU A 25 3.656 -9.514 -1.735 1.00 0.00 C ATOM 362 O LEU A 25 4.465 -8.661 -1.374 1.00 0.00 O ATOM 363 CB LEU A 25 1.685 -10.602 -0.644 1.00 0.00 C ATOM 364 CG LEU A 25 1.021 -11.951 -0.366 1.00 0.00 C ATOM 365 CD1 LEU A 25 1.002 -12.239 1.127 1.00 0.00 C ATOM 366 CD2 LEU A 25 -0.390 -11.978 -0.935 1.00 0.00 C ATOM 0 H LEU A 25 3.374 -9.789 1.137 1.00 0.00 H new ATOM 0 HA LEU A 25 3.519 -11.577 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.421 -9.917 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.262 -10.194 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 25 1.604 -12.730 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.526 -13.203 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.024 -12.263 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.443 -11.457 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.847 -12.945 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.984 -11.189 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.351 -11.818 -2.013 1.00 0.00 H new ATOM 378 N GLU A 26 3.122 -9.538 -2.952 1.00 0.00 N ATOM 379 CA GLU A 26 3.467 -8.538 -3.956 1.00 0.00 C ATOM 380 C GLU A 26 2.271 -8.234 -4.854 1.00 0.00 C ATOM 381 O GLU A 26 1.813 -9.092 -5.610 1.00 0.00 O ATOM 382 CB GLU A 26 4.646 -9.020 -4.804 1.00 0.00 C ATOM 383 CG GLU A 26 5.511 -7.892 -5.339 1.00 0.00 C ATOM 384 CD GLU A 26 6.528 -8.369 -6.358 1.00 0.00 C ATOM 385 OE1 GLU A 26 7.516 -9.016 -5.950 1.00 0.00 O ATOM 386 OE2 GLU A 26 6.337 -8.097 -7.561 1.00 0.00 O ATOM 0 H GLU A 26 2.450 -10.238 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 26 3.752 -7.623 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.265 -9.688 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.265 -9.604 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.873 -7.135 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.031 -7.413 -4.509 1.00 0.00 H new ATOM 393 N LYS A 27 1.768 -7.008 -4.765 1.00 0.00 N ATOM 394 CA LYS A 27 0.626 -6.588 -5.568 1.00 0.00 C ATOM 395 C LYS A 27 0.936 -5.300 -6.323 1.00 0.00 C ATOM 396 O LYS A 27 1.803 -4.526 -5.918 1.00 0.00 O ATOM 397 CB LYS A 27 -0.603 -6.388 -4.679 1.00 0.00 C ATOM 398 CG LYS A 27 -1.919 -6.652 -5.391 1.00 0.00 C ATOM 399 CD LYS A 27 -3.002 -7.086 -4.418 1.00 0.00 C ATOM 400 CE LYS A 27 -3.634 -5.893 -3.719 1.00 0.00 C ATOM 401 NZ LYS A 27 -2.763 -5.359 -2.636 1.00 0.00 N ATOM 0 H LYS A 27 2.134 -6.287 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 27 0.417 -7.373 -6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.528 -7.049 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.604 -5.366 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.238 -5.750 -5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.776 -7.425 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.770 -7.645 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.576 -7.761 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.830 -5.107 -4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.597 -6.186 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.330 -5.207 -1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.004 -6.040 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.346 -4.456 -2.940 1.00 0.00 H new ATOM 415 N GLN A 28 0.221 -5.076 -7.421 1.00 0.00 N ATOM 416 CA GLN A 28 0.421 -3.880 -8.231 1.00 0.00 C ATOM 417 C GLN A 28 -0.814 -2.985 -8.195 1.00 0.00 C ATOM 418 O GLN A 28 -1.919 -3.421 -8.520 1.00 0.00 O ATOM 419 CB GLN A 28 0.744 -4.265 -9.676 1.00 0.00 C ATOM 420 CG GLN A 28 2.149 -4.814 -9.860 1.00 0.00 C ATOM 421 CD GLN A 28 2.539 -4.943 -11.319 1.00 0.00 C ATOM 422 OE1 GLN A 28 2.814 -3.947 -11.990 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.566 -6.172 -11.819 1.00 0.00 N ATOM 0 H GLN A 28 -0.501 -5.706 -7.770 1.00 0.00 H new ATOM 0 HA GLN A 28 1.261 -3.326 -7.813 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.024 -5.011 -10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.619 -3.389 -10.313 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.860 -4.160 -9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.219 -5.791 -9.382 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.331 -6.969 -11.227 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.822 -6.320 -12.795 1.00 0.00 H new ATOM 432 N LEU A 29 -0.619 -1.733 -7.797 1.00 0.00 N ATOM 433 CA LEU A 29 -1.718 -0.776 -7.718 1.00 0.00 C ATOM 434 C LEU A 29 -1.321 0.561 -8.335 1.00 0.00 C ATOM 435 O LEU A 29 -0.179 1.009 -8.225 1.00 0.00 O ATOM 436 CB LEU A 29 -2.139 -0.573 -6.261 1.00 0.00 C ATOM 437 CG LEU A 29 -2.669 -1.812 -5.537 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.804 -2.446 -6.327 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.549 -2.816 -5.308 1.00 0.00 C ATOM 0 H LEU A 29 0.289 -1.356 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.560 -1.179 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.282 -0.191 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.908 0.198 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.057 -1.504 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.169 -3.326 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.616 -1.727 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.442 -2.740 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.944 -3.691 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.130 -3.119 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.769 -2.358 -4.700 1.00 0.00 H new ATOM 451 N PRO A 30 -2.285 1.216 -8.998 1.00 0.00 N ATOM 452 CA PRO A 30 -2.060 2.513 -9.644 1.00 0.00 C ATOM 453 C PRO A 30 -1.857 3.637 -8.633 1.00 0.00 C ATOM 454 O PRO A 30 -2.730 3.907 -7.807 1.00 0.00 O ATOM 455 CB PRO A 30 -3.346 2.739 -10.442 1.00 0.00 C ATOM 456 CG PRO A 30 -4.382 1.942 -9.727 1.00 0.00 C ATOM 457 CD PRO A 30 -3.668 0.742 -9.169 1.00 0.00 C ATOM 0 HA PRO A 30 -1.157 2.513 -10.254 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.612 3.796 -10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.234 2.408 -11.474 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.844 2.526 -8.931 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.180 1.641 -10.406 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.102 0.420 -8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.720 -0.108 -9.849 1.00 0.00 H new ATOM 465 N ASP A 31 -0.701 4.287 -8.703 1.00 0.00 N ATOM 466 CA ASP A 31 -0.384 5.383 -7.794 1.00 0.00 C ATOM 467 C ASP A 31 -1.601 6.275 -7.572 1.00 0.00 C ATOM 468 O ASP A 31 -1.714 6.944 -6.545 1.00 0.00 O ATOM 469 CB ASP A 31 0.777 6.211 -8.346 1.00 0.00 C ATOM 470 CG ASP A 31 0.473 6.799 -9.710 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.691 7.189 -9.940 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.397 6.869 -10.546 1.00 0.00 O ATOM 0 H ASP A 31 0.032 4.074 -9.379 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.091 4.954 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.008 7.017 -7.650 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.666 5.584 -8.414 1.00 0.00 H new ATOM 477 N SER A 32 -2.509 6.280 -8.543 1.00 0.00 N ATOM 478 CA SER A 32 -3.716 7.094 -8.457 1.00 0.00 C ATOM 479 C SER A 32 -4.593 6.643 -7.292 1.00 0.00 C ATOM 480 O SER A 32 -5.098 7.464 -6.527 1.00 0.00 O ATOM 481 CB SER A 32 -4.505 7.014 -9.765 1.00 0.00 C ATOM 482 OG SER A 32 -5.290 8.178 -9.959 1.00 0.00 O ATOM 0 H SER A 32 -2.432 5.730 -9.398 1.00 0.00 H new ATOM 0 HA SER A 32 -3.416 8.128 -8.285 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.817 6.892 -10.602 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.149 6.135 -9.751 1.00 0.00 H new ATOM 0 HG SER A 32 -5.783 8.103 -10.802 1.00 0.00 H new ATOM 488 N MET A 33 -4.769 5.332 -7.165 1.00 0.00 N ATOM 489 CA MET A 33 -5.583 4.770 -6.094 1.00 0.00 C ATOM 490 C MET A 33 -5.273 5.448 -4.763 1.00 0.00 C ATOM 491 O MET A 33 -4.177 5.304 -4.221 1.00 0.00 O ATOM 492 CB MET A 33 -5.345 3.263 -5.979 1.00 0.00 C ATOM 493 CG MET A 33 -6.556 2.493 -5.476 1.00 0.00 C ATOM 494 SD MET A 33 -6.627 0.812 -6.123 1.00 0.00 S ATOM 495 CE MET A 33 -5.806 -0.090 -4.811 1.00 0.00 C ATOM 0 H MET A 33 -4.359 4.639 -7.791 1.00 0.00 H new ATOM 0 HA MET A 33 -6.631 4.947 -6.337 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.057 2.873 -6.955 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.507 3.086 -5.305 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.533 2.458 -4.387 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.464 3.026 -5.759 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.044 -1.150 -4.895 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.728 0.048 -4.894 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.146 0.283 -3.845 1.00 0.00 H new ATOM 505 N THR A 34 -6.246 6.189 -4.241 1.00 0.00 N ATOM 506 CA THR A 34 -6.076 6.891 -2.975 1.00 0.00 C ATOM 507 C THR A 34 -5.827 5.912 -1.833 1.00 0.00 C ATOM 508 O THR A 34 -6.384 4.815 -1.810 1.00 0.00 O ATOM 509 CB THR A 34 -7.310 7.750 -2.639 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.507 6.995 -2.855 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.339 9.011 -3.489 1.00 0.00 C ATOM 0 H THR A 34 -7.160 6.318 -4.676 1.00 0.00 H new ATOM 0 HA THR A 34 -5.209 7.542 -3.088 1.00 0.00 H new ATOM 0 HB THR A 34 -7.249 8.039 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.286 7.548 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.219 9.601 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.441 9.598 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.378 8.738 -4.544 1.00 0.00 H new ATOM 519 N VAL A 35 -4.986 6.316 -0.886 1.00 0.00 N ATOM 520 CA VAL A 35 -4.664 5.475 0.261 1.00 0.00 C ATOM 521 C VAL A 35 -5.914 4.805 0.819 1.00 0.00 C ATOM 522 O VAL A 35 -5.890 3.629 1.180 1.00 0.00 O ATOM 523 CB VAL A 35 -3.988 6.288 1.381 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.774 5.423 2.614 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.670 6.871 0.894 1.00 0.00 C ATOM 0 H VAL A 35 -4.515 7.221 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.972 4.710 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.645 7.113 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.295 6.014 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.736 5.058 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.137 4.576 2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.206 7.442 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.004 6.063 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.854 7.526 0.043 1.00 0.00 H new ATOM 535 N GLN A 36 -7.005 5.561 0.884 1.00 0.00 N ATOM 536 CA GLN A 36 -8.266 5.039 1.399 1.00 0.00 C ATOM 537 C GLN A 36 -8.682 3.781 0.644 1.00 0.00 C ATOM 538 O GLN A 36 -9.071 2.781 1.249 1.00 0.00 O ATOM 539 CB GLN A 36 -9.363 6.099 1.291 1.00 0.00 C ATOM 540 CG GLN A 36 -10.507 5.893 2.271 1.00 0.00 C ATOM 541 CD GLN A 36 -11.664 6.841 2.025 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.660 6.475 1.402 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.538 8.069 2.516 1.00 0.00 N ATOM 0 H GLN A 36 -7.042 6.536 0.587 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.122 4.781 2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.924 7.082 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.760 6.097 0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.863 4.865 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.139 6.031 3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.694 8.330 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.285 8.751 2.382 1.00 0.00 H new ATOM 552 N LYS A 37 -8.599 3.836 -0.681 1.00 0.00 N ATOM 553 CA LYS A 37 -8.966 2.702 -1.519 1.00 0.00 C ATOM 554 C LYS A 37 -8.187 1.454 -1.118 1.00 0.00 C ATOM 555 O LYS A 37 -8.772 0.408 -0.834 1.00 0.00 O ATOM 556 CB LYS A 37 -8.708 3.025 -2.993 1.00 0.00 C ATOM 557 CG LYS A 37 -9.658 4.065 -3.563 1.00 0.00 C ATOM 558 CD LYS A 37 -11.005 3.456 -3.913 1.00 0.00 C ATOM 559 CE LYS A 37 -10.961 2.737 -5.252 1.00 0.00 C ATOM 560 NZ LYS A 37 -12.302 2.228 -5.653 1.00 0.00 N ATOM 0 H LYS A 37 -8.280 4.656 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.029 2.507 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.684 3.381 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.793 2.109 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.798 4.868 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.217 4.513 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.303 2.756 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.762 4.239 -3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.587 3.417 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.259 1.905 -5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.230 1.744 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.648 1.559 -4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.966 3.024 -5.733 1.00 0.00 H new ATOM 574 N VAL A 38 -6.863 1.570 -1.095 1.00 0.00 N ATOM 575 CA VAL A 38 -6.003 0.452 -0.725 1.00 0.00 C ATOM 576 C VAL A 38 -6.422 -0.144 0.614 1.00 0.00 C ATOM 577 O VAL A 38 -6.469 -1.363 0.776 1.00 0.00 O ATOM 578 CB VAL A 38 -4.526 0.882 -0.644 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.649 -0.294 -0.244 1.00 0.00 C ATOM 580 CG2 VAL A 38 -4.070 1.472 -1.970 1.00 0.00 C ATOM 0 H VAL A 38 -6.362 2.427 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.111 -0.302 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.431 1.652 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.609 0.029 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.963 -0.667 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.746 -1.088 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.024 1.770 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.179 0.726 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.680 2.343 -2.209 1.00 0.00 H new ATOM 590 N LYS A 39 -6.726 0.725 1.572 1.00 0.00 N ATOM 591 CA LYS A 39 -7.143 0.286 2.899 1.00 0.00 C ATOM 592 C LYS A 39 -8.526 -0.355 2.850 1.00 0.00 C ATOM 593 O LYS A 39 -8.799 -1.321 3.562 1.00 0.00 O ATOM 594 CB LYS A 39 -7.152 1.468 3.870 1.00 0.00 C ATOM 595 CG LYS A 39 -5.766 1.992 4.203 1.00 0.00 C ATOM 596 CD LYS A 39 -5.835 3.276 5.014 1.00 0.00 C ATOM 597 CE LYS A 39 -4.459 3.696 5.509 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.493 5.028 6.174 1.00 0.00 N ATOM 0 H LYS A 39 -6.691 1.738 1.454 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.428 -0.459 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.743 2.276 3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.648 1.166 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.215 1.236 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.213 2.172 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.262 4.071 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.502 3.135 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.081 2.950 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.764 3.727 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.535 5.431 6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.126 5.663 5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.843 4.921 7.148 1.00 0.00 H new ATOM 612 N GLY A 40 -9.396 0.187 2.003 1.00 0.00 N ATOM 613 CA GLY A 40 -10.740 -0.346 1.876 1.00 0.00 C ATOM 614 C GLY A 40 -10.761 -1.716 1.227 1.00 0.00 C ATOM 615 O GLY A 40 -11.592 -2.559 1.566 1.00 0.00 O ATOM 0 H GLY A 40 -9.194 0.986 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.198 -0.408 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.346 0.342 1.286 1.00 0.00 H new ATOM 619 N LEU A 41 -9.846 -1.939 0.290 1.00 0.00 N ATOM 620 CA LEU A 41 -9.763 -3.216 -0.410 1.00 0.00 C ATOM 621 C LEU A 41 -9.471 -4.353 0.564 1.00 0.00 C ATOM 622 O LEU A 41 -10.016 -5.450 0.435 1.00 0.00 O ATOM 623 CB LEU A 41 -8.678 -3.160 -1.487 1.00 0.00 C ATOM 624 CG LEU A 41 -8.212 -4.507 -2.040 1.00 0.00 C ATOM 625 CD1 LEU A 41 -9.068 -4.922 -3.227 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.744 -4.442 -2.437 1.00 0.00 C ATOM 0 H LEU A 41 -9.151 -1.252 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.726 -3.406 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.048 -2.558 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.813 -2.639 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.324 -5.257 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.721 -5.883 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.108 -5.010 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.989 -4.171 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.430 -5.410 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.608 -3.679 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.142 -4.191 -1.564 1.00 0.00 H new ATOM 638 N LEU A 42 -8.611 -4.083 1.539 1.00 0.00 N ATOM 639 CA LEU A 42 -8.248 -5.083 2.537 1.00 0.00 C ATOM 640 C LEU A 42 -9.202 -5.037 3.726 1.00 0.00 C ATOM 641 O LEU A 42 -9.525 -6.068 4.316 1.00 0.00 O ATOM 642 CB LEU A 42 -6.811 -4.859 3.013 1.00 0.00 C ATOM 643 CG LEU A 42 -5.745 -4.786 1.919 1.00 0.00 C ATOM 644 CD1 LEU A 42 -4.422 -4.308 2.496 1.00 0.00 C ATOM 645 CD2 LEU A 42 -5.578 -6.140 1.246 1.00 0.00 C ATOM 0 H LEU A 42 -8.152 -3.180 1.660 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.322 -6.067 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.780 -3.932 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.546 -5.665 3.697 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.071 -4.067 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.675 -4.262 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.552 -3.317 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.090 -5.002 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.816 -6.069 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.274 -6.880 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.524 -6.443 0.798 1.00 0.00 H new ATOM 657 N SER A 43 -9.653 -3.835 4.070 1.00 0.00 N ATOM 658 CA SER A 43 -10.571 -3.655 5.189 1.00 0.00 C ATOM 659 C SER A 43 -11.599 -4.780 5.236 1.00 0.00 C ATOM 660 O SER A 43 -11.954 -5.267 6.310 1.00 0.00 O ATOM 661 CB SER A 43 -11.281 -2.304 5.081 1.00 0.00 C ATOM 662 OG SER A 43 -12.420 -2.258 5.922 1.00 0.00 O ATOM 0 H SER A 43 -9.398 -2.972 3.590 1.00 0.00 H new ATOM 0 HA SER A 43 -9.990 -3.680 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.592 -1.505 5.353 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.581 -2.129 4.048 1.00 0.00 H new ATOM 0 HG SER A 43 -12.135 -2.148 6.853 1.00 0.00 H new ATOM 668 N ARG A 44 -12.073 -5.189 4.064 1.00 0.00 N ATOM 669 CA ARG A 44 -13.062 -6.257 3.970 1.00 0.00 C ATOM 670 C ARG A 44 -12.433 -7.610 4.291 1.00 0.00 C ATOM 671 O ARG A 44 -13.056 -8.461 4.926 1.00 0.00 O ATOM 672 CB ARG A 44 -13.678 -6.288 2.570 1.00 0.00 C ATOM 673 CG ARG A 44 -14.501 -5.053 2.239 1.00 0.00 C ATOM 674 CD ARG A 44 -15.928 -5.182 2.747 1.00 0.00 C ATOM 675 NE ARG A 44 -16.660 -6.243 2.059 1.00 0.00 N ATOM 676 CZ ARG A 44 -17.976 -6.404 2.147 1.00 0.00 C ATOM 677 NH1 ARG A 44 -18.700 -5.578 2.890 1.00 0.00 N ATOM 678 NH2 ARG A 44 -18.569 -7.393 1.492 1.00 0.00 N ATOM 0 H ARG A 44 -11.789 -4.797 3.166 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.846 -6.058 4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.881 -6.391 1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.311 -7.171 2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.034 -4.174 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.510 -4.899 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.915 -5.386 3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.449 -4.234 2.610 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.132 -6.896 1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.247 -4.817 3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.710 -5.704 2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.015 -8.031 0.920 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.579 -7.516 1.560 1.00 0.00 H new ATOM 692 N LEU A 45 -11.196 -7.802 3.846 1.00 0.00 N ATOM 693 CA LEU A 45 -10.483 -9.051 4.085 1.00 0.00 C ATOM 694 C LEU A 45 -10.019 -9.145 5.536 1.00 0.00 C ATOM 695 O LEU A 45 -10.368 -10.085 6.251 1.00 0.00 O ATOM 696 CB LEU A 45 -9.281 -9.163 3.145 1.00 0.00 C ATOM 697 CG LEU A 45 -8.241 -10.224 3.509 1.00 0.00 C ATOM 698 CD1 LEU A 45 -8.893 -11.593 3.625 1.00 0.00 C ATOM 699 CD2 LEU A 45 -7.122 -10.250 2.477 1.00 0.00 C ATOM 0 H LEU A 45 -10.666 -7.108 3.318 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.169 -9.875 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.649 -9.373 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.784 -8.194 3.106 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.810 -9.966 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.138 -12.335 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.658 -11.567 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.351 -11.860 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.391 -11.011 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.537 -10.483 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.636 -9.275 2.443 1.00 0.00 H new ATOM 711 N LEU A 46 -9.232 -8.164 5.964 1.00 0.00 N ATOM 712 CA LEU A 46 -8.722 -8.133 7.330 1.00 0.00 C ATOM 713 C LEU A 46 -9.817 -7.730 8.312 1.00 0.00 C ATOM 714 O LEU A 46 -9.567 -7.567 9.506 1.00 0.00 O ATOM 715 CB LEU A 46 -7.545 -7.162 7.435 1.00 0.00 C ATOM 716 CG LEU A 46 -6.286 -7.547 6.657 1.00 0.00 C ATOM 717 CD1 LEU A 46 -5.381 -6.338 6.473 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.542 -8.669 7.368 1.00 0.00 C ATOM 0 H LEU A 46 -8.933 -7.380 5.385 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.381 -9.136 7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.876 -6.183 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.280 -7.056 8.487 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.586 -7.904 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.490 -6.631 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.915 -5.565 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.088 -5.951 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.649 -8.930 6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.254 -8.339 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.190 -9.542 7.447 1.00 0.00 H new ATOM 730 N LYS A 47 -11.034 -7.572 7.801 1.00 0.00 N ATOM 731 CA LYS A 47 -12.170 -7.191 8.631 1.00 0.00 C ATOM 732 C LYS A 47 -11.823 -5.995 9.512 1.00 0.00 C ATOM 733 O LYS A 47 -12.420 -5.797 10.570 1.00 0.00 O ATOM 734 CB LYS A 47 -12.608 -8.370 9.503 1.00 0.00 C ATOM 735 CG LYS A 47 -12.436 -9.721 8.831 1.00 0.00 C ATOM 736 CD LYS A 47 -13.255 -9.816 7.554 1.00 0.00 C ATOM 737 CE LYS A 47 -14.681 -10.262 7.839 1.00 0.00 C ATOM 738 NZ LYS A 47 -15.452 -10.488 6.585 1.00 0.00 N ATOM 0 H LYS A 47 -11.258 -7.702 6.815 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.991 -6.909 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.034 -8.359 10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.655 -8.240 9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.383 -9.883 8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.738 -10.511 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.268 -8.846 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.782 -10.520 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.664 -11.181 8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.184 -9.507 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.418 -10.791 6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.490 -9.605 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.987 -11.226 6.020 1.00 0.00 H new ATOM 752 N VAL A 48 -10.856 -5.198 9.067 1.00 0.00 N ATOM 753 CA VAL A 48 -10.433 -4.020 9.813 1.00 0.00 C ATOM 754 C VAL A 48 -10.897 -2.739 9.128 1.00 0.00 C ATOM 755 O VAL A 48 -10.843 -2.605 7.906 1.00 0.00 O ATOM 756 CB VAL A 48 -8.901 -3.977 9.972 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.475 -2.711 10.699 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.407 -5.215 10.705 1.00 0.00 C ATOM 0 H VAL A 48 -10.351 -5.348 8.193 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.892 -4.088 10.799 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.450 -3.966 8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.390 -2.698 10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.796 -1.839 10.129 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.934 -2.687 11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.323 -5.168 10.809 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.864 -5.259 11.693 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.679 -6.106 10.139 1.00 0.00 H new ATOM 768 N PRO A 49 -11.365 -1.774 9.934 1.00 0.00 N ATOM 769 CA PRO A 49 -11.848 -0.486 9.428 1.00 0.00 C ATOM 770 C PRO A 49 -10.719 0.382 8.881 1.00 0.00 C ATOM 771 O PRO A 49 -9.638 0.453 9.465 1.00 0.00 O ATOM 772 CB PRO A 49 -12.475 0.168 10.662 1.00 0.00 C ATOM 773 CG PRO A 49 -11.773 -0.456 11.818 1.00 0.00 C ATOM 774 CD PRO A 49 -11.458 -1.866 11.400 1.00 0.00 C ATOM 0 HA PRO A 49 -12.541 -0.609 8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.336 1.249 10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.549 -0.015 10.705 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.863 0.091 12.063 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.401 -0.444 12.709 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.525 -2.217 11.841 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.238 -2.561 11.710 1.00 0.00 H new ATOM 782 N VAL A 50 -10.978 1.041 7.756 1.00 0.00 N ATOM 783 CA VAL A 50 -9.984 1.906 7.130 1.00 0.00 C ATOM 784 C VAL A 50 -9.479 2.959 8.110 1.00 0.00 C ATOM 785 O VAL A 50 -8.339 3.416 8.013 1.00 0.00 O ATOM 786 CB VAL A 50 -10.556 2.610 5.886 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.639 3.739 5.442 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.768 1.610 4.759 1.00 0.00 C ATOM 0 H VAL A 50 -11.868 0.993 7.259 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.154 1.268 6.827 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.523 3.041 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.060 4.225 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.543 4.467 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.656 3.335 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.173 2.124 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.816 1.148 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.468 0.840 5.083 1.00 0.00 H new ATOM 798 N SER A 51 -10.333 3.341 9.053 1.00 0.00 N ATOM 799 CA SER A 51 -9.975 4.344 10.049 1.00 0.00 C ATOM 800 C SER A 51 -8.819 3.857 10.918 1.00 0.00 C ATOM 801 O SER A 51 -7.895 4.612 11.218 1.00 0.00 O ATOM 802 CB SER A 51 -11.183 4.676 10.927 1.00 0.00 C ATOM 803 OG SER A 51 -10.914 5.786 11.766 1.00 0.00 O ATOM 0 H SER A 51 -11.279 2.971 9.149 1.00 0.00 H new ATOM 0 HA SER A 51 -9.658 5.245 9.524 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.046 4.893 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.443 3.810 11.536 1.00 0.00 H new ATOM 0 HG SER A 51 -11.702 5.979 12.316 1.00 0.00 H new ATOM 809 N GLU A 52 -8.880 2.591 11.318 1.00 0.00 N ATOM 810 CA GLU A 52 -7.839 2.004 12.154 1.00 0.00 C ATOM 811 C GLU A 52 -6.641 1.576 11.310 1.00 0.00 C ATOM 812 O GLU A 52 -5.507 1.548 11.790 1.00 0.00 O ATOM 813 CB GLU A 52 -8.389 0.802 12.924 1.00 0.00 C ATOM 814 CG GLU A 52 -9.395 1.177 14.000 1.00 0.00 C ATOM 815 CD GLU A 52 -8.952 2.373 14.820 1.00 0.00 C ATOM 816 OE1 GLU A 52 -9.006 3.506 14.296 1.00 0.00 O ATOM 817 OE2 GLU A 52 -8.551 2.177 15.986 1.00 0.00 O ATOM 0 H GLU A 52 -9.638 1.953 11.077 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.510 2.762 12.865 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.861 0.116 12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.559 0.266 13.385 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.356 1.396 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.549 0.324 14.661 1.00 0.00 H new ATOM 824 N LEU A 53 -6.902 1.242 10.051 1.00 0.00 N ATOM 825 CA LEU A 53 -5.846 0.815 9.139 1.00 0.00 C ATOM 826 C LEU A 53 -4.887 1.963 8.839 1.00 0.00 C ATOM 827 O LEU A 53 -5.302 3.115 8.712 1.00 0.00 O ATOM 828 CB LEU A 53 -6.452 0.289 7.837 1.00 0.00 C ATOM 829 CG LEU A 53 -7.103 -1.093 7.909 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.886 -1.382 6.638 1.00 0.00 C ATOM 831 CD2 LEU A 53 -6.050 -2.166 8.144 1.00 0.00 C ATOM 0 H LEU A 53 -7.835 1.258 9.638 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.285 0.015 9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.200 1.003 7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.668 0.260 7.080 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.798 -1.103 8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.342 -2.370 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.666 -0.631 6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.213 -1.353 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.531 -3.143 8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.331 -2.156 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.533 -1.969 9.083 1.00 0.00 H new ATOM 843 N LEU A 54 -3.604 1.640 8.725 1.00 0.00 N ATOM 844 CA LEU A 54 -2.585 2.643 8.438 1.00 0.00 C ATOM 845 C LEU A 54 -1.528 2.090 7.487 1.00 0.00 C ATOM 846 O LEU A 54 -0.802 1.154 7.826 1.00 0.00 O ATOM 847 CB LEU A 54 -1.924 3.114 9.735 1.00 0.00 C ATOM 848 CG LEU A 54 -2.799 3.951 10.669 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.287 3.866 12.098 1.00 0.00 C ATOM 850 CD2 LEU A 54 -2.846 5.398 10.202 1.00 0.00 C ATOM 0 H LEU A 54 -3.244 0.691 8.827 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.072 3.491 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.578 2.237 10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.040 3.698 9.478 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.812 3.550 10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.922 4.468 12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.307 2.828 12.431 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.264 4.241 12.141 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.473 5.978 10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.838 5.812 10.197 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.261 5.442 9.195 1.00 0.00 H new ATOM 862 N LEU A 55 -1.445 2.675 6.298 1.00 0.00 N ATOM 863 CA LEU A 55 -0.475 2.243 5.298 1.00 0.00 C ATOM 864 C LEU A 55 0.829 3.023 5.431 1.00 0.00 C ATOM 865 O LEU A 55 0.826 4.253 5.479 1.00 0.00 O ATOM 866 CB LEU A 55 -1.049 2.422 3.891 1.00 0.00 C ATOM 867 CG LEU A 55 -1.729 1.196 3.282 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.713 0.094 3.025 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.841 0.696 4.193 1.00 0.00 C ATOM 0 H LEU A 55 -2.038 3.450 6.002 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.263 1.187 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.771 3.238 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.241 2.732 3.228 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.170 1.485 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.216 -0.771 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.049 0.455 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.243 -0.194 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.314 -0.177 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.423 0.424 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.584 1.483 4.326 1.00 0.00 H new ATOM 881 N SER A 56 1.942 2.299 5.489 1.00 0.00 N ATOM 882 CA SER A 56 3.254 2.922 5.619 1.00 0.00 C ATOM 883 C SER A 56 4.241 2.323 4.621 1.00 0.00 C ATOM 884 O SER A 56 4.516 1.123 4.648 1.00 0.00 O ATOM 885 CB SER A 56 3.784 2.753 7.044 1.00 0.00 C ATOM 886 OG SER A 56 3.481 1.465 7.551 1.00 0.00 O ATOM 0 H SER A 56 1.961 1.280 5.448 1.00 0.00 H new ATOM 0 HA SER A 56 3.147 3.985 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.863 2.907 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.347 3.514 7.691 1.00 0.00 H new ATOM 0 HG SER A 56 3.832 1.381 8.462 1.00 0.00 H new ATOM 892 N TYR A 57 4.771 3.168 3.743 1.00 0.00 N ATOM 893 CA TYR A 57 5.725 2.723 2.735 1.00 0.00 C ATOM 894 C TYR A 57 7.156 3.035 3.164 1.00 0.00 C ATOM 895 O TYR A 57 7.410 4.039 3.828 1.00 0.00 O ATOM 896 CB TYR A 57 5.427 3.389 1.391 1.00 0.00 C ATOM 897 CG TYR A 57 6.127 4.716 1.205 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.704 5.849 1.889 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.210 4.838 0.343 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.340 7.064 1.722 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.853 6.048 0.171 1.00 0.00 C ATOM 902 CZ TYR A 57 7.414 7.158 0.862 1.00 0.00 C ATOM 903 OH TYR A 57 8.051 8.366 0.691 1.00 0.00 O ATOM 0 H TYR A 57 4.556 4.164 3.709 1.00 0.00 H new ATOM 0 HA TYR A 57 5.624 1.643 2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.724 2.715 0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.351 3.539 1.300 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.863 5.779 2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.555 3.972 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.998 7.935 2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.695 6.125 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 57 7.412 9.028 0.355 1.00 0.00 H new ATOM 913 N GLU A 58 8.085 2.166 2.779 1.00 0.00 N ATOM 914 CA GLU A 58 9.490 2.349 3.124 1.00 0.00 C ATOM 915 C GLU A 58 10.342 2.512 1.868 1.00 0.00 C ATOM 916 O GLU A 58 10.445 1.596 1.052 1.00 0.00 O ATOM 917 CB GLU A 58 9.996 1.160 3.945 1.00 0.00 C ATOM 918 CG GLU A 58 11.119 1.517 4.903 1.00 0.00 C ATOM 919 CD GLU A 58 11.815 0.293 5.468 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.682 -0.271 4.768 1.00 0.00 O ATOM 921 OE2 GLU A 58 11.492 -0.101 6.608 1.00 0.00 O ATOM 0 H GLU A 58 7.891 1.329 2.229 1.00 0.00 H new ATOM 0 HA GLU A 58 9.575 3.257 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.165 0.741 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.343 0.381 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.849 2.139 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.717 2.113 5.723 1.00 0.00 H new ATOM 928 N SER A 59 10.949 3.685 1.720 1.00 0.00 N ATOM 929 CA SER A 59 11.788 3.971 0.562 1.00 0.00 C ATOM 930 C SER A 59 12.924 2.958 0.451 1.00 0.00 C ATOM 931 O SER A 59 13.088 2.096 1.313 1.00 0.00 O ATOM 932 CB SER A 59 12.360 5.387 0.657 1.00 0.00 C ATOM 933 OG SER A 59 12.561 5.943 -0.630 1.00 0.00 O ATOM 0 H SER A 59 10.876 4.453 2.387 1.00 0.00 H new ATOM 0 HA SER A 59 11.169 3.896 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.680 6.020 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.306 5.365 1.199 1.00 0.00 H new ATOM 0 HG SER A 59 13.013 6.808 -0.546 1.00 0.00 H new ATOM 939 N SER A 60 13.706 3.071 -0.618 1.00 0.00 N ATOM 940 CA SER A 60 14.824 2.163 -0.846 1.00 0.00 C ATOM 941 C SER A 60 16.142 2.811 -0.432 1.00 0.00 C ATOM 942 O SER A 60 17.117 2.124 -0.128 1.00 0.00 O ATOM 943 CB SER A 60 14.884 1.754 -2.319 1.00 0.00 C ATOM 944 OG SER A 60 14.935 2.891 -3.163 1.00 0.00 O ATOM 0 H SER A 60 13.586 3.782 -1.339 1.00 0.00 H new ATOM 0 HA SER A 60 14.669 1.273 -0.236 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.761 1.130 -2.491 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.011 1.151 -2.568 1.00 0.00 H new ATOM 0 HG SER A 60 14.975 2.602 -4.099 1.00 0.00 H new ATOM 950 N LYS A 61 16.164 4.140 -0.423 1.00 0.00 N ATOM 951 CA LYS A 61 17.360 4.884 -0.047 1.00 0.00 C ATOM 952 C LYS A 61 17.381 5.155 1.454 1.00 0.00 C ATOM 953 O LYS A 61 18.425 5.049 2.099 1.00 0.00 O ATOM 954 CB LYS A 61 17.427 6.205 -0.816 1.00 0.00 C ATOM 955 CG LYS A 61 16.236 7.114 -0.568 1.00 0.00 C ATOM 956 CD LYS A 61 16.010 8.066 -1.731 1.00 0.00 C ATOM 957 CE LYS A 61 15.032 7.487 -2.742 1.00 0.00 C ATOM 958 NZ LYS A 61 15.729 6.714 -3.807 1.00 0.00 N ATOM 0 H LYS A 61 15.366 4.724 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 61 18.230 4.279 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.340 6.732 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 61 17.495 5.992 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.342 6.510 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.398 7.686 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.628 9.016 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.961 8.276 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.321 6.839 -2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.458 8.295 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.089 6.583 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.575 7.234 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.011 5.785 -3.434 1.00 0.00 H new ATOM 972 N MET A 62 16.223 5.504 2.005 1.00 0.00 N ATOM 973 CA MET A 62 16.110 5.788 3.431 1.00 0.00 C ATOM 974 C MET A 62 15.371 4.664 4.151 1.00 0.00 C ATOM 975 O MET A 62 14.231 4.820 4.589 1.00 0.00 O ATOM 976 CB MET A 62 15.383 7.116 3.652 1.00 0.00 C ATOM 977 CG MET A 62 14.003 7.166 3.017 1.00 0.00 C ATOM 978 SD MET A 62 14.031 7.844 1.347 1.00 0.00 S ATOM 979 CE MET A 62 13.427 9.504 1.644 1.00 0.00 C ATOM 0 H MET A 62 15.350 5.597 1.486 1.00 0.00 H new ATOM 0 HA MET A 62 17.116 5.860 3.843 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.288 7.295 4.723 1.00 0.00 H new ATOM 0 HB3 MET A 62 15.990 7.925 3.246 1.00 0.00 H new ATOM 0 HG2 MET A 62 13.583 6.160 2.990 1.00 0.00 H new ATOM 0 HG3 MET A 62 13.343 7.770 3.639 1.00 0.00 H new ATOM 0 HE1 MET A 62 13.388 10.051 0.702 1.00 0.00 H new ATOM 0 HE2 MET A 62 12.428 9.456 2.078 1.00 0.00 H new ATOM 0 HE3 MET A 62 14.097 10.017 2.333 1.00 0.00 H new ATOM 989 N PRO A 63 16.034 3.505 4.278 1.00 0.00 N ATOM 990 CA PRO A 63 15.459 2.334 4.946 1.00 0.00 C ATOM 991 C PRO A 63 15.322 2.533 6.451 1.00 0.00 C ATOM 992 O PRO A 63 16.143 3.204 7.076 1.00 0.00 O ATOM 993 CB PRO A 63 16.468 1.223 4.643 1.00 0.00 C ATOM 994 CG PRO A 63 17.757 1.933 4.412 1.00 0.00 C ATOM 995 CD PRO A 63 17.396 3.250 3.781 1.00 0.00 C ATOM 0 HA PRO A 63 14.449 2.120 4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.546 0.522 5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.171 0.647 3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.293 2.083 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.410 1.354 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.086 4.040 4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.423 3.195 2.693 1.00 0.00 H new ATOM 1003 N GLY A 64 14.279 1.945 7.029 1.00 0.00 N ATOM 1004 CA GLY A 64 14.055 2.070 8.458 1.00 0.00 C ATOM 1005 C GLY A 64 13.140 3.229 8.801 1.00 0.00 C ATOM 1006 O GLY A 64 12.548 3.263 9.880 1.00 0.00 O ATOM 0 H GLY A 64 13.585 1.385 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.622 1.144 8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.012 2.205 8.962 1.00 0.00 H new ATOM 1010 N ARG A 65 13.024 4.183 7.883 1.00 0.00 N ATOM 1011 CA ARG A 65 12.177 5.350 8.095 1.00 0.00 C ATOM 1012 C ARG A 65 10.883 5.235 7.295 1.00 0.00 C ATOM 1013 O ARG A 65 10.772 5.776 6.196 1.00 0.00 O ATOM 1014 CB ARG A 65 12.922 6.626 7.700 1.00 0.00 C ATOM 1015 CG ARG A 65 12.374 7.881 8.360 1.00 0.00 C ATOM 1016 CD ARG A 65 13.063 9.132 7.837 1.00 0.00 C ATOM 1017 NE ARG A 65 14.269 9.450 8.596 1.00 0.00 N ATOM 1018 CZ ARG A 65 14.816 10.660 8.634 1.00 0.00 C ATOM 1019 NH1 ARG A 65 14.266 11.661 7.959 1.00 0.00 N ATOM 1020 NH2 ARG A 65 15.914 10.872 9.348 1.00 0.00 N ATOM 0 H ARG A 65 13.507 4.170 6.984 1.00 0.00 H new ATOM 0 HA ARG A 65 11.926 5.398 9.155 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.974 6.518 7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.874 6.744 6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.302 7.951 8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.509 7.814 9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.322 8.992 6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.372 9.974 7.885 1.00 0.00 H new ATOM 0 HE ARG A 65 14.716 8.702 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.421 11.502 7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.688 12.589 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.340 10.105 9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 65 16.333 11.802 9.376 1.00 0.00 H new ATOM 1034 N GLU A 66 9.907 4.527 7.856 1.00 0.00 N ATOM 1035 CA GLU A 66 8.622 4.341 7.194 1.00 0.00 C ATOM 1036 C GLU A 66 7.744 5.578 7.353 1.00 0.00 C ATOM 1037 O GLU A 66 7.675 6.169 8.431 1.00 0.00 O ATOM 1038 CB GLU A 66 7.903 3.115 7.762 1.00 0.00 C ATOM 1039 CG GLU A 66 7.441 3.293 9.199 1.00 0.00 C ATOM 1040 CD GLU A 66 8.582 3.203 10.194 1.00 0.00 C ATOM 1041 OE1 GLU A 66 8.927 2.074 10.600 1.00 0.00 O ATOM 1042 OE2 GLU A 66 9.130 4.262 10.566 1.00 0.00 O ATOM 0 H GLU A 66 9.982 4.074 8.767 1.00 0.00 H new ATOM 0 HA GLU A 66 8.809 4.184 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.039 2.888 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.570 2.255 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.950 4.261 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.697 2.532 9.435 1.00 0.00 H new ATOM 1049 N ILE A 67 7.075 5.965 6.271 1.00 0.00 N ATOM 1050 CA ILE A 67 6.201 7.131 6.290 1.00 0.00 C ATOM 1051 C ILE A 67 4.744 6.724 6.487 1.00 0.00 C ATOM 1052 O ILE A 67 4.093 6.248 5.558 1.00 0.00 O ATOM 1053 CB ILE A 67 6.323 7.947 4.990 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.757 8.451 4.812 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.344 9.112 5.002 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.643 7.494 4.046 1.00 0.00 C ATOM 0 H ILE A 67 7.122 5.488 5.371 1.00 0.00 H new ATOM 0 HA ILE A 67 6.519 7.750 7.129 1.00 0.00 H new ATOM 0 HB ILE A 67 6.077 7.300 4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.735 9.409 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.195 8.632 5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.442 9.679 4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.326 8.731 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.561 9.761 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.644 7.916 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.695 6.543 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.229 7.332 3.051 1.00 0.00 H new ATOM 1068 N GLU A 68 4.241 6.916 7.702 1.00 0.00 N ATOM 1069 CA GLU A 68 2.860 6.569 8.019 1.00 0.00 C ATOM 1070 C GLU A 68 1.886 7.471 7.268 1.00 0.00 C ATOM 1071 O GLU A 68 1.782 8.665 7.553 1.00 0.00 O ATOM 1072 CB GLU A 68 2.617 6.679 9.526 1.00 0.00 C ATOM 1073 CG GLU A 68 2.995 8.032 10.106 1.00 0.00 C ATOM 1074 CD GLU A 68 2.857 8.078 11.615 1.00 0.00 C ATOM 1075 OE1 GLU A 68 3.277 7.107 12.279 1.00 0.00 O ATOM 1076 OE2 GLU A 68 2.329 9.085 12.133 1.00 0.00 O ATOM 0 H GLU A 68 4.768 7.309 8.482 1.00 0.00 H new ATOM 0 HA GLU A 68 2.689 5.539 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.564 6.487 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.188 5.902 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.024 8.266 9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.363 8.802 9.663 1.00 0.00 H new ATOM 1083 N LEU A 69 1.174 6.893 6.307 1.00 0.00 N ATOM 1084 CA LEU A 69 0.208 7.644 5.513 1.00 0.00 C ATOM 1085 C LEU A 69 -1.075 7.885 6.302 1.00 0.00 C ATOM 1086 O LEU A 69 -1.832 6.953 6.572 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.109 6.896 4.217 1.00 0.00 C ATOM 1088 CG LEU A 69 1.085 6.272 3.493 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.619 5.189 2.532 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.877 7.340 2.754 1.00 0.00 C ATOM 0 H LEU A 69 1.247 5.906 6.059 1.00 0.00 H new ATOM 0 HA LEU A 69 0.649 8.610 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.825 6.106 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.602 7.587 3.533 1.00 0.00 H new ATOM 0 HG LEU A 69 1.738 5.813 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.482 4.756 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.096 4.411 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.055 5.623 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.723 6.878 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.234 7.828 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.242 8.080 3.466 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.313 9.141 6.665 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.506 9.504 7.422 1.00 0.00 C ATOM 1104 C GLU A 70 -3.531 10.193 6.525 1.00 0.00 C ATOM 1105 O GLU A 70 -4.719 10.233 6.840 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.137 10.420 8.591 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.330 11.639 8.177 1.00 0.00 C ATOM 1108 CD GLU A 70 -1.145 12.627 9.312 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.818 12.189 10.435 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -1.326 13.841 9.077 1.00 0.00 O ATOM 0 H GLU A 70 -0.696 9.924 6.448 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.949 8.588 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.051 10.750 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.567 9.849 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.353 11.318 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.829 12.136 7.345 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.060 10.735 5.406 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.934 11.424 4.464 1.00 0.00 C ATOM 1119 C ASN A 71 -4.580 10.435 3.499 1.00 0.00 C ATOM 1120 O ASN A 71 -3.982 10.053 2.492 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.146 12.477 3.681 1.00 0.00 C ATOM 1122 CG ASN A 71 -4.004 13.661 3.280 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -5.066 13.394 2.528 1.00 0.00 O flip ATOM 1124 ND2 ASN A 71 -3.715 14.802 3.641 1.00 0.00 N flip ATOM 0 H ASN A 71 -2.078 10.710 5.130 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.722 11.918 5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.310 12.826 4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.722 12.019 2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.889 14.960 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.301 15.589 3.363 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.804 10.025 3.812 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.533 9.082 2.972 1.00 0.00 C ATOM 1133 C ASP A 72 -6.933 9.729 1.650 1.00 0.00 C ATOM 1134 O ASP A 72 -7.144 9.042 0.649 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.777 8.572 3.702 1.00 0.00 C ATOM 1136 CG ASP A 72 -8.338 9.593 4.672 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -8.630 10.727 4.237 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -8.485 9.259 5.866 1.00 0.00 O ATOM 0 H ASP A 72 -6.312 10.331 4.642 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.875 8.239 2.759 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.542 8.311 2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.528 7.659 4.243 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.038 11.053 1.653 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.414 11.793 0.453 1.00 0.00 C ATOM 1145 C LEU A 73 -6.184 12.145 -0.378 1.00 0.00 C ATOM 1146 O LEU A 73 -6.119 13.212 -0.987 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.168 13.069 0.833 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.532 12.871 1.495 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.131 14.210 1.895 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.473 12.120 0.563 1.00 0.00 C ATOM 0 H LEU A 73 -6.868 11.636 2.472 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.065 11.157 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.540 13.651 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.307 13.667 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.394 12.275 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.101 14.049 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.466 14.710 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.256 14.832 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.439 11.988 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.605 12.690 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.049 11.144 0.327 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.212 11.238 -0.399 1.00 0.00 N ATOM 1163 CA GLN A 74 -3.985 11.452 -1.158 1.00 0.00 C ATOM 1164 C GLN A 74 -3.482 10.144 -1.759 1.00 0.00 C ATOM 1165 O GLN A 74 -3.468 9.098 -1.109 1.00 0.00 O ATOM 1166 CB GLN A 74 -2.907 12.063 -0.261 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.141 13.531 0.059 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.073 14.414 -1.171 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.341 14.124 -2.118 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.836 15.501 -1.164 1.00 0.00 N ATOM 0 H GLN A 74 -5.250 10.349 0.100 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.206 12.143 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.860 11.500 0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.938 11.956 -0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.117 13.645 0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.397 13.864 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.428 15.703 -0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.830 16.133 -1.964 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.058 10.201 -3.030 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.546 9.030 -3.748 1.00 0.00 C ATOM 1181 C PRO A 75 -1.193 8.570 -3.215 1.00 0.00 C ATOM 1182 O PRO A 75 -0.536 9.286 -2.458 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.411 9.527 -5.189 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.240 11.002 -5.066 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.046 11.414 -3.865 1.00 0.00 C ATOM 0 HA PRO A 75 -3.203 8.167 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.556 9.069 -5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.294 9.278 -5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.190 11.264 -4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.589 11.512 -5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.590 12.256 -3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.054 11.720 -4.143 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.782 7.371 -3.613 1.00 0.00 N ATOM 1194 CA LEU A 76 0.494 6.815 -3.176 1.00 0.00 C ATOM 1195 C LEU A 76 1.660 7.626 -3.730 1.00 0.00 C ATOM 1196 O LEU A 76 2.674 7.812 -3.057 1.00 0.00 O ATOM 1197 CB LEU A 76 0.615 5.356 -3.620 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.273 4.353 -2.882 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.183 4.197 -1.440 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.730 4.789 -2.939 1.00 0.00 C ATOM 0 H LEU A 76 -1.314 6.765 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 76 0.529 6.861 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.384 5.301 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.653 5.046 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.184 3.385 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.460 3.480 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.212 3.839 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.124 5.160 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.348 4.064 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.836 5.767 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.052 4.848 -3.979 1.00 0.00 H new ATOM 1212 N GLN A 77 1.508 8.108 -4.960 1.00 0.00 N ATOM 1213 CA GLN A 77 2.548 8.901 -5.603 1.00 0.00 C ATOM 1214 C GLN A 77 2.814 10.185 -4.825 1.00 0.00 C ATOM 1215 O GLN A 77 3.944 10.672 -4.776 1.00 0.00 O ATOM 1216 CB GLN A 77 2.148 9.236 -7.041 1.00 0.00 C ATOM 1217 CG GLN A 77 2.779 10.515 -7.566 1.00 0.00 C ATOM 1218 CD GLN A 77 4.290 10.427 -7.652 1.00 0.00 C ATOM 1219 OE1 GLN A 77 4.977 11.304 -6.929 1.00 0.00 O flip ATOM 1220 NE2 GLN A 77 4.835 9.581 -8.362 1.00 0.00 N flip ATOM 0 H GLN A 77 0.675 7.963 -5.530 1.00 0.00 H new ATOM 0 HA GLN A 77 3.464 8.310 -5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.432 8.408 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.063 9.327 -7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.375 10.736 -8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.504 11.345 -6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.269 8.926 -8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.853 9.535 -8.411 1.00 0.00 H new ATOM 1229 N PHE A 78 1.765 10.731 -4.217 1.00 0.00 N ATOM 1230 CA PHE A 78 1.885 11.960 -3.442 1.00 0.00 C ATOM 1231 C PHE A 78 2.899 11.795 -2.313 1.00 0.00 C ATOM 1232 O PHE A 78 3.485 12.770 -1.844 1.00 0.00 O ATOM 1233 CB PHE A 78 0.524 12.359 -2.866 1.00 0.00 C ATOM 1234 CG PHE A 78 0.621 13.276 -1.680 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.897 14.623 -1.850 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.436 12.791 -0.396 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.987 15.469 -0.761 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.525 13.631 0.698 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.799 14.972 0.515 1.00 0.00 C ATOM 0 H PHE A 78 0.823 10.341 -4.246 1.00 0.00 H new ATOM 0 HA PHE A 78 2.235 12.748 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.063 12.846 -3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.017 11.458 -2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.044 15.016 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.219 11.743 -0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.204 16.517 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.381 13.239 1.694 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.866 15.631 1.368 1.00 0.00 H new ATOM 1249 N TYR A 79 3.099 10.554 -1.883 1.00 0.00 N ATOM 1250 CA TYR A 79 4.039 10.260 -0.808 1.00 0.00 C ATOM 1251 C TYR A 79 5.389 9.824 -1.369 1.00 0.00 C ATOM 1252 O TYR A 79 6.153 9.124 -0.705 1.00 0.00 O ATOM 1253 CB TYR A 79 3.477 9.169 0.105 1.00 0.00 C ATOM 1254 CG TYR A 79 2.333 9.638 0.976 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.568 10.185 2.231 1.00 0.00 C ATOM 1256 CD2 TYR A 79 1.017 9.534 0.542 1.00 0.00 C ATOM 1257 CE1 TYR A 79 1.526 10.614 3.030 1.00 0.00 C ATOM 1258 CE2 TYR A 79 -0.032 9.961 1.334 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.228 10.500 2.577 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.813 10.927 3.369 1.00 0.00 O ATOM 0 H TYR A 79 2.623 9.736 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 79 4.184 11.171 -0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.137 8.334 -0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.277 8.792 0.742 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.583 10.276 2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.810 9.112 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.726 11.036 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.049 9.873 0.982 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.511 11.667 3.936 1.00 0.00 H new ATOM 1270 N SER A 80 5.676 10.245 -2.597 1.00 0.00 N ATOM 1271 CA SER A 80 6.932 9.896 -3.250 1.00 0.00 C ATOM 1272 C SER A 80 7.110 8.382 -3.312 1.00 0.00 C ATOM 1273 O SER A 80 8.224 7.871 -3.196 1.00 0.00 O ATOM 1274 CB SER A 80 8.110 10.530 -2.509 1.00 0.00 C ATOM 1275 OG SER A 80 8.128 11.936 -2.687 1.00 0.00 O ATOM 0 H SER A 80 5.056 10.828 -3.159 1.00 0.00 H new ATOM 0 HA SER A 80 6.903 10.283 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.044 10.296 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.045 10.102 -2.872 1.00 0.00 H new ATOM 0 HG SER A 80 8.889 12.317 -2.202 1.00 0.00 H new ATOM 1281 N VAL A 81 6.003 7.669 -3.496 1.00 0.00 N ATOM 1282 CA VAL A 81 6.036 6.214 -3.574 1.00 0.00 C ATOM 1283 C VAL A 81 6.133 5.743 -5.021 1.00 0.00 C ATOM 1284 O VAL A 81 5.262 6.038 -5.839 1.00 0.00 O ATOM 1285 CB VAL A 81 4.787 5.588 -2.925 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.812 4.074 -3.067 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.687 5.994 -1.463 1.00 0.00 C ATOM 0 H VAL A 81 5.073 8.076 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 81 6.922 5.888 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 81 3.904 5.962 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.922 3.650 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.831 3.808 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.701 3.677 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.799 5.543 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.573 5.651 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.617 7.079 -1.391 1.00 0.00 H new ATOM 1297 N GLU A 82 7.198 5.010 -5.329 1.00 0.00 N ATOM 1298 CA GLU A 82 7.409 4.499 -6.678 1.00 0.00 C ATOM 1299 C GLU A 82 7.766 3.015 -6.649 1.00 0.00 C ATOM 1300 O GLU A 82 8.175 2.485 -5.617 1.00 0.00 O ATOM 1301 CB GLU A 82 8.517 5.287 -7.379 1.00 0.00 C ATOM 1302 CG GLU A 82 9.860 5.210 -6.672 1.00 0.00 C ATOM 1303 CD GLU A 82 10.828 6.279 -7.140 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.326 6.169 -8.280 1.00 0.00 O ATOM 1305 OE2 GLU A 82 11.089 7.224 -6.366 1.00 0.00 O ATOM 0 H GLU A 82 7.928 4.757 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 82 6.479 4.621 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.630 4.912 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.216 6.332 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.707 5.309 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.300 4.227 -6.842 1.00 0.00 H new ATOM 1312 N ASN A 83 7.606 2.352 -7.789 1.00 0.00 N ATOM 1313 CA ASN A 83 7.910 0.929 -7.895 1.00 0.00 C ATOM 1314 C ASN A 83 9.245 0.608 -7.230 1.00 0.00 C ATOM 1315 O ASN A 83 10.242 1.294 -7.451 1.00 0.00 O ATOM 1316 CB ASN A 83 7.943 0.501 -9.363 1.00 0.00 C ATOM 1317 CG ASN A 83 8.813 1.408 -10.211 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.677 2.117 -9.695 1.00 0.00 O ATOM 1319 ND2 ASN A 83 8.589 1.389 -11.520 1.00 0.00 N ATOM 0 H ASN A 83 7.268 2.777 -8.653 1.00 0.00 H new ATOM 0 HA ASN A 83 7.125 0.376 -7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.314 -0.522 -9.432 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.928 0.500 -9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.144 1.978 -12.141 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.862 0.785 -11.904 1.00 0.00 H new ATOM 1326 N GLY A 84 9.256 -0.443 -6.414 1.00 0.00 N ATOM 1327 CA GLY A 84 10.474 -0.838 -5.730 1.00 0.00 C ATOM 1328 C GLY A 84 10.334 -0.785 -4.222 1.00 0.00 C ATOM 1329 O GLY A 84 10.718 -1.724 -3.523 1.00 0.00 O ATOM 0 H GLY A 84 8.444 -1.027 -6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.745 -1.850 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.289 -0.184 -6.039 1.00 0.00 H new ATOM 1333 N ASP A 85 9.785 0.314 -3.718 1.00 0.00 N ATOM 1334 CA ASP A 85 9.596 0.486 -2.282 1.00 0.00 C ATOM 1335 C ASP A 85 8.808 -0.680 -1.694 1.00 0.00 C ATOM 1336 O ASP A 85 8.456 -1.625 -2.403 1.00 0.00 O ATOM 1337 CB ASP A 85 8.874 1.803 -1.995 1.00 0.00 C ATOM 1338 CG ASP A 85 9.352 2.932 -2.886 1.00 0.00 C ATOM 1339 OD1 ASP A 85 10.572 3.010 -3.141 1.00 0.00 O ATOM 1340 OD2 ASP A 85 8.506 3.738 -3.328 1.00 0.00 O ATOM 0 H ASP A 85 9.463 1.100 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 85 10.579 0.510 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.802 1.664 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.027 2.078 -0.951 1.00 0.00 H new ATOM 1345 N CYS A 86 8.534 -0.608 -0.397 1.00 0.00 N ATOM 1346 CA CYS A 86 7.788 -1.659 0.287 1.00 0.00 C ATOM 1347 C CYS A 86 6.571 -1.084 1.004 1.00 0.00 C ATOM 1348 O CYS A 86 6.591 0.058 1.465 1.00 0.00 O ATOM 1349 CB CYS A 86 8.689 -2.385 1.287 1.00 0.00 C ATOM 1350 SG CYS A 86 9.896 -3.494 0.525 1.00 0.00 S ATOM 0 H CYS A 86 8.817 0.167 0.203 1.00 0.00 H new ATOM 0 HA CYS A 86 7.442 -2.371 -0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.220 -1.644 1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.065 -2.960 1.971 1.00 0.00 H new ATOM 0 HG CYS A 86 10.612 -4.059 1.452 1.00 0.00 H new ATOM 1356 N LEU A 87 5.512 -1.881 1.093 1.00 0.00 N ATOM 1357 CA LEU A 87 4.284 -1.451 1.753 1.00 0.00 C ATOM 1358 C LEU A 87 4.101 -2.171 3.085 1.00 0.00 C ATOM 1359 O LEU A 87 4.247 -3.391 3.169 1.00 0.00 O ATOM 1360 CB LEU A 87 3.078 -1.711 0.849 1.00 0.00 C ATOM 1361 CG LEU A 87 3.011 -0.885 -0.436 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.898 -1.392 -1.340 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.808 0.588 -0.112 1.00 0.00 C ATOM 0 H LEU A 87 5.479 -2.828 0.717 1.00 0.00 H new ATOM 0 HA LEU A 87 4.360 -0.381 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.073 -2.767 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.171 -1.525 1.424 1.00 0.00 H new ATOM 0 HG LEU A 87 3.958 -0.994 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.866 -0.792 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.086 -2.434 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.943 -1.314 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.763 1.161 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.876 0.714 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.640 0.945 0.495 1.00 0.00 H new ATOM 1375 N LEU A 88 3.777 -1.409 4.124 1.00 0.00 N ATOM 1376 CA LEU A 88 3.571 -1.974 5.453 1.00 0.00 C ATOM 1377 C LEU A 88 2.156 -1.695 5.949 1.00 0.00 C ATOM 1378 O LEU A 88 1.823 -0.565 6.305 1.00 0.00 O ATOM 1379 CB LEU A 88 4.591 -1.400 6.437 1.00 0.00 C ATOM 1380 CG LEU A 88 6.060 -1.523 6.029 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.903 -0.484 6.751 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.577 -2.925 6.315 1.00 0.00 C ATOM 0 H LEU A 88 3.651 -0.398 4.072 1.00 0.00 H new ATOM 0 HA LEU A 88 3.707 -3.053 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.364 -0.345 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.459 -1.897 7.398 1.00 0.00 H new ATOM 0 HG LEU A 88 6.136 -1.341 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.945 -0.587 6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.548 0.514 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.822 -0.634 7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.624 -2.994 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.487 -3.136 7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.991 -3.651 5.751 1.00 0.00 H new ATOM 1394 N VAL A 89 1.327 -2.734 5.973 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.052 -2.602 6.429 1.00 0.00 C ATOM 1396 C VAL A 89 -0.149 -2.770 7.941 1.00 0.00 C ATOM 1397 O VAL A 89 -0.135 -3.890 8.454 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.970 -3.635 5.749 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.414 -3.431 6.180 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.839 -3.549 4.236 1.00 0.00 C ATOM 0 H VAL A 89 1.586 -3.677 5.682 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.381 -1.599 6.156 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.660 -4.632 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.048 -4.170 5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.491 -3.547 7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.740 -2.430 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.494 -4.286 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.122 -2.551 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.193 -3.749 3.948 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.246 -1.651 8.651 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.345 -1.674 10.105 1.00 0.00 C ATOM 1412 C ARG A 90 -1.597 -0.941 10.577 1.00 0.00 C ATOM 1413 O ARG A 90 -2.079 -0.024 9.912 1.00 0.00 O ATOM 1414 CB ARG A 90 0.898 -1.039 10.732 1.00 0.00 C ATOM 1415 CG ARG A 90 0.848 -0.972 12.250 1.00 0.00 C ATOM 1416 CD ARG A 90 2.082 -0.290 12.818 1.00 0.00 C ATOM 1417 NE ARG A 90 3.165 -1.238 13.069 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.424 -0.875 13.286 1.00 0.00 C ATOM 1419 NH1 ARG A 90 4.757 0.409 13.282 1.00 0.00 N ATOM 1420 NH2 ARG A 90 5.353 -1.796 13.507 1.00 0.00 N ATOM 0 H ARG A 90 -0.258 -0.716 8.242 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.413 -2.714 10.423 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.778 -1.608 10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.020 -0.031 10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.045 -0.430 12.562 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.768 -1.980 12.657 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.425 0.476 12.123 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.821 0.216 13.747 1.00 0.00 H new ATOM 0 HE ARG A 90 2.942 -2.233 13.078 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.046 1.120 13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.725 0.685 13.449 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.101 -2.784 13.510 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.320 -1.516 13.673 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.118 -1.352 11.727 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.315 -0.734 12.288 1.00 0.00 C ATOM 1436 C TRP A 91 -3.218 -0.639 13.807 1.00 0.00 C ATOM 1437 O TRP A 91 -2.351 -1.259 14.422 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.559 -1.532 11.892 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.499 -2.970 12.310 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -4.835 -3.483 13.531 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.078 -4.079 11.509 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -4.647 -4.844 13.536 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.184 -5.234 12.307 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.623 -4.208 10.194 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -3.850 -6.500 11.832 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.292 -5.465 9.724 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.407 -6.598 10.541 1.00 0.00 C ATOM 0 H TRP A 91 -1.731 -2.110 12.289 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.396 0.275 11.885 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.438 -1.067 12.339 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.686 -1.480 10.811 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.195 -2.904 14.369 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -4.824 -5.464 14.327 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.532 -3.341 9.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -3.938 -7.374 12.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.939 -5.576 8.710 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.141 -7.567 10.144 1.00 0.00 H new