USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 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 39 HIS : no HD1:sc= -1 X(o=-1.5,f=-1.3) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.547 K(o=-1.5,f=-4.4!) USER MOD Set 2.1: A 21 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot -130:sc= -0.233 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 157:sc= 0.721 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.482 USER MOD Single : A 13 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0715 K(o=-0.071,f=-3.2!) USER MOD Single : A 16 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.69) USER MOD Single : A 20 SER OG : rot 36:sc= 0.0674 USER MOD Single : A 26 HIS : no HD1:sc= -0.912 K(o=-0.91,f=-2.4) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.508 K(o=-0.51,f=-1.9) USER MOD Single : A 55 THR OG1 : rot 93:sc= 2.13 USER MOD Single : A 57 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.72) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 71 SER OG : rot 75:sc= 1.14 USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= 1.12 (180deg=1.04) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.935 K(o=-0.93,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.200 -7.662 -14.145 1.00 10.00 N ATOM 30 CA LYS A 5 -1.878 -8.767 -13.493 1.00 10.00 C ATOM 31 C LYS A 5 -2.710 -8.188 -12.357 1.00 10.00 C ATOM 32 O LYS A 5 -2.169 -7.673 -11.383 1.00 10.00 O ATOM 33 CB LYS A 5 -0.845 -9.815 -13.044 1.00 10.00 C ATOM 34 CG LYS A 5 -1.401 -11.240 -13.193 1.00 10.00 C ATOM 35 CD LYS A 5 -0.262 -12.267 -13.292 1.00 10.00 C ATOM 36 CE LYS A 5 -0.766 -13.564 -13.947 1.00 10.00 C ATOM 37 NZ LYS A 5 0.346 -14.415 -14.419 1.00 10.00 N ATOM 0 HA LYS A 5 -2.555 -9.293 -14.166 1.00 10.00 H new ATOM 0 HB2 LYS A 5 0.063 -9.712 -13.637 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.569 -9.636 -12.005 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.037 -11.477 -12.340 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.027 -11.299 -14.083 1.00 10.00 H new ATOM 0 HD2 LYS A 5 0.560 -11.853 -13.876 1.00 10.00 H new ATOM 0 HD3 LYS A 5 0.130 -12.482 -12.298 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.370 -14.121 -13.230 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.415 -13.317 -14.787 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.038 -15.278 -14.854 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 0.908 -13.894 -15.122 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 0.952 -14.673 -13.614 1.00 10.00 H new ATOM 51 N TYR A 6 -4.029 -8.199 -12.533 1.00 10.00 N ATOM 52 CA TYR A 6 -4.949 -7.662 -11.551 1.00 10.00 C ATOM 53 C TYR A 6 -5.014 -8.603 -10.346 1.00 10.00 C ATOM 54 O TYR A 6 -4.787 -9.801 -10.508 1.00 10.00 O ATOM 55 CB TYR A 6 -6.327 -7.463 -12.187 1.00 10.00 C ATOM 56 CG TYR A 6 -6.320 -6.829 -13.563 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.286 -5.431 -13.687 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.357 -7.632 -14.719 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.271 -4.834 -14.959 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.355 -7.036 -15.991 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.324 -5.635 -16.110 1.00 10.00 C ATOM 62 OH TYR A 6 -6.379 -5.051 -17.340 1.00 10.00 O ATOM 0 H TYR A 6 -4.484 -8.582 -13.362 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.599 -6.690 -11.203 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.821 -8.432 -12.254 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.929 -6.843 -11.523 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.271 -4.812 -12.802 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.387 -8.708 -14.628 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.219 -3.759 -15.051 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.377 -7.653 -16.877 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.410 -5.745 -18.031 1.00 10.00 H new ATOM 72 N TYR A 7 -5.325 -8.081 -9.155 1.00 10.00 N ATOM 73 CA TYR A 7 -5.390 -8.874 -7.932 1.00 10.00 C ATOM 74 C TYR A 7 -6.705 -8.604 -7.206 1.00 10.00 C ATOM 75 O TYR A 7 -7.206 -7.479 -7.216 1.00 10.00 O ATOM 76 CB TYR A 7 -4.194 -8.553 -7.036 1.00 10.00 C ATOM 77 CG TYR A 7 -2.850 -8.581 -7.735 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.301 -9.791 -8.201 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.146 -7.382 -7.926 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.052 -9.794 -8.851 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.898 -7.389 -8.558 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.363 -8.584 -9.055 1.00 10.00 C ATOM 83 OH TYR A 7 0.799 -8.551 -9.769 1.00 10.00 O ATOM 0 H TYR A 7 -5.539 -7.093 -9.016 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.351 -9.933 -8.187 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.340 -7.565 -6.599 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.174 -9.266 -6.212 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.838 -10.717 -8.060 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.570 -6.450 -7.583 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.623 -10.724 -9.193 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.344 -6.468 -8.663 1.00 10.00 H new ATOM 0 HH TYR A 7 0.937 -7.650 -10.128 1.00 10.00 H new ATOM 93 N THR A 8 -7.288 -9.651 -6.623 1.00 10.00 N ATOM 94 CA THR A 8 -8.563 -9.588 -5.920 1.00 10.00 C ATOM 95 C THR A 8 -8.330 -9.073 -4.503 1.00 10.00 C ATOM 96 O THR A 8 -7.236 -9.248 -3.968 1.00 10.00 O ATOM 97 CB THR A 8 -9.196 -10.989 -5.873 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.460 -11.835 -5.006 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.277 -11.633 -7.262 1.00 10.00 C ATOM 0 H THR A 8 -6.876 -10.584 -6.628 1.00 10.00 H new ATOM 0 HA THR A 8 -9.239 -8.912 -6.443 1.00 10.00 H new ATOM 0 HB THR A 8 -10.212 -10.866 -5.497 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.875 -12.722 -4.985 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.731 -12.621 -7.179 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.884 -11.009 -7.918 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.274 -11.728 -7.678 1.00 10.00 H new ATOM 107 N LEU A 9 -9.350 -8.490 -3.864 1.00 10.00 N ATOM 108 CA LEU A 9 -9.247 -8.083 -2.471 1.00 10.00 C ATOM 109 C LEU A 9 -8.731 -9.231 -1.606 1.00 10.00 C ATOM 110 O LEU A 9 -7.912 -9.002 -0.729 1.00 10.00 O ATOM 111 CB LEU A 9 -10.605 -7.604 -1.948 1.00 10.00 C ATOM 112 CG LEU A 9 -10.508 -6.252 -1.216 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.911 -5.757 -0.833 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.604 -6.334 0.024 1.00 10.00 C ATOM 0 H LEU A 9 -10.253 -8.292 -4.295 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.536 -7.258 -2.414 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.301 -7.514 -2.782 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.015 -8.353 -1.270 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.052 -5.536 -1.899 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.831 -4.801 -0.316 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.512 -5.633 -1.734 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.387 -6.485 -0.177 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.564 -5.359 0.510 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.007 -7.070 0.720 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.599 -6.631 -0.277 1.00 10.00 H new ATOM 126 N GLU A 10 -9.200 -10.456 -1.863 1.00 10.00 N ATOM 127 CA GLU A 10 -8.782 -11.656 -1.150 1.00 10.00 C ATOM 128 C GLU A 10 -7.268 -11.864 -1.267 1.00 10.00 C ATOM 129 O GLU A 10 -6.544 -11.935 -0.271 1.00 10.00 O ATOM 130 CB GLU A 10 -9.551 -12.860 -1.708 1.00 10.00 C ATOM 131 CG GLU A 10 -9.460 -14.074 -0.776 1.00 10.00 C ATOM 132 CD GLU A 10 -10.231 -13.863 0.523 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.456 -13.635 0.421 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.582 -13.924 1.588 1.00 10.00 O ATOM 0 H GLU A 10 -9.894 -10.639 -2.588 1.00 10.00 H new ATOM 0 HA GLU A 10 -9.010 -11.545 -0.090 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.597 -12.589 -1.851 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.153 -13.123 -2.688 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.850 -14.953 -1.289 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.414 -14.276 -0.547 1.00 10.00 H new ATOM 141 N GLU A 11 -6.772 -11.956 -2.504 1.00 10.00 N ATOM 142 CA GLU A 11 -5.341 -12.146 -2.706 1.00 10.00 C ATOM 143 C GLU A 11 -4.563 -10.988 -2.072 1.00 10.00 C ATOM 144 O GLU A 11 -3.569 -11.194 -1.387 1.00 10.00 O ATOM 145 CB GLU A 11 -4.963 -12.304 -4.189 1.00 10.00 C ATOM 146 CG GLU A 11 -4.304 -13.662 -4.484 1.00 10.00 C ATOM 147 CD GLU A 11 -5.318 -14.679 -4.985 1.00 10.00 C ATOM 148 OE1 GLU A 11 -5.966 -15.306 -4.123 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.427 -14.793 -6.224 1.00 10.00 O ATOM 0 H GLU A 11 -7.327 -11.903 -3.358 1.00 10.00 H new ATOM 0 HA GLU A 11 -5.069 -13.080 -2.215 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.857 -12.196 -4.803 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.282 -11.503 -4.475 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.519 -13.532 -5.229 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.826 -14.039 -3.580 1.00 10.00 H new ATOM 156 N ILE A 12 -5.009 -9.754 -2.292 1.00 10.00 N ATOM 157 CA ILE A 12 -4.364 -8.585 -1.713 1.00 10.00 C ATOM 158 C ILE A 12 -4.349 -8.726 -0.179 1.00 10.00 C ATOM 159 O ILE A 12 -3.319 -8.506 0.454 1.00 10.00 O ATOM 160 CB ILE A 12 -5.068 -7.316 -2.229 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.932 -7.223 -3.764 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.536 -6.024 -1.585 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.947 -6.246 -4.356 1.00 10.00 C ATOM 0 H ILE A 12 -5.821 -9.540 -2.872 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.322 -8.502 -2.021 1.00 10.00 H new ATOM 0 HB ILE A 12 -6.117 -7.406 -1.946 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.923 -6.902 -4.023 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -5.075 -8.210 -4.204 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -5.073 -5.167 -1.991 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.685 -6.067 -0.506 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.473 -5.921 -1.801 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.824 -6.205 -5.438 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.956 -6.582 -4.118 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.786 -5.254 -3.934 1.00 10.00 H new ATOM 175 N GLN A 13 -5.469 -9.143 0.417 1.00 10.00 N ATOM 176 CA GLN A 13 -5.619 -9.410 1.841 1.00 10.00 C ATOM 177 C GLN A 13 -4.539 -10.358 2.331 1.00 10.00 C ATOM 178 O GLN A 13 -3.848 -10.041 3.295 1.00 10.00 O ATOM 179 CB GLN A 13 -7.018 -9.966 2.158 1.00 10.00 C ATOM 180 CG GLN A 13 -7.980 -8.908 2.723 1.00 10.00 C ATOM 181 CD GLN A 13 -7.968 -8.820 4.253 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.492 -9.715 4.945 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.527 -7.751 4.811 1.00 10.00 N ATOM 0 H GLN A 13 -6.329 -9.309 -0.105 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.507 -8.464 2.370 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.447 -10.389 1.250 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.923 -10.781 2.876 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.718 -7.934 2.310 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.992 -9.135 2.389 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.919 -7.015 4.223 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.564 -7.667 5.827 1.00 10.00 H new ATOM 192 N LYS A 14 -4.368 -11.511 1.677 1.00 10.00 N ATOM 193 CA LYS A 14 -3.413 -12.514 2.144 1.00 10.00 C ATOM 194 C LYS A 14 -2.011 -11.910 2.352 1.00 10.00 C ATOM 195 O LYS A 14 -1.262 -12.334 3.232 1.00 10.00 O ATOM 196 CB LYS A 14 -3.431 -13.754 1.232 1.00 10.00 C ATOM 197 CG LYS A 14 -2.663 -13.588 -0.086 1.00 10.00 C ATOM 198 CD LYS A 14 -1.524 -14.595 -0.267 1.00 10.00 C ATOM 199 CE LYS A 14 -2.070 -15.887 -0.891 1.00 10.00 C ATOM 200 NZ LYS A 14 -1.277 -17.067 -0.503 1.00 10.00 N ATOM 0 H LYS A 14 -4.875 -11.769 0.830 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.724 -12.860 3.130 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -3.010 -14.597 1.779 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -4.467 -14.007 1.005 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -3.360 -13.689 -0.918 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -2.254 -12.579 -0.133 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -0.749 -14.171 -0.905 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -1.061 -14.812 0.696 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -3.106 -16.029 -0.582 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -2.071 -15.792 -1.977 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -1.680 -17.917 -0.946 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -0.294 -16.944 -0.820 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -1.296 -17.173 0.531 1.00 10.00 H new ATOM 214 N HIS A 15 -1.676 -10.877 1.574 1.00 10.00 N ATOM 215 CA HIS A 15 -0.429 -10.133 1.694 1.00 10.00 C ATOM 216 C HIS A 15 -0.508 -9.126 2.856 1.00 10.00 C ATOM 217 O HIS A 15 -0.461 -7.909 2.649 1.00 10.00 O ATOM 218 CB HIS A 15 -0.091 -9.469 0.356 1.00 10.00 C ATOM 219 CG HIS A 15 0.578 -10.389 -0.627 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.922 -10.433 -0.893 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.026 -11.301 -1.444 1.00 10.00 C ATOM 222 CE1 HIS A 15 2.130 -11.380 -1.821 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.969 -11.950 -2.181 1.00 10.00 N ATOM 0 H HIS A 15 -2.280 -10.531 0.829 1.00 10.00 H new ATOM 0 HA HIS A 15 0.385 -10.817 1.933 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -1.008 -9.082 -0.089 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.559 -8.614 0.540 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.088 -11.488 -1.510 1.00 10.00 H new ATOM 0 HE1 HIS A 15 3.097 -11.646 -2.222 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.839 -12.704 -2.856 1.00 10.00 H new ATOM 231 N ASN A 16 -0.603 -9.656 4.084 1.00 10.00 N ATOM 232 CA ASN A 16 -0.684 -8.886 5.329 1.00 10.00 C ATOM 233 C ASN A 16 0.200 -9.506 6.416 1.00 10.00 C ATOM 234 O ASN A 16 -0.239 -9.716 7.542 1.00 10.00 O ATOM 235 CB ASN A 16 -2.147 -8.742 5.804 1.00 10.00 C ATOM 236 CG ASN A 16 -2.750 -10.027 6.387 1.00 10.00 C ATOM 237 OD1 ASN A 16 -3.098 -10.092 7.562 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.884 -11.067 5.574 1.00 10.00 N ATOM 0 H ASN A 16 -0.626 -10.664 4.241 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.307 -7.883 5.128 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.196 -7.957 6.558 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.759 -8.416 4.963 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.282 -11.939 5.923 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.589 -10.994 4.600 1.00 10.00 H new ATOM 292 N SER A 20 5.380 -9.598 3.147 1.00 10.00 N ATOM 293 CA SER A 20 4.866 -8.808 2.045 1.00 10.00 C ATOM 294 C SER A 20 3.603 -8.058 2.480 1.00 10.00 C ATOM 295 O SER A 20 2.600 -8.688 2.815 1.00 10.00 O ATOM 296 CB SER A 20 4.586 -9.703 0.847 1.00 10.00 C ATOM 297 OG SER A 20 5.745 -10.400 0.438 1.00 10.00 O ATOM 0 HA SER A 20 5.614 -8.072 1.752 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.802 -10.416 1.100 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.213 -9.099 0.020 1.00 10.00 H new ATOM 0 HG SER A 20 6.275 -10.644 1.225 1.00 10.00 H new ATOM 303 N THR A 21 3.676 -6.728 2.458 1.00 10.00 N ATOM 304 CA THR A 21 2.612 -5.776 2.739 1.00 10.00 C ATOM 305 C THR A 21 2.073 -5.231 1.417 1.00 10.00 C ATOM 306 O THR A 21 2.720 -4.382 0.796 1.00 10.00 O ATOM 307 CB THR A 21 3.210 -4.656 3.606 1.00 10.00 C ATOM 308 OG1 THR A 21 3.467 -5.174 4.895 1.00 10.00 O ATOM 309 CG2 THR A 21 2.349 -3.391 3.723 1.00 10.00 C ATOM 0 H THR A 21 4.550 -6.256 2.225 1.00 10.00 H new ATOM 0 HA THR A 21 1.783 -6.241 3.273 1.00 10.00 H new ATOM 0 HB THR A 21 4.121 -4.335 3.102 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.698 -4.440 5.502 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.857 -2.662 4.354 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.191 -2.965 2.732 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.386 -3.646 4.166 1.00 10.00 H new ATOM 317 N TRP A 22 0.900 -5.716 0.993 1.00 10.00 N ATOM 318 CA TRP A 22 0.156 -5.158 -0.131 1.00 10.00 C ATOM 319 C TRP A 22 -0.985 -4.316 0.420 1.00 10.00 C ATOM 320 O TRP A 22 -1.144 -4.239 1.632 1.00 10.00 O ATOM 321 CB TRP A 22 -0.397 -6.286 -0.998 1.00 10.00 C ATOM 322 CG TRP A 22 0.605 -7.078 -1.775 1.00 10.00 C ATOM 323 CD1 TRP A 22 1.936 -7.127 -1.553 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.380 -7.887 -2.965 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.542 -7.906 -2.505 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.635 -8.385 -3.424 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.758 -8.215 -3.725 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.756 -9.153 -4.590 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.658 -9.025 -4.868 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.599 -9.468 -5.321 1.00 10.00 C ATOM 0 H TRP A 22 0.440 -6.515 1.429 1.00 10.00 H new ATOM 0 HA TRP A 22 0.811 -4.540 -0.745 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.950 -6.971 -0.356 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.113 -5.858 -1.700 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.448 -6.626 -0.745 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.542 -8.106 -2.529 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.724 -7.838 -3.424 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.724 -9.497 -4.921 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.552 -9.310 -5.403 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.673 -10.049 -6.229 1.00 10.00 H new ATOM 341 N LEU A 23 -1.773 -3.678 -0.446 1.00 10.00 N ATOM 342 CA LEU A 23 -2.884 -2.803 -0.089 1.00 10.00 C ATOM 343 C LEU A 23 -3.474 -2.251 -1.380 1.00 10.00 C ATOM 344 O LEU A 23 -2.867 -2.429 -2.438 1.00 10.00 O ATOM 345 CB LEU A 23 -2.462 -1.681 0.878 1.00 10.00 C ATOM 346 CG LEU A 23 -1.067 -1.089 0.614 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.064 -0.114 -0.558 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.579 -0.333 1.843 1.00 10.00 C ATOM 0 H LEU A 23 -1.648 -3.762 -1.455 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.638 -3.374 0.452 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.198 -0.878 0.823 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.489 -2.069 1.896 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.413 -1.929 0.379 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.057 0.276 -0.704 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.388 -0.630 -1.462 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.746 0.710 -0.347 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.409 0.082 1.646 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.273 0.475 2.072 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.523 -1.015 2.691 1.00 10.00 H new ATOM 360 N ILE A 24 -4.636 -1.597 -1.292 1.00 10.00 N ATOM 361 CA ILE A 24 -5.294 -0.961 -2.431 1.00 10.00 C ATOM 362 C ILE A 24 -5.326 0.542 -2.182 1.00 10.00 C ATOM 363 O ILE A 24 -5.828 0.985 -1.148 1.00 10.00 O ATOM 364 CB ILE A 24 -6.707 -1.525 -2.645 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.641 -3.006 -3.029 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.468 -0.761 -3.742 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.890 -3.735 -2.518 1.00 10.00 C ATOM 0 H ILE A 24 -5.150 -1.495 -0.417 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.737 -1.170 -3.344 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.242 -1.407 -1.703 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.568 -3.107 -4.112 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.745 -3.461 -2.606 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.462 -1.191 -3.862 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.558 0.288 -3.459 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.924 -0.838 -4.683 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.836 -4.788 -2.795 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.944 -3.648 -1.433 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.779 -3.288 -2.962 1.00 10.00 H new ATOM 379 N LEU A 25 -4.769 1.299 -3.132 1.00 10.00 N ATOM 380 CA LEU A 25 -4.703 2.750 -3.163 1.00 10.00 C ATOM 381 C LEU A 25 -5.277 3.185 -4.513 1.00 10.00 C ATOM 382 O LEU A 25 -4.573 3.214 -5.518 1.00 10.00 O ATOM 383 CB LEU A 25 -3.232 3.177 -2.988 1.00 10.00 C ATOM 384 CG LEU A 25 -2.736 3.652 -1.626 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.459 2.919 -0.523 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.207 3.535 -1.507 1.00 10.00 C ATOM 0 H LEU A 25 -4.326 0.880 -3.950 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.275 3.219 -2.362 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.611 2.331 -3.283 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.039 3.978 -3.701 1.00 10.00 H new ATOM 0 HG LEU A 25 -2.966 4.712 -1.523 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.096 3.267 0.444 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.529 3.111 -0.599 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.275 1.849 -0.616 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.891 3.883 -0.523 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -0.911 2.494 -1.637 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.734 4.145 -2.277 1.00 10.00 H new ATOM 398 N HIS A 26 -6.567 3.515 -4.550 1.00 10.00 N ATOM 399 CA HIS A 26 -7.271 3.988 -5.740 1.00 10.00 C ATOM 400 C HIS A 26 -7.390 2.876 -6.779 1.00 10.00 C ATOM 401 O HIS A 26 -7.022 3.056 -7.939 1.00 10.00 O ATOM 402 CB HIS A 26 -6.626 5.239 -6.352 1.00 10.00 C ATOM 403 CG HIS A 26 -6.283 6.307 -5.358 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.102 7.326 -4.936 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.066 6.466 -4.760 1.00 10.00 C ATOM 406 CE1 HIS A 26 -6.378 8.095 -4.108 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.121 7.629 -3.992 1.00 10.00 N ATOM 0 H HIS A 26 -7.169 3.459 -3.728 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.272 4.276 -5.418 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.718 4.944 -6.879 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.305 5.656 -7.096 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.214 5.810 -4.863 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -6.754 8.972 -3.602 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -4.361 8.043 -3.451 1.00 10.00 H new ATOM 415 N TYR A 27 -7.886 1.714 -6.349 1.00 10.00 N ATOM 416 CA TYR A 27 -8.080 0.547 -7.203 1.00 10.00 C ATOM 417 C TYR A 27 -6.772 0.060 -7.826 1.00 10.00 C ATOM 418 O TYR A 27 -6.801 -0.702 -8.788 1.00 10.00 O ATOM 419 CB TYR A 27 -9.138 0.838 -8.279 1.00 10.00 C ATOM 420 CG TYR A 27 -10.419 1.471 -7.769 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.012 1.023 -6.572 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.022 2.516 -8.493 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.220 1.580 -6.128 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.220 3.091 -8.034 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.828 2.610 -6.863 1.00 10.00 C ATOM 426 OH TYR A 27 -13.996 3.159 -6.431 1.00 10.00 O ATOM 0 H TYR A 27 -8.168 1.558 -5.381 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.443 -0.264 -6.571 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.699 1.496 -9.029 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.388 -0.096 -8.782 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.534 0.247 -5.993 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.564 2.877 -9.402 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.682 1.217 -5.222 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.673 3.903 -8.583 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.279 3.859 -7.056 1.00 10.00 H new ATOM 436 N LYS A 28 -5.631 0.475 -7.274 1.00 10.00 N ATOM 437 CA LYS A 28 -4.308 0.099 -7.724 1.00 10.00 C ATOM 438 C LYS A 28 -3.612 -0.569 -6.549 1.00 10.00 C ATOM 439 O LYS A 28 -3.709 -0.085 -5.420 1.00 10.00 O ATOM 440 CB LYS A 28 -3.572 1.333 -8.253 1.00 10.00 C ATOM 441 CG LYS A 28 -4.128 1.701 -9.633 1.00 10.00 C ATOM 442 CD LYS A 28 -3.609 3.057 -10.118 1.00 10.00 C ATOM 443 CE LYS A 28 -4.154 3.350 -11.529 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.084 3.489 -12.536 1.00 10.00 N ATOM 0 H LYS A 28 -5.612 1.105 -6.472 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.335 -0.606 -8.555 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.696 2.168 -7.564 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.503 1.132 -8.321 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.853 0.929 -10.352 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.217 1.724 -9.591 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.918 3.843 -9.428 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.519 3.056 -10.132 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.827 2.546 -11.828 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.744 4.266 -11.503 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.506 3.685 -13.466 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.455 4.273 -12.269 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -2.536 2.607 -12.584 1.00 10.00 H new ATOM 458 N VAL A 29 -2.982 -1.715 -6.812 1.00 10.00 N ATOM 459 CA VAL A 29 -2.268 -2.487 -5.814 1.00 10.00 C ATOM 460 C VAL A 29 -0.791 -2.113 -5.839 1.00 10.00 C ATOM 461 O VAL A 29 -0.196 -1.966 -6.912 1.00 10.00 O ATOM 462 CB VAL A 29 -2.452 -3.987 -6.060 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.041 -4.791 -4.821 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.908 -4.301 -6.396 1.00 10.00 C ATOM 0 H VAL A 29 -2.958 -2.133 -7.742 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.674 -2.257 -4.829 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.817 -4.267 -6.901 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.179 -5.855 -5.015 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.993 -4.597 -4.592 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.658 -4.494 -3.973 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.019 -5.372 -6.568 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.546 -3.998 -5.566 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.199 -3.757 -7.295 1.00 10.00 H new ATOM 474 N TYR A 30 -0.213 -1.978 -4.646 1.00 10.00 N ATOM 475 CA TYR A 30 1.168 -1.589 -4.445 1.00 10.00 C ATOM 476 C TYR A 30 1.813 -2.599 -3.502 1.00 10.00 C ATOM 477 O TYR A 30 1.418 -2.676 -2.340 1.00 10.00 O ATOM 478 CB TYR A 30 1.198 -0.169 -3.872 1.00 10.00 C ATOM 479 CG TYR A 30 0.542 0.853 -4.775 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.268 1.454 -5.813 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.840 1.070 -4.688 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.630 2.337 -6.706 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.465 1.966 -5.567 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.728 2.631 -6.550 1.00 10.00 C ATOM 485 OH TYR A 30 -1.339 3.535 -7.369 1.00 10.00 O ATOM 0 H TYR A 30 -0.713 -2.143 -3.773 1.00 10.00 H new ATOM 0 HA TYR A 30 1.728 -1.585 -5.380 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.696 -0.164 -2.904 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.233 0.123 -3.696 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.320 1.239 -5.928 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.423 0.547 -3.944 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.190 2.787 -7.512 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.527 2.144 -5.483 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.901 3.530 -8.246 1.00 10.00 H new ATOM 495 N ASP A 31 2.777 -3.378 -4.001 1.00 10.00 N ATOM 496 CA ASP A 31 3.596 -4.260 -3.181 1.00 10.00 C ATOM 497 C ASP A 31 4.785 -3.446 -2.711 1.00 10.00 C ATOM 498 O ASP A 31 5.667 -3.138 -3.512 1.00 10.00 O ATOM 499 CB ASP A 31 4.096 -5.453 -3.999 1.00 10.00 C ATOM 500 CG ASP A 31 5.057 -6.347 -3.223 1.00 10.00 C ATOM 501 OD1 ASP A 31 4.847 -6.499 -1.998 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.924 -6.955 -3.880 1.00 10.00 O ATOM 0 H ASP A 31 3.009 -3.411 -4.994 1.00 10.00 H new ATOM 0 HA ASP A 31 3.013 -4.646 -2.345 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.242 -6.045 -4.327 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.594 -5.088 -4.897 1.00 10.00 H new ATOM 507 N LEU A 32 4.787 -3.044 -1.441 1.00 10.00 N ATOM 508 CA LEU A 32 5.898 -2.317 -0.877 1.00 10.00 C ATOM 509 C LEU A 32 6.716 -3.263 -0.010 1.00 10.00 C ATOM 510 O LEU A 32 7.635 -3.905 -0.510 1.00 10.00 O ATOM 511 CB LEU A 32 5.417 -1.052 -0.163 1.00 10.00 C ATOM 512 CG LEU A 32 4.597 -0.151 -1.099 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.123 -0.327 -0.731 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.068 1.293 -0.955 1.00 10.00 C ATOM 0 H LEU A 32 4.022 -3.216 -0.789 1.00 10.00 H new ATOM 0 HA LEU A 32 6.562 -1.954 -1.661 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.811 -1.329 0.700 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.276 -0.498 0.215 1.00 10.00 H new ATOM 0 HG LEU A 32 4.732 -0.423 -2.146 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.509 0.300 -1.378 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.838 -1.371 -0.861 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.970 -0.036 0.308 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.487 1.933 -1.619 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.931 1.619 0.076 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.123 1.360 -1.219 1.00 10.00 H new ATOM 526 N THR A 33 6.404 -3.349 1.287 1.00 10.00 N ATOM 527 CA THR A 33 7.078 -4.185 2.270 1.00 10.00 C ATOM 528 C THR A 33 8.511 -3.725 2.557 1.00 10.00 C ATOM 529 O THR A 33 8.838 -3.322 3.668 1.00 10.00 O ATOM 530 CB THR A 33 6.921 -5.678 1.931 1.00 10.00 C ATOM 531 OG1 THR A 33 6.338 -6.299 3.058 1.00 10.00 O ATOM 532 CG2 THR A 33 8.201 -6.426 1.547 1.00 10.00 C ATOM 0 H THR A 33 5.639 -2.811 1.693 1.00 10.00 H new ATOM 0 HA THR A 33 6.576 -4.056 3.229 1.00 10.00 H new ATOM 0 HB THR A 33 6.306 -5.727 1.032 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.858 -7.094 3.299 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.963 -7.467 1.331 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.642 -5.964 0.664 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.911 -6.380 2.373 1.00 10.00 H new ATOM 540 N LYS A 34 9.368 -3.703 1.544 1.00 10.00 N ATOM 541 CA LYS A 34 10.742 -3.281 1.689 1.00 10.00 C ATOM 542 C LYS A 34 10.789 -1.768 1.933 1.00 10.00 C ATOM 543 O LYS A 34 11.814 -1.244 2.349 1.00 10.00 O ATOM 544 CB LYS A 34 11.504 -3.718 0.433 1.00 10.00 C ATOM 545 CG LYS A 34 13.016 -3.650 0.656 1.00 10.00 C ATOM 546 CD LYS A 34 13.760 -3.956 -0.646 1.00 10.00 C ATOM 547 CE LYS A 34 15.256 -3.671 -0.450 1.00 10.00 C ATOM 548 NZ LYS A 34 15.938 -3.397 -1.730 1.00 10.00 N ATOM 0 H LYS A 34 9.120 -3.981 0.594 1.00 10.00 H new ATOM 0 HA LYS A 34 11.222 -3.745 2.551 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.218 -4.735 0.166 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.228 -3.078 -0.405 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.293 -2.659 1.017 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.309 -4.363 1.426 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.610 -4.998 -0.929 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.364 -3.345 -1.457 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.378 -2.817 0.216 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.727 -4.525 0.037 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.946 -3.210 -1.553 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.844 -4.221 -2.357 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.506 -2.567 -2.183 1.00 10.00 H new ATOM 562 N PHE A 35 9.670 -1.072 1.696 1.00 10.00 N ATOM 563 CA PHE A 35 9.557 0.359 1.899 1.00 10.00 C ATOM 564 C PHE A 35 9.014 0.653 3.298 1.00 10.00 C ATOM 565 O PHE A 35 8.870 1.815 3.646 1.00 10.00 O ATOM 566 CB PHE A 35 8.626 0.933 0.824 1.00 10.00 C ATOM 567 CG PHE A 35 8.764 2.422 0.554 1.00 10.00 C ATOM 568 CD1 PHE A 35 9.990 2.924 0.085 1.00 10.00 C ATOM 569 CD2 PHE A 35 7.663 3.291 0.683 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.132 4.286 -0.222 1.00 10.00 C ATOM 571 CE2 PHE A 35 7.797 4.652 0.350 1.00 10.00 C ATOM 572 CZ PHE A 35 9.033 5.151 -0.098 1.00 10.00 C ATOM 0 H PHE A 35 8.811 -1.503 1.353 1.00 10.00 H new ATOM 0 HA PHE A 35 10.539 0.826 1.817 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.804 0.396 -0.108 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.596 0.730 1.117 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.830 2.256 -0.040 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.716 2.913 1.038 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.086 4.669 -0.553 1.00 10.00 H new ATOM 0 HE2 PHE A 35 6.949 5.314 0.439 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.137 6.197 -0.346 1.00 10.00 H new ATOM 582 N LEU A 36 8.667 -0.360 4.104 1.00 10.00 N ATOM 583 CA LEU A 36 8.114 -0.124 5.433 1.00 10.00 C ATOM 584 C LEU A 36 9.059 0.742 6.265 1.00 10.00 C ATOM 585 O LEU A 36 8.661 1.806 6.733 1.00 10.00 O ATOM 586 CB LEU A 36 7.836 -1.462 6.126 1.00 10.00 C ATOM 587 CG LEU A 36 6.698 -2.248 5.466 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.729 -3.678 6.022 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.335 -1.613 5.743 1.00 10.00 C ATOM 0 H LEU A 36 8.761 -1.345 3.855 1.00 10.00 H new ATOM 0 HA LEU A 36 7.172 0.416 5.334 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.743 -2.067 6.115 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.587 -1.280 7.171 1.00 10.00 H new ATOM 0 HG LEU A 36 6.841 -2.244 4.385 1.00 10.00 H new ATOM 0 HD11 LEU A 36 5.928 -4.262 5.569 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.690 -4.138 5.790 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.592 -3.651 7.103 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.555 -2.200 5.258 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.156 -1.590 6.818 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.321 -0.596 5.351 1.00 10.00 H new ATOM 601 N GLU A 37 10.304 0.294 6.437 1.00 10.00 N ATOM 602 CA GLU A 37 11.304 1.045 7.181 1.00 10.00 C ATOM 603 C GLU A 37 11.616 2.384 6.498 1.00 10.00 C ATOM 604 O GLU A 37 11.831 3.393 7.167 1.00 10.00 O ATOM 605 CB GLU A 37 12.554 0.180 7.406 1.00 10.00 C ATOM 606 CG GLU A 37 13.236 -0.302 6.115 1.00 10.00 C ATOM 607 CD GLU A 37 14.510 -1.080 6.424 1.00 10.00 C ATOM 608 OE1 GLU A 37 15.410 -0.468 7.040 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.560 -2.269 6.042 1.00 10.00 O ATOM 0 H GLU A 37 10.641 -0.594 6.065 1.00 10.00 H new ATOM 0 HA GLU A 37 10.904 1.296 8.164 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.275 0.751 7.992 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.276 -0.689 8.002 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.549 -0.933 5.551 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.473 0.554 5.484 1.00 10.00 H new ATOM 616 N GLU A 38 11.625 2.396 5.161 1.00 10.00 N ATOM 617 CA GLU A 38 11.908 3.580 4.363 1.00 10.00 C ATOM 618 C GLU A 38 10.823 4.648 4.553 1.00 10.00 C ATOM 619 O GLU A 38 11.100 5.847 4.535 1.00 10.00 O ATOM 620 CB GLU A 38 12.036 3.168 2.890 1.00 10.00 C ATOM 621 CG GLU A 38 13.125 2.103 2.671 1.00 10.00 C ATOM 622 CD GLU A 38 13.865 2.282 1.347 1.00 10.00 C ATOM 623 OE1 GLU A 38 13.175 2.352 0.307 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.112 2.349 1.392 1.00 10.00 O ATOM 0 H GLU A 38 11.432 1.567 4.600 1.00 10.00 H new ATOM 0 HA GLU A 38 12.848 4.023 4.693 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.079 2.782 2.539 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.265 4.047 2.288 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.841 2.147 3.492 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.670 1.113 2.698 1.00 10.00 H new ATOM 631 N HIS A 39 9.572 4.213 4.695 1.00 10.00 N ATOM 632 CA HIS A 39 8.406 5.075 4.735 1.00 10.00 C ATOM 633 C HIS A 39 8.364 5.877 6.050 1.00 10.00 C ATOM 634 O HIS A 39 8.301 5.289 7.133 1.00 10.00 O ATOM 635 CB HIS A 39 7.157 4.212 4.544 1.00 10.00 C ATOM 636 CG HIS A 39 5.878 4.993 4.587 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.188 5.270 5.734 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.196 5.541 3.530 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.110 5.976 5.375 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.063 6.185 4.041 1.00 10.00 N ATOM 0 H HIS A 39 9.342 3.224 4.787 1.00 10.00 H new ATOM 0 HA HIS A 39 8.452 5.808 3.929 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.225 3.695 3.587 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.132 3.446 5.319 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.482 5.485 2.490 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.365 6.336 6.069 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.355 6.701 3.519 1.00 10.00 H new ATOM 648 N PRO A 40 8.334 7.219 5.988 1.00 10.00 N ATOM 649 CA PRO A 40 8.568 8.077 7.143 1.00 10.00 C ATOM 650 C PRO A 40 7.493 7.922 8.220 1.00 10.00 C ATOM 651 O PRO A 40 7.788 8.063 9.403 1.00 10.00 O ATOM 652 CB PRO A 40 8.633 9.506 6.598 1.00 10.00 C ATOM 653 CG PRO A 40 7.851 9.440 5.288 1.00 10.00 C ATOM 654 CD PRO A 40 8.076 8.011 4.797 1.00 10.00 C ATOM 0 HA PRO A 40 9.496 7.802 7.645 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.188 10.218 7.293 1.00 10.00 H new ATOM 0 HB3 PRO A 40 9.663 9.823 6.432 1.00 10.00 H new ATOM 0 HG2 PRO A 40 6.792 9.647 5.444 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.216 10.172 4.568 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.202 7.639 4.262 1.00 10.00 H new ATOM 0 HD3 PRO A 40 8.917 7.963 4.106 1.00 10.00 H new ATOM 662 N GLY A 41 6.252 7.623 7.820 1.00 10.00 N ATOM 663 CA GLY A 41 5.141 7.404 8.739 1.00 10.00 C ATOM 664 C GLY A 41 5.434 6.385 9.844 1.00 10.00 C ATOM 665 O GLY A 41 4.786 6.428 10.887 1.00 10.00 O ATOM 0 H GLY A 41 5.993 7.526 6.838 1.00 10.00 H new ATOM 0 HA2 GLY A 41 4.871 8.355 9.199 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.274 7.068 8.170 1.00 10.00 H new ATOM 669 N GLY A 42 6.373 5.460 9.615 1.00 10.00 N ATOM 670 CA GLY A 42 6.734 4.453 10.597 1.00 10.00 C ATOM 671 C GLY A 42 6.088 3.121 10.234 1.00 10.00 C ATOM 672 O GLY A 42 4.867 3.026 10.077 1.00 10.00 O ATOM 0 H GLY A 42 6.898 5.395 8.743 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.818 4.343 10.637 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.409 4.767 11.589 1.00 10.00 H new ATOM 676 N GLU A 43 6.924 2.094 10.082 1.00 10.00 N ATOM 677 CA GLU A 43 6.518 0.727 9.829 1.00 10.00 C ATOM 678 C GLU A 43 5.564 0.217 10.911 1.00 10.00 C ATOM 679 O GLU A 43 5.960 -0.285 11.958 1.00 10.00 O ATOM 680 CB GLU A 43 7.757 -0.154 9.719 1.00 10.00 C ATOM 681 CG GLU A 43 8.813 0.097 10.805 1.00 10.00 C ATOM 682 CD GLU A 43 9.611 -1.175 11.046 1.00 10.00 C ATOM 683 OE1 GLU A 43 10.133 -1.703 10.041 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.640 -1.623 12.212 1.00 10.00 O ATOM 0 H GLU A 43 7.937 2.203 10.135 1.00 10.00 H new ATOM 0 HA GLU A 43 5.971 0.689 8.887 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.450 -1.199 9.763 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.214 0.003 8.742 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.479 0.904 10.499 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.330 0.416 11.729 1.00 10.00 H new ATOM 691 N ALA A 44 4.278 0.342 10.625 1.00 10.00 N ATOM 692 CA ALA A 44 3.191 0.003 11.521 1.00 10.00 C ATOM 693 C ALA A 44 1.913 0.320 10.776 1.00 10.00 C ATOM 694 O ALA A 44 1.188 -0.592 10.397 1.00 10.00 O ATOM 695 CB ALA A 44 3.276 0.799 12.830 1.00 10.00 C ATOM 0 H ALA A 44 3.953 0.697 9.726 1.00 10.00 H new ATOM 0 HA ALA A 44 3.234 -1.049 11.803 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.446 0.521 13.480 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.219 0.577 13.330 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.224 1.866 12.611 1.00 10.00 H new ATOM 701 N VAL A 45 1.661 1.601 10.497 1.00 10.00 N ATOM 702 CA VAL A 45 0.423 1.986 9.838 1.00 10.00 C ATOM 703 C VAL A 45 0.346 1.346 8.451 1.00 10.00 C ATOM 704 O VAL A 45 -0.695 0.785 8.102 1.00 10.00 O ATOM 705 CB VAL A 45 0.225 3.513 9.867 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.043 4.249 8.797 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.258 3.890 9.744 1.00 10.00 C ATOM 0 H VAL A 45 2.290 2.374 10.715 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.431 1.594 10.390 1.00 10.00 H new ATOM 0 HB VAL A 45 0.597 3.838 10.839 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.859 5.321 8.871 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.104 4.052 8.951 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.748 3.898 7.808 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.361 4.975 9.768 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.653 3.509 8.803 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.814 3.454 10.574 1.00 10.00 H new ATOM 717 N LEU A 46 1.457 1.338 7.691 1.00 10.00 N ATOM 718 CA LEU A 46 1.446 0.634 6.417 1.00 10.00 C ATOM 719 C LEU A 46 1.113 -0.850 6.577 1.00 10.00 C ATOM 720 O LEU A 46 0.483 -1.424 5.695 1.00 10.00 O ATOM 721 CB LEU A 46 2.778 0.819 5.678 1.00 10.00 C ATOM 722 CG LEU A 46 2.832 2.113 4.856 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.192 2.206 4.162 1.00 10.00 C ATOM 724 CD2 LEU A 46 1.742 2.116 3.779 1.00 10.00 C ATOM 0 H LEU A 46 2.336 1.795 7.932 1.00 10.00 H new ATOM 0 HA LEU A 46 0.652 1.076 5.815 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.592 0.821 6.403 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.942 -0.032 5.017 1.00 10.00 H new ATOM 0 HG LEU A 46 2.678 2.958 5.527 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.239 3.123 3.575 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.983 2.214 4.912 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.324 1.347 3.504 1.00 10.00 H new ATOM 0 HD21 LEU A 46 1.798 3.042 3.207 1.00 10.00 H new ATOM 0 HD22 LEU A 46 1.889 1.268 3.110 1.00 10.00 H new ATOM 0 HD23 LEU A 46 0.763 2.040 4.252 1.00 10.00 H new ATOM 736 N ARG A 47 1.522 -1.477 7.683 1.00 10.00 N ATOM 737 CA ARG A 47 1.243 -2.884 7.918 1.00 10.00 C ATOM 738 C ARG A 47 -0.219 -3.069 8.341 1.00 10.00 C ATOM 739 O ARG A 47 -0.903 -3.950 7.836 1.00 10.00 O ATOM 740 CB ARG A 47 2.224 -3.450 8.951 1.00 10.00 C ATOM 741 CG ARG A 47 2.098 -4.982 9.039 1.00 10.00 C ATOM 742 CD ARG A 47 3.332 -5.712 8.486 1.00 10.00 C ATOM 743 NE ARG A 47 4.475 -5.651 9.414 1.00 10.00 N ATOM 744 CZ ARG A 47 4.586 -6.374 10.541 1.00 10.00 C ATOM 745 NH1 ARG A 47 3.604 -7.215 10.888 1.00 10.00 N ATOM 746 NH2 ARG A 47 5.668 -6.249 11.318 1.00 10.00 N ATOM 0 H ARG A 47 2.050 -1.024 8.429 1.00 10.00 H new ATOM 0 HA ARG A 47 1.386 -3.444 6.994 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.244 -3.179 8.678 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.027 -3.007 9.927 1.00 10.00 H new ATOM 0 HG2 ARG A 47 1.946 -5.271 10.079 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.214 -5.302 8.487 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.079 -6.754 8.291 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.617 -5.270 7.531 1.00 10.00 H new ATOM 0 HE ARG A 47 5.237 -5.014 9.184 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.777 -7.304 10.298 1.00 10.00 H new ATOM 0 HH12 ARG A 47 3.683 -7.766 11.742 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.412 -5.603 11.056 1.00 10.00 H new ATOM 0 HH22 ARG A 47 5.748 -6.800 12.173 1.00 10.00 H new ATOM 760 N ALA A 48 -0.713 -2.241 9.260 1.00 10.00 N ATOM 761 CA ALA A 48 -2.064 -2.346 9.792 1.00 10.00 C ATOM 762 C ALA A 48 -3.101 -2.173 8.685 1.00 10.00 C ATOM 763 O ALA A 48 -4.109 -2.872 8.664 1.00 10.00 O ATOM 764 CB ALA A 48 -2.259 -1.307 10.898 1.00 10.00 C ATOM 0 H ALA A 48 -0.177 -1.470 9.659 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.204 -3.341 10.215 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.270 -1.385 11.297 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.539 -1.486 11.697 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.106 -0.308 10.490 1.00 10.00 H new ATOM 770 N GLN A 49 -2.850 -1.239 7.764 1.00 10.00 N ATOM 771 CA GLN A 49 -3.690 -1.038 6.597 1.00 10.00 C ATOM 772 C GLN A 49 -3.345 -1.993 5.454 1.00 10.00 C ATOM 773 O GLN A 49 -4.041 -2.005 4.439 1.00 10.00 O ATOM 774 CB GLN A 49 -3.503 0.408 6.152 1.00 10.00 C ATOM 775 CG GLN A 49 -4.377 1.367 6.968 1.00 10.00 C ATOM 776 CD GLN A 49 -5.863 1.091 6.767 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.326 1.026 5.637 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.625 0.932 7.845 1.00 10.00 N ATOM 0 H GLN A 49 -2.054 -0.603 7.814 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.727 -1.246 6.861 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.455 0.690 6.259 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.751 0.499 5.095 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.130 1.273 8.025 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.156 2.395 6.679 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.211 0.991 8.775 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.623 0.750 7.742 1.00 10.00 H new ATOM 787 N ALA A 50 -2.270 -2.772 5.584 1.00 10.00 N ATOM 788 CA ALA A 50 -1.924 -3.744 4.563 1.00 10.00 C ATOM 789 C ALA A 50 -3.071 -4.731 4.371 1.00 10.00 C ATOM 790 O ALA A 50 -3.824 -5.017 5.300 1.00 10.00 O ATOM 791 CB ALA A 50 -0.667 -4.533 4.925 1.00 10.00 C ATOM 0 H ALA A 50 -1.634 -2.745 6.381 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.735 -3.187 3.645 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.446 -5.248 4.133 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.173 -3.847 5.040 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.830 -5.067 5.861 1.00 10.00 H new ATOM 797 N GLY A 51 -3.176 -5.277 3.165 1.00 10.00 N ATOM 798 CA GLY A 51 -4.195 -6.237 2.817 1.00 10.00 C ATOM 799 C GLY A 51 -5.583 -5.660 3.060 1.00 10.00 C ATOM 800 O GLY A 51 -6.437 -6.308 3.653 1.00 10.00 O ATOM 0 H GLY A 51 -2.543 -5.056 2.397 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.092 -6.521 1.770 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.064 -7.144 3.407 1.00 10.00 H new ATOM 804 N GLY A 52 -5.826 -4.442 2.581 1.00 10.00 N ATOM 805 CA GLY A 52 -7.120 -3.803 2.683 1.00 10.00 C ATOM 806 C GLY A 52 -7.140 -2.595 1.758 1.00 10.00 C ATOM 807 O GLY A 52 -6.096 -2.192 1.231 1.00 10.00 O ATOM 0 H GLY A 52 -5.122 -3.874 2.110 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.910 -4.502 2.409 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.310 -3.495 3.711 1.00 10.00 H new ATOM 811 N ASP A 53 -8.329 -2.017 1.569 1.00 10.00 N ATOM 812 CA ASP A 53 -8.413 -0.665 1.053 1.00 10.00 C ATOM 813 C ASP A 53 -7.741 0.255 2.059 1.00 10.00 C ATOM 814 O ASP A 53 -8.184 0.334 3.202 1.00 10.00 O ATOM 815 CB ASP A 53 -9.857 -0.215 0.815 1.00 10.00 C ATOM 816 CG ASP A 53 -9.873 1.285 0.531 1.00 10.00 C ATOM 817 OD1 ASP A 53 -8.947 1.735 -0.182 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.763 1.978 1.063 1.00 10.00 O ATOM 0 H ASP A 53 -9.226 -2.461 1.764 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.915 -0.627 0.084 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.287 -0.761 -0.024 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.469 -0.439 1.689 1.00 10.00 H new ATOM 823 N ALA A 54 -6.684 0.935 1.621 1.00 10.00 N ATOM 824 CA ALA A 54 -6.054 1.984 2.393 1.00 10.00 C ATOM 825 C ALA A 54 -6.094 3.288 1.611 1.00 10.00 C ATOM 826 O ALA A 54 -5.356 4.211 1.947 1.00 10.00 O ATOM 827 CB ALA A 54 -4.621 1.577 2.720 1.00 10.00 C ATOM 0 H ALA A 54 -6.244 0.767 0.716 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.591 2.135 3.329 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.143 2.365 3.302 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.628 0.653 3.298 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.067 1.422 1.794 1.00 10.00 H new ATOM 833 N THR A 55 -6.934 3.388 0.576 1.00 10.00 N ATOM 834 CA THR A 55 -7.047 4.597 -0.219 1.00 10.00 C ATOM 835 C THR A 55 -7.454 5.737 0.710 1.00 10.00 C ATOM 836 O THR A 55 -6.805 6.782 0.763 1.00 10.00 O ATOM 837 CB THR A 55 -8.053 4.387 -1.363 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.811 3.168 -2.038 1.00 10.00 O ATOM 839 CG2 THR A 55 -7.906 5.510 -2.384 1.00 10.00 C ATOM 0 H THR A 55 -7.549 2.632 0.273 1.00 10.00 H new ATOM 0 HA THR A 55 -6.094 4.848 -0.685 1.00 10.00 H new ATOM 0 HB THR A 55 -9.052 4.375 -0.926 1.00 10.00 H new ATOM 0 HG1 THR A 55 -8.363 2.461 -1.644 1.00 10.00 H new ATOM 0 HG21 THR A 55 -8.619 5.360 -3.195 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.100 6.468 -1.902 1.00 10.00 H new ATOM 0 HG23 THR A 55 -6.893 5.505 -2.787 1.00 10.00 H new ATOM 847 N ALA A 56 -8.502 5.488 1.497 1.00 10.00 N ATOM 848 CA ALA A 56 -9.003 6.437 2.471 1.00 10.00 C ATOM 849 C ALA A 56 -7.907 6.839 3.455 1.00 10.00 C ATOM 850 O ALA A 56 -7.785 8.013 3.768 1.00 10.00 O ATOM 851 CB ALA A 56 -10.219 5.848 3.189 1.00 10.00 C ATOM 0 H ALA A 56 -9.025 4.613 1.470 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.317 7.344 1.955 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.592 6.565 3.920 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.001 5.631 2.462 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -9.931 4.928 3.697 1.00 10.00 H new ATOM 857 N ASN A 57 -7.100 5.893 3.941 1.00 10.00 N ATOM 858 CA ASN A 57 -6.043 6.191 4.906 1.00 10.00 C ATOM 859 C ASN A 57 -4.942 7.037 4.266 1.00 10.00 C ATOM 860 O ASN A 57 -4.549 8.071 4.809 1.00 10.00 O ATOM 861 CB ASN A 57 -5.471 4.895 5.489 1.00 10.00 C ATOM 862 CG ASN A 57 -6.426 4.277 6.503 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.557 3.941 6.175 1.00 10.00 O ATOM 864 ND2 ASN A 57 -5.985 4.121 7.749 1.00 10.00 N ATOM 0 H ASN A 57 -7.161 4.909 3.679 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.476 6.771 5.721 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.281 4.184 4.685 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.513 5.100 5.966 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -6.594 3.713 8.458 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -5.038 4.410 7.995 1.00 10.00 H new ATOM 871 N PHE A 58 -4.449 6.584 3.111 1.00 10.00 N ATOM 872 CA PHE A 58 -3.445 7.272 2.306 1.00 10.00 C ATOM 873 C PHE A 58 -3.831 8.745 2.121 1.00 10.00 C ATOM 874 O PHE A 58 -3.044 9.656 2.405 1.00 10.00 O ATOM 875 CB PHE A 58 -3.332 6.536 0.960 1.00 10.00 C ATOM 876 CG PHE A 58 -2.332 7.099 -0.032 1.00 10.00 C ATOM 877 CD1 PHE A 58 -0.969 7.109 0.294 1.00 10.00 C ATOM 878 CD2 PHE A 58 -2.735 7.478 -1.326 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.009 7.500 -0.653 1.00 10.00 C ATOM 880 CE2 PHE A 58 -1.774 7.867 -2.277 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.411 7.888 -1.939 1.00 10.00 C ATOM 0 H PHE A 58 -4.749 5.700 2.700 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.475 7.260 2.803 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.069 5.497 1.159 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.315 6.531 0.489 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.654 6.813 1.284 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -3.782 7.470 -1.589 1.00 10.00 H new ATOM 0 HE1 PHE A 58 1.039 7.502 -0.391 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.086 8.151 -3.271 1.00 10.00 H new ATOM 0 HZ PHE A 58 0.324 8.201 -2.666 1.00 10.00 H new ATOM 891 N GLU A 59 -5.068 8.958 1.668 1.00 10.00 N ATOM 892 CA GLU A 59 -5.632 10.273 1.415 1.00 10.00 C ATOM 893 C GLU A 59 -5.884 11.047 2.713 1.00 10.00 C ATOM 894 O GLU A 59 -5.576 12.233 2.787 1.00 10.00 O ATOM 895 CB GLU A 59 -6.923 10.097 0.616 1.00 10.00 C ATOM 896 CG GLU A 59 -6.622 9.577 -0.798 1.00 10.00 C ATOM 897 CD GLU A 59 -6.607 10.706 -1.819 1.00 10.00 C ATOM 898 OE1 GLU A 59 -7.719 11.160 -2.161 1.00 10.00 O ATOM 899 OE2 GLU A 59 -5.499 11.050 -2.286 1.00 10.00 O ATOM 0 H GLU A 59 -5.717 8.198 1.464 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.918 10.865 0.842 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.583 9.400 1.132 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.450 11.049 0.554 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -5.657 9.069 -0.802 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.372 8.839 -1.082 1.00 10.00 H new ATOM 906 N ALA A 60 -6.456 10.392 3.728 1.00 10.00 N ATOM 907 CA ALA A 60 -6.769 10.997 5.018 1.00 10.00 C ATOM 908 C ALA A 60 -5.520 11.624 5.619 1.00 10.00 C ATOM 909 O ALA A 60 -5.557 12.756 6.094 1.00 10.00 O ATOM 910 CB ALA A 60 -7.343 9.958 5.988 1.00 10.00 C ATOM 0 H ALA A 60 -6.718 9.408 3.671 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.520 11.770 4.855 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.568 10.436 6.942 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.257 9.535 5.570 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.614 9.163 6.143 1.00 10.00 H new ATOM 916 N VAL A 61 -4.414 10.878 5.601 1.00 10.00 N ATOM 917 CA VAL A 61 -3.127 11.427 5.983 1.00 10.00 C ATOM 918 C VAL A 61 -2.751 12.553 5.017 1.00 10.00 C ATOM 919 O VAL A 61 -2.426 13.657 5.449 1.00 10.00 O ATOM 920 CB VAL A 61 -2.083 10.306 6.000 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.692 10.913 6.179 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.367 9.312 7.139 1.00 10.00 C ATOM 0 H VAL A 61 -4.391 9.896 5.326 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.172 11.852 6.986 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.132 9.767 5.054 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.053 10.118 6.192 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.483 11.593 5.353 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.653 11.462 7.120 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.613 8.525 7.131 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.336 9.835 8.095 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.354 8.871 6.999 1.00 10.00 H new ATOM 932 N GLY A 62 -2.782 12.263 3.714 1.00 10.00 N ATOM 933 CA GLY A 62 -2.415 13.221 2.685 1.00 10.00 C ATOM 934 C GLY A 62 -0.969 12.992 2.265 1.00 10.00 C ATOM 935 O GLY A 62 -0.127 12.625 3.081 1.00 10.00 O ATOM 0 H GLY A 62 -3.064 11.353 3.349 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.075 13.116 1.824 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.539 14.237 3.059 1.00 10.00 H new ATOM 939 N HIS A 63 -0.691 13.156 0.972 1.00 10.00 N ATOM 940 CA HIS A 63 0.590 12.846 0.365 1.00 10.00 C ATOM 941 C HIS A 63 0.806 13.807 -0.808 1.00 10.00 C ATOM 942 O HIS A 63 -0.147 14.441 -1.261 1.00 10.00 O ATOM 943 CB HIS A 63 0.575 11.388 -0.113 1.00 10.00 C ATOM 944 CG HIS A 63 0.699 10.340 0.971 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.286 9.893 1.827 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.819 9.597 1.222 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.257 8.931 2.596 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.530 8.680 2.239 1.00 10.00 N ATOM 0 H HIS A 63 -1.373 13.518 0.306 1.00 10.00 H new ATOM 0 HA HIS A 63 1.405 12.964 1.079 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.353 11.213 -0.657 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.391 11.249 -0.822 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.248 10.229 1.869 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.769 9.701 0.719 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.262 8.425 3.397 1.00 10.00 H new ATOM 956 N SER A 64 2.048 13.925 -1.289 1.00 10.00 N ATOM 957 CA SER A 64 2.420 14.847 -2.356 1.00 10.00 C ATOM 958 C SER A 64 2.472 14.135 -3.712 1.00 10.00 C ATOM 959 O SER A 64 2.432 12.906 -3.790 1.00 10.00 O ATOM 960 CB SER A 64 3.782 15.466 -2.026 1.00 10.00 C ATOM 961 OG SER A 64 4.780 14.466 -2.110 1.00 10.00 O ATOM 0 H SER A 64 2.831 13.373 -0.940 1.00 10.00 H new ATOM 0 HA SER A 64 1.665 15.630 -2.426 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.004 16.277 -2.719 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.766 15.898 -1.025 1.00 10.00 H new ATOM 0 HG SER A 64 5.654 14.858 -1.901 1.00 10.00 H new ATOM 967 N THR A 65 2.618 14.916 -4.785 1.00 10.00 N ATOM 968 CA THR A 65 2.815 14.437 -6.143 1.00 10.00 C ATOM 969 C THR A 65 3.946 13.408 -6.203 1.00 10.00 C ATOM 970 O THR A 65 3.801 12.357 -6.824 1.00 10.00 O ATOM 971 CB THR A 65 3.154 15.653 -7.015 1.00 10.00 C ATOM 972 OG1 THR A 65 4.058 16.479 -6.302 1.00 10.00 O ATOM 973 CG2 THR A 65 1.901 16.479 -7.315 1.00 10.00 C ATOM 0 H THR A 65 2.601 15.934 -4.723 1.00 10.00 H new ATOM 0 HA THR A 65 1.911 13.944 -6.501 1.00 10.00 H new ATOM 0 HB THR A 65 3.584 15.300 -7.952 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.286 17.261 -6.847 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.169 17.335 -7.935 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.176 15.861 -7.844 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.464 16.830 -6.380 1.00 10.00 H new ATOM 981 N ASP A 66 5.063 13.704 -5.536 1.00 10.00 N ATOM 982 CA ASP A 66 6.209 12.809 -5.469 1.00 10.00 C ATOM 983 C ASP A 66 5.751 11.432 -5.001 1.00 10.00 C ATOM 984 O ASP A 66 6.072 10.417 -5.605 1.00 10.00 O ATOM 985 CB ASP A 66 7.256 13.392 -4.502 1.00 10.00 C ATOM 986 CG ASP A 66 8.700 13.089 -4.894 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.935 12.758 -6.075 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.556 13.225 -3.995 1.00 10.00 O ATOM 0 H ASP A 66 5.194 14.577 -5.026 1.00 10.00 H new ATOM 0 HA ASP A 66 6.662 12.709 -6.456 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.124 14.473 -4.448 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.071 12.998 -3.502 1.00 10.00 H new ATOM 993 N ALA A 67 4.925 11.401 -3.953 1.00 10.00 N ATOM 994 CA ALA A 67 4.360 10.164 -3.431 1.00 10.00 C ATOM 995 C ALA A 67 3.424 9.514 -4.450 1.00 10.00 C ATOM 996 O ALA A 67 3.456 8.296 -4.631 1.00 10.00 O ATOM 997 CB ALA A 67 3.603 10.412 -2.128 1.00 10.00 C ATOM 0 H ALA A 67 4.632 12.235 -3.445 1.00 10.00 H new ATOM 0 HA ALA A 67 5.191 9.487 -3.233 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.192 9.471 -1.761 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.285 10.825 -1.384 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.791 11.117 -2.307 1.00 10.00 H new ATOM 1003 N ARG A 68 2.567 10.322 -5.087 1.00 10.00 N ATOM 1004 CA ARG A 68 1.621 9.850 -6.091 1.00 10.00 C ATOM 1005 C ARG A 68 2.374 9.104 -7.205 1.00 10.00 C ATOM 1006 O ARG A 68 1.915 8.069 -7.691 1.00 10.00 O ATOM 1007 CB ARG A 68 0.816 11.021 -6.687 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.057 11.771 -5.667 1.00 10.00 C ATOM 1009 CD ARG A 68 -1.370 11.047 -5.370 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.270 11.068 -6.535 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.306 10.237 -6.735 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -3.605 9.311 -5.819 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.032 10.341 -7.855 1.00 10.00 N ATOM 0 H ARG A 68 2.515 11.326 -4.915 1.00 10.00 H new ATOM 0 HA ARG A 68 0.919 9.169 -5.610 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.509 11.728 -7.144 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.177 10.640 -7.484 1.00 10.00 H new ATOM 0 HG2 ARG A 68 0.502 11.897 -4.740 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.275 12.770 -6.046 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.162 10.015 -5.087 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -1.863 11.518 -4.519 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.092 11.773 -7.250 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -3.047 9.236 -4.969 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -4.392 8.680 -5.970 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.797 11.049 -8.551 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.820 9.713 -8.012 1.00 10.00 H new ATOM 1027 N GLU A 69 3.532 9.638 -7.605 1.00 10.00 N ATOM 1028 CA GLU A 69 4.368 9.099 -8.666 1.00 10.00 C ATOM 1029 C GLU A 69 5.162 7.902 -8.150 1.00 10.00 C ATOM 1030 O GLU A 69 5.221 6.856 -8.792 1.00 10.00 O ATOM 1031 CB GLU A 69 5.270 10.221 -9.189 1.00 10.00 C ATOM 1032 CG GLU A 69 4.618 10.919 -10.388 1.00 10.00 C ATOM 1033 CD GLU A 69 4.838 10.137 -11.677 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.916 10.300 -12.281 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.911 9.379 -12.040 1.00 10.00 O ATOM 0 H GLU A 69 3.919 10.482 -7.183 1.00 10.00 H new ATOM 0 HA GLU A 69 3.759 8.736 -9.494 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.456 10.945 -8.396 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.237 9.812 -9.481 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.549 11.032 -10.208 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.031 11.922 -10.495 1.00 10.00 H new ATOM 1042 N LEU A 70 5.739 8.038 -6.959 1.00 10.00 N ATOM 1043 CA LEU A 70 6.476 6.980 -6.299 1.00 10.00 C ATOM 1044 C LEU A 70 5.593 5.734 -6.231 1.00 10.00 C ATOM 1045 O LEU A 70 6.000 4.658 -6.661 1.00 10.00 O ATOM 1046 CB LEU A 70 6.944 7.487 -4.930 1.00 10.00 C ATOM 1047 CG LEU A 70 7.853 6.585 -4.073 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.128 5.210 -4.665 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.191 7.240 -3.733 1.00 10.00 C ATOM 0 H LEU A 70 5.703 8.904 -6.421 1.00 10.00 H new ATOM 0 HA LEU A 70 7.372 6.698 -6.852 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.470 8.428 -5.089 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.055 7.714 -4.341 1.00 10.00 H new ATOM 0 HG LEU A 70 7.267 6.446 -3.165 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.776 4.647 -3.993 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.187 4.675 -4.795 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.618 5.322 -5.632 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.787 6.557 -3.128 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.727 7.472 -4.653 1.00 10.00 H new ATOM 0 HD23 LEU A 70 9.015 8.159 -3.174 1.00 10.00 H new ATOM 1061 N SER A 71 4.358 5.886 -5.753 1.00 10.00 N ATOM 1062 CA SER A 71 3.377 4.813 -5.760 1.00 10.00 C ATOM 1063 C SER A 71 3.400 4.071 -7.100 1.00 10.00 C ATOM 1064 O SER A 71 3.576 2.860 -7.095 1.00 10.00 O ATOM 1065 CB SER A 71 1.980 5.326 -5.396 1.00 10.00 C ATOM 1066 OG SER A 71 2.013 5.988 -4.146 1.00 10.00 O ATOM 0 H SER A 71 4.014 6.758 -5.351 1.00 10.00 H new ATOM 0 HA SER A 71 3.648 4.094 -4.987 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.623 6.008 -6.168 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.278 4.493 -5.356 1.00 10.00 H new ATOM 0 HG SER A 71 2.430 6.868 -4.253 1.00 10.00 H new ATOM 1072 N LYS A 72 3.306 4.755 -8.249 1.00 10.00 N ATOM 1073 CA LYS A 72 3.383 4.058 -9.534 1.00 10.00 C ATOM 1074 C LYS A 72 4.629 3.165 -9.648 1.00 10.00 C ATOM 1075 O LYS A 72 4.533 2.046 -10.140 1.00 10.00 O ATOM 1076 CB LYS A 72 3.348 5.005 -10.737 1.00 10.00 C ATOM 1077 CG LYS A 72 1.982 5.646 -10.995 1.00 10.00 C ATOM 1078 CD LYS A 72 1.932 6.043 -12.482 1.00 10.00 C ATOM 1079 CE LYS A 72 1.048 7.268 -12.757 1.00 10.00 C ATOM 1080 NZ LYS A 72 1.855 8.408 -13.238 1.00 10.00 N ATOM 0 H LYS A 72 3.180 5.765 -8.313 1.00 10.00 H new ATOM 0 HA LYS A 72 2.490 3.434 -9.556 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.084 5.795 -10.584 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.652 4.454 -11.627 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.180 4.948 -10.757 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.842 6.521 -10.360 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.944 6.249 -12.829 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.561 5.199 -13.063 1.00 10.00 H new ATOM 0 HE2 LYS A 72 0.291 7.015 -13.500 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.519 7.551 -11.847 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 1.319 9.290 -13.112 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 2.741 8.460 -12.695 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 2.074 8.277 -14.246 1.00 10.00 H new ATOM 1094 N THR A 73 5.791 3.625 -9.180 1.00 10.00 N ATOM 1095 CA THR A 73 7.009 2.815 -9.154 1.00 10.00 C ATOM 1096 C THR A 73 6.838 1.531 -8.327 1.00 10.00 C ATOM 1097 O THR A 73 7.486 0.527 -8.614 1.00 10.00 O ATOM 1098 CB THR A 73 8.214 3.686 -8.738 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.731 4.327 -9.887 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.348 2.926 -8.042 1.00 10.00 C ATOM 0 H THR A 73 5.913 4.567 -8.809 1.00 10.00 H new ATOM 0 HA THR A 73 7.217 2.455 -10.161 1.00 10.00 H new ATOM 0 HB THR A 73 7.833 4.396 -8.003 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.496 4.885 -9.634 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.149 3.620 -7.788 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.969 2.460 -7.132 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.734 2.156 -8.710 1.00 10.00 H new ATOM 1108 N PHE A 74 5.947 1.541 -7.334 1.00 10.00 N ATOM 1109 CA PHE A 74 5.591 0.364 -6.544 1.00 10.00 C ATOM 1110 C PHE A 74 4.333 -0.334 -7.067 1.00 10.00 C ATOM 1111 O PHE A 74 3.884 -1.301 -6.451 1.00 10.00 O ATOM 1112 CB PHE A 74 5.398 0.752 -5.069 1.00 10.00 C ATOM 1113 CG PHE A 74 6.679 1.037 -4.312 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.670 0.042 -4.220 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.829 2.235 -3.591 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.861 0.295 -3.520 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.000 2.467 -2.850 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.036 1.519 -2.855 1.00 10.00 C ATOM 0 H PHE A 74 5.444 2.383 -7.052 1.00 10.00 H new ATOM 0 HA PHE A 74 6.417 -0.342 -6.635 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.761 1.635 -5.021 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.866 -0.053 -4.563 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.514 -0.918 -4.689 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.044 2.977 -3.607 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.641 -0.451 -3.493 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.103 3.376 -2.276 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.966 1.731 -2.348 1.00 10.00 H new ATOM 1128 N ILE A 75 3.726 0.143 -8.158 1.00 10.00 N ATOM 1129 CA ILE A 75 2.512 -0.477 -8.669 1.00 10.00 C ATOM 1130 C ILE A 75 2.824 -1.903 -9.118 1.00 10.00 C ATOM 1131 O ILE A 75 3.831 -2.129 -9.787 1.00 10.00 O ATOM 1132 CB ILE A 75 1.882 0.372 -9.782 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.361 0.312 -9.641 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.355 0.011 -11.197 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.355 1.041 -10.766 1.00 10.00 C ATOM 0 H ILE A 75 4.054 0.946 -8.694 1.00 10.00 H new ATOM 0 HA ILE A 75 1.766 -0.531 -7.876 1.00 10.00 H new ATOM 0 HB ILE A 75 2.225 1.399 -9.652 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.041 -0.730 -9.626 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.070 0.749 -8.686 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.861 0.658 -11.922 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.434 0.147 -11.265 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.106 -1.029 -11.410 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.433 0.968 -10.619 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.059 2.090 -10.766 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.088 0.588 -11.721 1.00 10.00 H new ATOM 1147 N ILE A 76 1.965 -2.861 -8.771 1.00 10.00 N ATOM 1148 CA ILE A 76 2.116 -4.244 -9.223 1.00 10.00 C ATOM 1149 C ILE A 76 0.984 -4.683 -10.151 1.00 10.00 C ATOM 1150 O ILE A 76 1.015 -5.799 -10.678 1.00 10.00 O ATOM 1151 CB ILE A 76 2.247 -5.174 -8.013 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.213 -4.816 -6.934 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.681 -5.100 -7.475 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.018 -5.937 -5.919 1.00 10.00 C ATOM 0 H ILE A 76 1.153 -2.703 -8.175 1.00 10.00 H new ATOM 0 HA ILE A 76 3.029 -4.305 -9.815 1.00 10.00 H new ATOM 0 HB ILE A 76 2.043 -6.201 -8.317 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.532 -3.912 -6.415 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.259 -4.591 -7.410 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.781 -5.760 -6.613 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.378 -5.411 -8.253 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.905 -4.076 -7.176 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.278 -5.633 -5.179 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.672 -6.835 -6.431 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.965 -6.145 -5.421 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.015 -3.821 -10.343 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.150 -4.063 -11.209 1.00 10.00 C ATOM 1168 C GLY A 77 -2.309 -3.210 -10.732 1.00 10.00 C ATOM 1169 O GLY A 77 -2.102 -2.104 -10.230 1.00 10.00 O ATOM 0 H GLY A 77 -0.050 -2.911 -9.883 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.898 -3.818 -12.241 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.423 -5.118 -11.190 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.520 -3.745 -10.869 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.744 -3.079 -10.488 1.00 10.00 C ATOM 1175 C GLU A 78 -5.635 -4.032 -9.698 1.00 10.00 C ATOM 1176 O GLU A 78 -5.392 -5.235 -9.604 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.462 -2.515 -11.726 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.383 -0.985 -11.815 1.00 10.00 C ATOM 1179 CD GLU A 78 -6.488 -0.369 -12.670 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -7.653 -0.832 -12.554 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.142 0.591 -13.393 1.00 10.00 O ATOM 0 H GLU A 78 -3.671 -4.676 -11.258 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.505 -2.235 -9.842 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.023 -2.950 -12.624 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.508 -2.819 -11.703 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.436 -0.567 -10.810 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.414 -0.702 -12.227 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.679 -3.457 -9.122 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.729 -4.178 -8.439 1.00 10.00 C ATOM 1190 C LEU A 79 -8.518 -4.982 -9.474 1.00 10.00 C ATOM 1191 O LEU A 79 -8.905 -4.443 -10.512 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.616 -3.135 -7.771 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.823 -3.731 -7.040 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.455 -4.273 -5.651 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.895 -2.642 -7.021 1.00 10.00 C ATOM 0 H LEU A 79 -6.818 -2.447 -9.120 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.339 -4.869 -7.692 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.018 -2.563 -7.061 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.970 -2.434 -8.527 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.206 -4.611 -7.557 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.344 -4.685 -5.174 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.703 -5.055 -5.753 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.056 -3.464 -5.039 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.783 -3.014 -6.509 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.514 -1.766 -6.496 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.154 -2.368 -8.044 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.768 -6.256 -9.189 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.489 -7.165 -10.070 1.00 10.00 C ATOM 1209 C HIS A 80 -10.861 -6.608 -10.465 1.00 10.00 C ATOM 1210 O HIS A 80 -11.559 -6.028 -9.633 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.613 -8.528 -9.380 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.712 -9.692 -10.325 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.856 -10.373 -10.658 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.668 -10.302 -10.967 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.516 -11.349 -11.514 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.192 -11.342 -11.740 1.00 10.00 N ATOM 0 H HIS A 80 -8.467 -6.694 -8.318 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.929 -7.279 -10.998 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.749 -8.674 -8.731 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.495 -8.519 -8.739 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.626 -10.029 -10.890 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.211 -12.045 -11.960 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.673 -11.970 -12.353 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.289 -6.806 -11.721 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.598 -6.368 -12.169 1.00 10.00 C ATOM 1226 C PRO A 81 -13.749 -7.155 -11.524 1.00 10.00 C ATOM 1227 O PRO A 81 -14.902 -6.793 -11.727 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.578 -6.473 -13.695 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.510 -7.528 -13.977 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.539 -7.410 -12.810 1.00 10.00 C ATOM 0 HA PRO A 81 -12.791 -5.342 -11.856 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.550 -6.773 -14.088 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.328 -5.518 -14.158 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.944 -8.526 -14.033 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.011 -7.343 -14.928 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.154 -8.389 -12.523 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.679 -6.796 -13.079 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.445 -8.209 -10.755 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.424 -8.964 -9.976 1.00 10.00 C ATOM 1240 C ASP A 82 -14.696 -8.297 -8.617 1.00 10.00 C ATOM 1241 O ASP A 82 -15.765 -8.477 -8.043 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.928 -10.406 -9.804 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.043 -11.356 -9.392 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.789 -11.768 -10.306 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.078 -11.707 -8.195 1.00 10.00 O ATOM 0 H ASP A 82 -12.494 -8.564 -10.658 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.372 -8.976 -10.513 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.488 -10.750 -10.740 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.138 -10.429 -9.053 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.722 -7.535 -8.091 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.856 -6.834 -6.818 1.00 10.00 C ATOM 1252 C ASP A 83 -14.797 -5.633 -6.979 1.00 10.00 C ATOM 1253 O ASP A 83 -15.738 -5.466 -6.202 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.453 -6.421 -6.345 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.454 -5.454 -5.168 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.022 -4.353 -5.300 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.801 -5.804 -4.167 1.00 10.00 O ATOM 0 H ASP A 83 -12.819 -7.392 -8.544 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.299 -7.480 -6.060 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.897 -7.316 -6.066 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.921 -5.962 -7.178 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.496 -4.798 -7.978 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.186 -3.537 -8.228 1.00 10.00 C ATOM 1264 C ARG A 84 -16.646 -3.728 -8.650 1.00 10.00 C ATOM 1265 O ARG A 84 -17.391 -2.727 -8.548 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.421 -2.720 -9.281 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.398 -3.410 -10.650 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.471 -2.704 -11.657 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.034 -2.766 -11.294 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.066 -2.041 -11.899 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.394 -1.202 -12.886 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.779 -2.147 -11.548 1.00 10.00 N ATOM 0 H ARG A 84 -13.750 -4.987 -8.647 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.207 -2.991 -7.285 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.882 -1.737 -9.380 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.398 -2.560 -8.940 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.073 -4.443 -10.526 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.410 -3.440 -11.054 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.608 -3.155 -12.640 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.770 -1.659 -11.741 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.759 -3.395 -10.540 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.368 -1.113 -13.177 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.671 -0.651 -13.348 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.504 -2.789 -10.804 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.073 -1.586 -12.024 1.00 10.00 H new