USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0.0387 USER MOD Set 1.2: A 37 THR OG1 : rot -73:sc= 0.0287 USER MOD Single : A 8 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.35) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -159:sc= 0.0663 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -11.4! C(o=-11!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.397 K(o=-0.4,f=-4.1!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 138:sc= 0.282 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.39) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.18) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -7.883 14.635 -9.805 1.00 9.58 N ATOM 2 CA GLU A 4 -8.981 15.240 -8.995 1.00 9.09 C ATOM 3 C GLU A 4 -9.787 14.124 -8.310 1.00 8.06 C ATOM 4 O GLU A 4 -10.928 13.865 -8.651 1.00 8.10 O ATOM 5 CB GLU A 4 -9.900 16.062 -9.912 1.00 9.77 C ATOM 6 CG GLU A 4 -9.298 17.453 -10.132 1.00 10.24 C ATOM 7 CD GLU A 4 -10.136 18.218 -11.160 1.00 11.04 C ATOM 8 OE1 GLU A 4 -11.168 18.748 -10.780 1.00 11.49 O ATOM 9 OE2 GLU A 4 -9.731 18.260 -12.311 1.00 11.36 O ATOM 0 HA GLU A 4 -8.557 15.894 -8.233 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -10.025 15.554 -10.868 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -10.891 16.150 -9.466 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -9.270 18.001 -9.190 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -8.269 17.364 -10.480 1.00 10.24 H new ATOM 16 N LEU A 5 -9.195 13.458 -7.347 1.00 7.36 N ATOM 17 CA LEU A 5 -9.915 12.356 -6.638 1.00 6.53 C ATOM 18 C LEU A 5 -9.301 12.149 -5.248 1.00 6.17 C ATOM 19 O LEU A 5 -8.112 11.926 -5.114 1.00 6.61 O ATOM 20 CB LEU A 5 -9.794 11.061 -7.449 1.00 6.34 C ATOM 21 CG LEU A 5 -11.062 10.219 -7.269 1.00 7.26 C ATOM 22 CD1 LEU A 5 -11.423 9.547 -8.596 1.00 7.60 C ATOM 23 CD2 LEU A 5 -10.815 9.145 -6.203 1.00 7.86 C ATOM 0 H LEU A 5 -8.244 13.631 -7.022 1.00 7.36 H new ATOM 0 HA LEU A 5 -10.967 12.622 -6.532 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -9.647 11.293 -8.504 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -8.921 10.496 -7.122 1.00 6.34 H new ATOM 0 HG LEU A 5 -11.883 10.863 -6.954 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -12.325 8.948 -8.467 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -11.599 10.310 -9.354 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -10.602 8.903 -8.913 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -11.716 8.546 -6.074 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -9.994 8.502 -6.518 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -10.559 9.623 -5.257 1.00 7.86 H new ATOM 35 N ARG A 6 -10.109 12.224 -4.215 1.00 5.61 N ATOM 36 CA ARG A 6 -9.590 12.038 -2.823 1.00 5.48 C ATOM 37 C ARG A 6 -9.070 10.609 -2.626 1.00 4.69 C ATOM 38 O ARG A 6 -9.167 9.771 -3.505 1.00 4.64 O ATOM 39 CB ARG A 6 -10.712 12.313 -1.814 1.00 6.06 C ATOM 40 CG ARG A 6 -11.963 11.495 -2.165 1.00 6.84 C ATOM 41 CD ARG A 6 -12.233 10.468 -1.062 1.00 7.76 C ATOM 42 NE ARG A 6 -13.387 10.919 -0.231 1.00 8.57 N ATOM 43 CZ ARG A 6 -13.372 10.740 1.063 1.00 9.27 C ATOM 44 NH1 ARG A 6 -12.644 11.517 1.825 1.00 9.77 N ATOM 45 NH2 ARG A 6 -14.089 9.783 1.598 1.00 9.70 N ATOM 0 H ARG A 6 -11.110 12.407 -4.278 1.00 5.61 H new ATOM 0 HA ARG A 6 -8.769 12.736 -2.664 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -10.375 12.060 -0.809 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -10.954 13.376 -1.811 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -12.822 12.156 -2.278 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -11.823 10.989 -3.120 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -12.447 9.494 -1.502 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -11.347 10.348 -0.438 1.00 7.76 H new ATOM 0 HE ARG A 6 -14.189 11.368 -0.674 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -12.087 12.263 1.408 1.00 9.77 H new ATOM 0 HH12 ARG A 6 -12.633 11.376 2.835 1.00 9.77 H new ATOM 0 HH21 ARG A 6 -14.658 9.179 1.004 1.00 9.70 H new ATOM 0 HH22 ARG A 6 -14.079 9.642 2.608 1.00 9.70 H new ATOM 59 N CYS A 7 -8.518 10.330 -1.468 1.00 4.47 N ATOM 60 CA CYS A 7 -7.986 8.962 -1.193 1.00 4.05 C ATOM 61 C CYS A 7 -9.141 7.958 -1.174 1.00 4.38 C ATOM 62 O CYS A 7 -10.070 8.083 -0.395 1.00 4.93 O ATOM 63 CB CYS A 7 -7.280 8.945 0.165 1.00 4.32 C ATOM 64 SG CYS A 7 -5.542 9.401 -0.054 1.00 4.79 S ATOM 0 H CYS A 7 -8.414 10.995 -0.701 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.276 8.690 -1.974 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -7.766 9.641 0.849 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.354 7.954 0.613 1.00 4.32 H new ATOM 69 N GLN A 8 -9.088 6.964 -2.026 1.00 4.51 N ATOM 70 CA GLN A 8 -10.174 5.943 -2.068 1.00 5.30 C ATOM 71 C GLN A 8 -10.066 4.977 -0.871 1.00 5.47 C ATOM 72 O GLN A 8 -10.920 4.130 -0.684 1.00 6.21 O ATOM 73 CB GLN A 8 -10.067 5.154 -3.379 1.00 5.63 C ATOM 74 CG GLN A 8 -8.756 4.355 -3.409 1.00 6.22 C ATOM 75 CD GLN A 8 -9.067 2.864 -3.569 1.00 7.21 C ATOM 76 OE1 GLN A 8 -9.577 2.237 -2.660 1.00 7.78 O ATOM 77 NE2 GLN A 8 -8.783 2.263 -4.692 1.00 7.68 N ATOM 0 H GLN A 8 -8.334 6.817 -2.697 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.138 6.449 -2.012 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -10.916 4.478 -3.476 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -10.105 5.837 -4.228 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -8.129 4.696 -4.233 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -8.195 4.523 -2.490 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -8.355 2.786 -5.456 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -8.989 1.270 -4.805 1.00 7.68 H new ATOM 86 N CYS A 9 -9.029 5.088 -0.064 1.00 5.04 N ATOM 87 CA CYS A 9 -8.887 4.166 1.103 1.00 5.45 C ATOM 88 C CYS A 9 -8.751 4.967 2.399 1.00 5.99 C ATOM 89 O CYS A 9 -7.722 5.562 2.668 1.00 6.13 O ATOM 90 CB CYS A 9 -7.644 3.289 0.917 1.00 5.08 C ATOM 91 SG CYS A 9 -8.139 1.642 0.351 1.00 5.12 S ATOM 0 H CYS A 9 -8.282 5.775 -0.167 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.776 3.538 1.164 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.970 3.746 0.192 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.097 3.212 1.857 1.00 5.08 H new ATOM 96 N ILE A 10 -9.777 4.958 3.220 1.00 6.61 N ATOM 97 CA ILE A 10 -9.704 5.684 4.526 1.00 7.44 C ATOM 98 C ILE A 10 -8.690 4.955 5.417 1.00 7.48 C ATOM 99 O ILE A 10 -7.973 5.563 6.190 1.00 8.16 O ATOM 100 CB ILE A 10 -11.086 5.688 5.199 1.00 8.38 C ATOM 101 CG1 ILE A 10 -12.097 6.408 4.297 1.00 8.63 C ATOM 102 CG2 ILE A 10 -11.002 6.415 6.545 1.00 9.31 C ATOM 103 CD1 ILE A 10 -13.092 5.395 3.725 1.00 9.47 C ATOM 0 H ILE A 10 -10.660 4.479 3.040 1.00 6.61 H new ATOM 0 HA ILE A 10 -9.395 6.717 4.369 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.408 4.659 5.360 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -12.627 7.171 4.866 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.577 6.919 3.487 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.983 6.416 7.020 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -10.287 5.904 7.190 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -10.676 7.442 6.384 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -13.808 5.910 3.085 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -12.555 4.648 3.141 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.622 4.905 4.542 1.00 9.47 H new ATOM 115 N LYS A 11 -8.620 3.650 5.285 1.00 6.93 N ATOM 116 CA LYS A 11 -7.651 2.844 6.081 1.00 7.15 C ATOM 117 C LYS A 11 -6.793 2.037 5.101 1.00 6.42 C ATOM 118 O LYS A 11 -7.310 1.337 4.249 1.00 6.35 O ATOM 119 CB LYS A 11 -8.412 1.895 7.014 1.00 8.05 C ATOM 120 CG LYS A 11 -9.230 2.712 8.021 1.00 8.65 C ATOM 121 CD LYS A 11 -10.160 1.782 8.809 1.00 9.04 C ATOM 122 CE LYS A 11 -9.442 1.280 10.065 1.00 9.50 C ATOM 123 NZ LYS A 11 -9.074 -0.154 9.892 1.00 9.69 N ATOM 0 H LYS A 11 -9.204 3.106 4.649 1.00 6.93 H new ATOM 0 HA LYS A 11 -7.021 3.494 6.688 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -9.071 1.249 6.434 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -7.712 1.246 7.540 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -8.563 3.238 8.704 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -9.815 3.470 7.499 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -11.071 2.312 9.086 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -10.459 0.938 8.187 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -8.548 1.876 10.247 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -10.087 1.398 10.936 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -8.587 -0.493 10.746 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -9.935 -0.717 9.738 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -8.444 -0.254 9.071 1.00 9.69 H new ATOM 137 N THR A 12 -5.489 2.144 5.195 1.00 6.02 N ATOM 138 CA THR A 12 -4.605 1.396 4.248 1.00 5.35 C ATOM 139 C THR A 12 -4.260 0.013 4.794 1.00 5.31 C ATOM 140 O THR A 12 -4.733 -0.403 5.836 1.00 5.80 O ATOM 141 CB THR A 12 -3.305 2.171 3.992 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.096 3.141 5.012 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.383 2.850 2.629 1.00 5.32 C ATOM 0 H THR A 12 -5.001 2.715 5.885 1.00 6.02 H new ATOM 0 HA THR A 12 -5.152 1.284 3.312 1.00 5.35 H new ATOM 0 HB THR A 12 -2.466 1.476 4.004 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.482 3.832 4.686 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.461 3.401 2.444 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.516 2.095 1.854 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.227 3.539 2.614 1.00 5.32 H new ATOM 151 N TYR A 13 -3.438 -0.704 4.070 1.00 4.96 N ATOM 152 CA TYR A 13 -3.041 -2.072 4.490 1.00 5.03 C ATOM 153 C TYR A 13 -1.737 -2.014 5.292 1.00 5.08 C ATOM 154 O TYR A 13 -0.673 -1.763 4.752 1.00 4.67 O ATOM 155 CB TYR A 13 -2.841 -2.925 3.233 1.00 4.85 C ATOM 156 CG TYR A 13 -2.917 -4.390 3.565 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.748 -4.843 4.594 1.00 5.34 C ATOM 158 CD2 TYR A 13 -2.151 -5.294 2.827 1.00 5.75 C ATOM 159 CE1 TYR A 13 -3.811 -6.209 4.890 1.00 5.79 C ATOM 160 CE2 TYR A 13 -2.211 -6.662 3.119 1.00 6.30 C ATOM 161 CZ TYR A 13 -3.042 -7.120 4.152 1.00 6.23 C ATOM 162 OH TYR A 13 -3.105 -8.469 4.440 1.00 6.84 O ATOM 0 H TYR A 13 -3.022 -0.390 3.193 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.816 -2.509 5.119 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.602 -2.675 2.493 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.874 -2.699 2.784 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.341 -4.139 5.160 1.00 5.34 H new ATOM 0 HD2 TYR A 13 -1.513 -4.939 2.032 1.00 5.75 H new ATOM 0 HE1 TYR A 13 -4.451 -6.561 5.686 1.00 5.79 H new ATOM 0 HE2 TYR A 13 -1.619 -7.363 2.550 1.00 6.30 H new ATOM 0 HH TYR A 13 -2.511 -8.961 3.835 1.00 6.84 H new ATOM 172 N SER A 14 -1.815 -2.257 6.576 1.00 5.82 N ATOM 173 CA SER A 14 -0.587 -2.238 7.429 1.00 6.06 C ATOM 174 C SER A 14 0.074 -3.622 7.401 1.00 6.51 C ATOM 175 O SER A 14 1.279 -3.739 7.535 1.00 6.88 O ATOM 176 CB SER A 14 -0.965 -1.875 8.869 1.00 6.42 C ATOM 177 OG SER A 14 -1.451 -0.540 8.905 1.00 6.80 O ATOM 0 H SER A 14 -2.680 -2.469 7.073 1.00 5.82 H new ATOM 0 HA SER A 14 0.111 -1.495 7.044 1.00 6.06 H new ATOM 0 HB2 SER A 14 -1.726 -2.561 9.241 1.00 6.42 H new ATOM 0 HB3 SER A 14 -0.098 -1.976 9.521 1.00 6.42 H new ATOM 0 HG SER A 14 -1.695 -0.305 9.825 1.00 6.80 H new ATOM 183 N LYS A 15 -0.698 -4.670 7.211 1.00 6.59 N ATOM 184 CA LYS A 15 -0.102 -6.038 7.157 1.00 7.06 C ATOM 185 C LYS A 15 0.576 -6.213 5.790 1.00 6.32 C ATOM 186 O LYS A 15 0.032 -5.814 4.781 1.00 6.13 O ATOM 187 CB LYS A 15 -1.162 -7.141 7.322 1.00 7.75 C ATOM 188 CG LYS A 15 -2.443 -6.622 8.002 1.00 8.64 C ATOM 189 CD LYS A 15 -2.135 -6.193 9.442 1.00 9.43 C ATOM 190 CE LYS A 15 -3.254 -6.671 10.372 1.00 10.20 C ATOM 191 NZ LYS A 15 -2.920 -8.023 10.907 1.00 10.59 N ATOM 0 H LYS A 15 -1.710 -4.633 7.092 1.00 6.59 H new ATOM 0 HA LYS A 15 0.609 -6.132 7.978 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.413 -7.550 6.343 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.745 -7.957 7.912 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -2.847 -5.779 7.441 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -3.206 -7.400 8.001 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -1.180 -6.612 9.760 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -2.042 -5.108 9.497 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -3.383 -5.966 11.193 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -4.199 -6.707 9.831 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -3.682 -8.345 11.538 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -2.818 -8.693 10.118 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -2.027 -7.975 11.438 1.00 10.59 H new ATOM 205 N PRO A 16 1.751 -6.790 5.804 1.00 6.02 N ATOM 206 CA PRO A 16 2.546 -7.014 4.584 1.00 5.35 C ATOM 207 C PRO A 16 2.099 -8.286 3.854 1.00 5.50 C ATOM 208 O PRO A 16 1.480 -9.162 4.431 1.00 6.37 O ATOM 209 CB PRO A 16 3.970 -7.161 5.122 1.00 5.39 C ATOM 210 CG PRO A 16 3.841 -7.589 6.607 1.00 6.26 C ATOM 211 CD PRO A 16 2.397 -7.269 7.037 1.00 6.51 C ATOM 0 HA PRO A 16 2.442 -6.211 3.854 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.525 -7.905 4.551 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.516 -6.221 5.036 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.053 -8.652 6.723 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.558 -7.052 7.228 1.00 6.26 H new ATOM 0 HD2 PRO A 16 1.895 -8.152 7.433 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.373 -6.511 7.820 1.00 6.51 H new ATOM 219 N PHE A 17 2.419 -8.388 2.586 1.00 4.76 N ATOM 220 CA PHE A 17 2.028 -9.602 1.801 1.00 4.96 C ATOM 221 C PHE A 17 2.892 -9.714 0.531 1.00 4.78 C ATOM 222 O PHE A 17 3.477 -8.747 0.077 1.00 4.77 O ATOM 223 CB PHE A 17 0.527 -9.542 1.445 1.00 4.69 C ATOM 224 CG PHE A 17 0.247 -8.508 0.373 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.338 -7.140 0.666 1.00 3.29 C ATOM 226 CD2 PHE A 17 -0.117 -8.922 -0.915 1.00 3.74 C ATOM 227 CE1 PHE A 17 0.066 -6.191 -0.327 1.00 2.59 C ATOM 228 CE2 PHE A 17 -0.387 -7.973 -1.907 1.00 3.14 C ATOM 229 CZ PHE A 17 -0.296 -6.607 -1.613 1.00 2.38 C ATOM 0 H PHE A 17 2.935 -7.682 2.060 1.00 4.76 H new ATOM 0 HA PHE A 17 2.200 -10.491 2.408 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.195 -10.522 1.101 1.00 4.69 H new ATOM 0 HB3 PHE A 17 -0.050 -9.305 2.339 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.618 -6.818 1.658 1.00 3.29 H new ATOM 0 HD2 PHE A 17 -0.189 -9.975 -1.142 1.00 3.74 H new ATOM 0 HE1 PHE A 17 0.136 -5.137 -0.100 1.00 2.59 H new ATOM 0 HE2 PHE A 17 -0.666 -8.294 -2.900 1.00 3.14 H new ATOM 0 HZ PHE A 17 -0.505 -5.875 -2.379 1.00 2.38 H new ATOM 239 N HIS A 18 2.984 -10.901 -0.027 1.00 4.92 N ATOM 240 CA HIS A 18 3.817 -11.122 -1.252 1.00 5.06 C ATOM 241 C HIS A 18 3.191 -10.385 -2.469 1.00 4.32 C ATOM 242 O HIS A 18 1.984 -10.331 -2.602 1.00 4.10 O ATOM 243 CB HIS A 18 3.936 -12.632 -1.462 1.00 5.95 C ATOM 244 CG HIS A 18 4.436 -12.921 -2.831 1.00 6.25 C ATOM 245 ND1 HIS A 18 5.776 -13.100 -3.129 1.00 6.36 N ATOM 246 CD2 HIS A 18 3.768 -13.051 -3.996 1.00 6.72 C ATOM 247 CE1 HIS A 18 5.856 -13.328 -4.451 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.657 -13.315 -5.016 1.00 7.07 N ATOM 0 H HIS A 18 2.511 -11.735 0.320 1.00 4.92 H new ATOM 0 HA HIS A 18 4.818 -10.706 -1.136 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.614 -13.057 -0.722 1.00 5.95 H new ATOM 0 HB3 HIS A 18 2.965 -13.105 -1.314 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.554 -13.065 -2.471 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.698 -12.962 -4.112 1.00 6.72 H new ATOM 0 HE1 HIS A 18 6.779 -13.500 -4.985 1.00 6.81 H new ATOM 256 N PRO A 19 4.054 -9.780 -3.280 1.00 4.16 N ATOM 257 CA PRO A 19 3.646 -8.957 -4.453 1.00 3.77 C ATOM 258 C PRO A 19 3.181 -9.743 -5.690 1.00 4.27 C ATOM 259 O PRO A 19 2.219 -9.355 -6.316 1.00 4.32 O ATOM 260 CB PRO A 19 4.914 -8.173 -4.798 1.00 3.96 C ATOM 261 CG PRO A 19 6.097 -8.975 -4.218 1.00 4.62 C ATOM 262 CD PRO A 19 5.522 -9.863 -3.101 1.00 4.65 C ATOM 0 HA PRO A 19 2.775 -8.357 -4.189 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.016 -8.056 -5.877 1.00 3.96 H new ATOM 0 HB3 PRO A 19 4.878 -7.171 -4.371 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.569 -9.582 -4.991 1.00 4.62 H new ATOM 0 HG3 PRO A 19 6.863 -8.306 -3.825 1.00 4.62 H new ATOM 0 HD2 PRO A 19 5.875 -10.890 -3.189 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.823 -9.506 -2.116 1.00 4.65 H new ATOM 270 N LYS A 20 3.868 -10.790 -6.091 1.00 4.91 N ATOM 271 CA LYS A 20 3.456 -11.533 -7.342 1.00 5.52 C ATOM 272 C LYS A 20 1.943 -11.832 -7.353 1.00 5.00 C ATOM 273 O LYS A 20 1.346 -11.923 -8.411 1.00 5.39 O ATOM 274 CB LYS A 20 4.247 -12.825 -7.503 1.00 6.44 C ATOM 275 CG LYS A 20 4.303 -13.219 -8.983 1.00 7.16 C ATOM 276 CD LYS A 20 5.059 -14.543 -9.130 1.00 7.91 C ATOM 277 CE LYS A 20 5.386 -14.790 -10.607 1.00 8.41 C ATOM 278 NZ LYS A 20 5.845 -16.198 -10.790 1.00 8.95 N ATOM 0 H LYS A 20 4.689 -11.164 -5.615 1.00 4.91 H new ATOM 0 HA LYS A 20 3.680 -10.882 -8.187 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.257 -12.695 -7.114 1.00 6.44 H new ATOM 0 HB3 LYS A 20 3.782 -13.622 -6.923 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.294 -13.318 -9.383 1.00 7.16 H new ATOM 0 HG3 LYS A 20 4.799 -12.438 -9.560 1.00 7.16 H new ATOM 0 HD2 LYS A 20 5.978 -14.515 -8.544 1.00 7.91 H new ATOM 0 HD3 LYS A 20 4.456 -15.363 -8.739 1.00 7.91 H new ATOM 0 HE2 LYS A 20 4.506 -14.601 -11.221 1.00 8.41 H new ATOM 0 HE3 LYS A 20 6.160 -14.098 -10.939 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 6.066 -16.363 -11.793 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 6.696 -16.363 -10.216 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 5.093 -16.850 -10.489 1.00 8.95 H new ATOM 292 N PHE A 21 1.308 -11.953 -6.203 1.00 4.37 N ATOM 293 CA PHE A 21 -0.168 -12.204 -6.181 1.00 4.15 C ATOM 294 C PHE A 21 -0.878 -11.013 -6.842 1.00 3.56 C ATOM 295 O PHE A 21 -1.863 -11.169 -7.540 1.00 3.88 O ATOM 296 CB PHE A 21 -0.669 -12.317 -4.743 1.00 4.02 C ATOM 297 CG PHE A 21 0.123 -13.330 -3.941 1.00 4.64 C ATOM 298 CD1 PHE A 21 0.667 -14.467 -4.553 1.00 5.12 C ATOM 299 CD2 PHE A 21 0.297 -13.126 -2.567 1.00 5.11 C ATOM 300 CE1 PHE A 21 1.385 -15.395 -3.788 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.014 -14.053 -1.805 1.00 5.85 C ATOM 302 CZ PHE A 21 1.558 -15.188 -2.415 1.00 6.13 C ATOM 0 H PHE A 21 1.750 -11.888 -5.286 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.377 -13.133 -6.712 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.605 -11.342 -4.260 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.721 -12.602 -4.748 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.533 -14.628 -5.613 1.00 5.12 H new ATOM 0 HD2 PHE A 21 -0.124 -12.251 -2.095 1.00 5.11 H new ATOM 0 HE1 PHE A 21 1.806 -16.271 -4.258 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.148 -13.893 -0.745 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.112 -15.905 -1.826 1.00 6.13 H new ATOM 312 N ILE A 22 -0.367 -9.826 -6.614 1.00 2.94 N ATOM 313 CA ILE A 22 -0.962 -8.585 -7.198 1.00 2.62 C ATOM 314 C ILE A 22 -0.900 -8.638 -8.726 1.00 3.41 C ATOM 315 O ILE A 22 0.157 -8.786 -9.312 1.00 4.13 O ATOM 316 CB ILE A 22 -0.163 -7.367 -6.708 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.222 -7.288 -5.178 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.751 -6.088 -7.302 1.00 2.53 C ATOM 319 CD1 ILE A 22 1.039 -6.596 -4.654 1.00 2.47 C ATOM 0 H ILE A 22 0.456 -9.664 -6.034 1.00 2.94 H new ATOM 0 HA ILE A 22 -2.003 -8.507 -6.884 1.00 2.62 H new ATOM 0 HB ILE A 22 0.874 -7.473 -7.027 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -1.109 -6.737 -4.866 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.303 -8.289 -4.754 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.180 -5.228 -6.951 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.702 -6.136 -8.390 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.790 -5.986 -6.989 1.00 2.53 H new ATOM 0 HD11 ILE A 22 0.998 -6.539 -3.566 1.00 2.47 H new ATOM 0 HD12 ILE A 22 1.918 -7.166 -4.955 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.100 -5.589 -5.068 1.00 2.47 H new ATOM 331 N LYS A 23 -2.028 -8.492 -9.369 1.00 3.62 N ATOM 332 CA LYS A 23 -2.058 -8.500 -10.858 1.00 4.61 C ATOM 333 C LYS A 23 -1.952 -7.054 -11.372 1.00 5.00 C ATOM 334 O LYS A 23 -1.547 -6.820 -12.496 1.00 5.88 O ATOM 335 CB LYS A 23 -3.372 -9.124 -11.344 1.00 5.10 C ATOM 336 CG LYS A 23 -3.183 -9.691 -12.756 1.00 5.85 C ATOM 337 CD LYS A 23 -2.430 -11.024 -12.681 1.00 6.35 C ATOM 338 CE LYS A 23 -1.456 -11.130 -13.858 1.00 6.93 C ATOM 339 NZ LYS A 23 -0.358 -12.080 -13.515 1.00 7.72 N ATOM 0 H LYS A 23 -2.936 -8.367 -8.922 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.222 -9.087 -11.238 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -3.684 -9.915 -10.663 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -4.163 -8.374 -11.345 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -4.152 -9.836 -13.233 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.628 -8.983 -13.371 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -1.887 -11.094 -11.739 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -3.136 -11.854 -12.704 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -1.982 -11.473 -14.749 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -1.042 -10.149 -14.090 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 0.302 -12.151 -14.315 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 0.150 -11.735 -12.676 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -0.760 -13.018 -13.314 1.00 7.72 H new ATOM 353 N GLU A 24 -2.312 -6.082 -10.556 1.00 4.51 N ATOM 354 CA GLU A 24 -2.233 -4.654 -10.995 1.00 5.13 C ATOM 355 C GLU A 24 -1.791 -3.772 -9.813 1.00 4.55 C ATOM 356 O GLU A 24 -2.584 -3.443 -8.951 1.00 4.65 O ATOM 357 CB GLU A 24 -3.611 -4.195 -11.481 1.00 5.78 C ATOM 358 CG GLU A 24 -3.820 -4.639 -12.933 1.00 6.35 C ATOM 359 CD GLU A 24 -5.294 -4.474 -13.311 1.00 7.36 C ATOM 360 OE1 GLU A 24 -6.079 -5.337 -12.949 1.00 7.92 O ATOM 361 OE2 GLU A 24 -5.614 -3.489 -13.954 1.00 7.77 O ATOM 0 H GLU A 24 -2.656 -6.222 -9.606 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.509 -4.565 -11.805 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.390 -4.616 -10.846 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.691 -3.110 -11.407 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -3.194 -4.045 -13.599 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -3.517 -5.679 -13.053 1.00 6.35 H new HETATM 368 N MLE A 25 -0.532 -3.389 -9.761 1.00 4.25 N HETATM 369 CN MLE A 25 0.034 -2.880 -11.055 1.00 5.13 C HETATM 370 CA MLE A 25 -0.055 -2.532 -8.619 1.00 3.66 C HETATM 371 CB MLE A 25 1.320 -3.024 -8.139 1.00 3.52 C HETATM 372 CG MLE A 25 1.965 -1.966 -7.226 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.494 -2.630 -5.957 1.00 2.93 C HETATM 374 CD2 MLE A 25 3.120 -1.281 -7.966 1.00 3.54 C HETATM 375 C MLE A 25 0.053 -1.070 -9.073 1.00 4.19 C HETATM 376 O MLE A 25 1.007 -0.683 -9.725 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.868 -2.025 -8.241 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.740 -0.798 -8.866 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.575 -0.532 -7.317 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.671 -3.109 -5.427 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.240 -3.379 -6.222 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.949 -1.876 -5.315 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.293 -1.853 -11.216 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.123 -2.912 -11.013 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.316 -3.506 -11.876 1.00 5.13 H new HETATM 0 HG MLE A 25 1.215 -1.222 -6.957 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.211 -3.965 -7.600 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.965 -3.220 -8.995 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.770 -2.602 -7.800 1.00 3.66 H new ATOM 390 N ARG A 26 -0.911 -0.255 -8.742 1.00 4.14 N ATOM 391 CA ARG A 26 -0.833 1.166 -9.172 1.00 4.79 C ATOM 392 C ARG A 26 -0.944 2.091 -7.951 1.00 4.70 C ATOM 393 O ARG A 26 -1.861 1.981 -7.159 1.00 4.97 O ATOM 394 CB ARG A 26 -1.956 1.479 -10.174 1.00 5.59 C ATOM 395 CG ARG A 26 -3.298 0.946 -9.657 1.00 5.99 C ATOM 396 CD ARG A 26 -4.442 1.632 -10.406 1.00 6.35 C ATOM 397 NE ARG A 26 -4.959 2.775 -9.598 1.00 7.16 N ATOM 398 CZ ARG A 26 -5.911 3.532 -10.074 1.00 7.92 C ATOM 399 NH1 ARG A 26 -7.154 3.124 -10.029 1.00 8.32 N ATOM 400 NH2 ARG A 26 -5.620 4.696 -10.595 1.00 8.52 N ATOM 0 H ARG A 26 -1.737 -0.508 -8.200 1.00 4.14 H new ATOM 0 HA ARG A 26 0.128 1.334 -9.658 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.022 2.556 -10.332 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -1.726 1.029 -11.140 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.352 -0.133 -9.799 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.387 1.131 -8.587 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -4.093 1.988 -11.375 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -5.243 0.918 -10.598 1.00 6.35 H new ATOM 0 HE ARG A 26 -4.569 2.965 -8.675 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -7.378 2.216 -9.622 1.00 8.32 H new ATOM 0 HH12 ARG A 26 -7.898 3.714 -10.400 1.00 8.32 H new ATOM 0 HH21 ARG A 26 -4.651 5.011 -10.629 1.00 8.52 H new ATOM 0 HH22 ARG A 26 -6.362 5.288 -10.967 1.00 8.52 H new ATOM 414 N VAL A 27 -0.009 2.997 -7.794 1.00 4.69 N ATOM 415 CA VAL A 27 -0.039 3.933 -6.631 1.00 4.83 C ATOM 416 C VAL A 27 -0.572 5.304 -7.075 1.00 4.79 C ATOM 417 O VAL A 27 -0.378 5.715 -8.206 1.00 5.45 O ATOM 418 CB VAL A 27 1.383 4.092 -6.074 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.826 2.783 -5.420 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.361 4.446 -7.201 1.00 6.04 C ATOM 0 H VAL A 27 0.779 3.127 -8.428 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.695 3.529 -5.860 1.00 4.83 H new ATOM 0 HB VAL A 27 1.382 4.895 -5.336 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.835 2.897 -5.025 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.144 2.534 -4.607 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.815 1.984 -6.161 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.365 4.555 -6.791 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.359 3.652 -7.948 1.00 6.04 H new ATOM 0 HG23 VAL A 27 2.055 5.383 -7.667 1.00 6.04 H new ATOM 430 N ILE A 28 -1.232 6.019 -6.191 1.00 4.28 N ATOM 431 CA ILE A 28 -1.766 7.368 -6.562 1.00 4.40 C ATOM 432 C ILE A 28 -0.861 8.448 -5.958 1.00 4.70 C ATOM 433 O ILE A 28 -0.374 8.312 -4.850 1.00 5.01 O ATOM 434 CB ILE A 28 -3.196 7.535 -6.027 1.00 4.45 C ATOM 435 CG1 ILE A 28 -4.116 6.505 -6.693 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.704 8.948 -6.345 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.519 6.599 -6.085 1.00 5.05 C ATOM 0 H ILE A 28 -1.422 5.726 -5.233 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.783 7.464 -7.648 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.196 7.382 -4.948 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -4.162 6.684 -7.767 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.715 5.501 -6.554 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.719 9.064 -5.964 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.053 9.684 -5.873 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.702 9.101 -7.424 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -6.171 5.866 -6.560 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.466 6.398 -5.015 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -5.919 7.600 -6.247 1.00 5.05 H new ATOM 449 N GLU A 29 -0.634 9.519 -6.680 1.00 5.08 N ATOM 450 CA GLU A 29 0.237 10.615 -6.162 1.00 5.75 C ATOM 451 C GLU A 29 -0.507 11.406 -5.077 1.00 5.30 C ATOM 452 O GLU A 29 -1.679 11.187 -4.826 1.00 4.95 O ATOM 453 CB GLU A 29 0.601 11.553 -7.314 1.00 6.63 C ATOM 454 CG GLU A 29 1.554 10.844 -8.279 1.00 7.40 C ATOM 455 CD GLU A 29 2.253 11.879 -9.167 1.00 8.35 C ATOM 456 OE1 GLU A 29 3.187 12.505 -8.693 1.00 9.09 O ATOM 457 OE2 GLU A 29 1.841 12.027 -10.307 1.00 8.53 O ATOM 0 H GLU A 29 -1.018 9.680 -7.611 1.00 5.08 H new ATOM 0 HA GLU A 29 1.142 10.185 -5.733 1.00 5.75 H new ATOM 0 HB2 GLU A 29 -0.301 11.863 -7.842 1.00 6.63 H new ATOM 0 HB3 GLU A 29 1.069 12.457 -6.925 1.00 6.63 H new ATOM 0 HG2 GLU A 29 2.294 10.271 -7.720 1.00 7.40 H new ATOM 0 HG3 GLU A 29 1.002 10.135 -8.896 1.00 7.40 H new ATOM 464 N SER A 30 0.167 12.328 -4.436 1.00 5.67 N ATOM 465 CA SER A 30 -0.487 13.144 -3.370 1.00 5.68 C ATOM 466 C SER A 30 -0.765 14.555 -3.901 1.00 6.20 C ATOM 467 O SER A 30 -0.161 15.001 -4.860 1.00 6.77 O ATOM 468 CB SER A 30 0.427 13.231 -2.143 1.00 6.35 C ATOM 469 OG SER A 30 1.788 13.152 -2.548 1.00 7.18 O ATOM 0 H SER A 30 1.148 12.551 -4.607 1.00 5.67 H new ATOM 0 HA SER A 30 -1.426 12.670 -3.084 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.250 14.166 -1.612 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.197 12.422 -1.449 1.00 6.35 H new ATOM 0 HG SER A 30 2.368 13.210 -1.760 1.00 7.18 H new ATOM 475 N GLY A 31 -1.678 15.255 -3.279 1.00 6.36 N ATOM 476 CA GLY A 31 -2.016 16.640 -3.731 1.00 7.19 C ATOM 477 C GLY A 31 -3.081 17.231 -2.796 1.00 7.66 C ATOM 478 O GLY A 31 -3.137 16.882 -1.632 1.00 7.75 O ATOM 0 H GLY A 31 -2.208 14.925 -2.472 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -1.123 17.265 -3.726 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.385 16.621 -4.756 1.00 7.19 H new ATOM 482 N PRO A 32 -3.919 18.090 -3.339 1.00 8.17 N ATOM 483 CA PRO A 32 -5.017 18.714 -2.571 1.00 8.85 C ATOM 484 C PRO A 32 -6.118 17.671 -2.335 1.00 8.11 C ATOM 485 O PRO A 32 -6.742 17.632 -1.290 1.00 8.52 O ATOM 486 CB PRO A 32 -5.490 19.857 -3.477 1.00 9.69 C ATOM 487 CG PRO A 32 -5.034 19.495 -4.909 1.00 9.20 C ATOM 488 CD PRO A 32 -3.857 18.511 -4.757 1.00 8.39 C ATOM 0 HA PRO A 32 -4.726 19.081 -1.587 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.573 19.967 -3.430 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -5.059 20.807 -3.161 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.849 19.041 -5.473 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -4.726 20.387 -5.455 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -3.959 17.660 -5.430 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.905 18.989 -4.990 1.00 8.39 H new ATOM 496 N HIS A 33 -6.327 16.811 -3.304 1.00 7.21 N ATOM 497 CA HIS A 33 -7.347 15.722 -3.185 1.00 6.64 C ATOM 498 C HIS A 33 -7.018 14.839 -1.967 1.00 5.94 C ATOM 499 O HIS A 33 -7.899 14.389 -1.259 1.00 6.05 O ATOM 500 CB HIS A 33 -7.324 14.867 -4.468 1.00 6.27 C ATOM 501 CG HIS A 33 -5.928 14.337 -4.716 1.00 5.79 C ATOM 502 ND1 HIS A 33 -4.938 15.105 -5.315 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.330 13.140 -4.406 1.00 4.91 C ATOM 504 CE1 HIS A 33 -3.810 14.377 -5.334 1.00 6.20 C ATOM 505 NE2 HIS A 33 -3.993 13.168 -4.797 1.00 5.23 N ATOM 0 H HIS A 33 -5.822 16.819 -4.190 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.337 16.158 -3.054 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -8.025 14.037 -4.374 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.651 15.465 -5.319 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -5.822 12.304 -3.931 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -2.870 14.726 -5.735 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.302 12.425 -4.695 1.00 5.23 H new ATOM 513 N CYS A 34 -5.749 14.608 -1.716 1.00 5.51 N ATOM 514 CA CYS A 34 -5.330 13.783 -0.554 1.00 5.12 C ATOM 515 C CYS A 34 -3.917 14.206 -0.137 1.00 5.54 C ATOM 516 O CYS A 34 -2.973 14.078 -0.897 1.00 5.84 O ATOM 517 CB CYS A 34 -5.334 12.293 -0.922 1.00 4.12 C ATOM 518 SG CYS A 34 -5.447 11.311 0.594 1.00 4.37 S ATOM 0 H CYS A 34 -4.979 14.966 -2.282 1.00 5.51 H new ATOM 0 HA CYS A 34 -6.029 13.936 0.268 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.175 12.070 -1.579 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.426 12.038 -1.469 1.00 4.12 H new ATOM 523 N ALA A 35 -3.770 14.721 1.059 1.00 5.90 N ATOM 524 CA ALA A 35 -2.423 15.172 1.534 1.00 6.66 C ATOM 525 C ALA A 35 -1.456 13.984 1.613 1.00 6.33 C ATOM 526 O ALA A 35 -0.297 14.098 1.259 1.00 6.77 O ATOM 527 CB ALA A 35 -2.559 15.811 2.920 1.00 7.59 C ATOM 0 H ALA A 35 -4.527 14.849 1.730 1.00 5.90 H new ATOM 0 HA ALA A 35 -2.027 15.901 0.827 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -1.579 16.140 3.267 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -3.230 16.668 2.861 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -2.965 15.080 3.619 1.00 7.59 H new ATOM 533 N ASN A 36 -1.919 12.852 2.080 1.00 5.85 N ATOM 534 CA ASN A 36 -1.027 11.659 2.192 1.00 5.88 C ATOM 535 C ASN A 36 -1.094 10.825 0.906 1.00 5.34 C ATOM 536 O ASN A 36 -2.126 10.730 0.267 1.00 5.26 O ATOM 537 CB ASN A 36 -1.475 10.804 3.381 1.00 6.50 C ATOM 538 CG ASN A 36 -0.785 11.299 4.656 1.00 7.27 C ATOM 539 OD1 ASN A 36 -1.337 12.097 5.387 1.00 7.78 O ATOM 540 ND2 ASN A 36 0.409 10.859 4.955 1.00 7.61 N ATOM 0 H ASN A 36 -2.879 12.703 2.389 1.00 5.85 H new ATOM 0 HA ASN A 36 -0.000 11.993 2.343 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.558 10.860 3.495 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.227 9.757 3.204 1.00 6.50 H new ATOM 0 HD21 ASN A 36 0.876 11.186 5.801 1.00 7.61 H new ATOM 0 HD22 ASN A 36 0.874 10.189 4.342 1.00 7.61 H new ATOM 547 N THR A 37 0.006 10.212 0.533 1.00 5.30 N ATOM 548 CA THR A 37 0.028 9.367 -0.704 1.00 5.18 C ATOM 549 C THR A 37 -0.572 7.989 -0.376 1.00 4.58 C ATOM 550 O THR A 37 -0.606 7.584 0.772 1.00 4.95 O ATOM 551 CB THR A 37 1.478 9.207 -1.192 1.00 5.98 C ATOM 552 OG1 THR A 37 2.217 10.384 -0.890 1.00 6.76 O ATOM 553 CG2 THR A 37 1.493 8.977 -2.704 1.00 6.31 C ATOM 0 H THR A 37 0.893 10.261 1.035 1.00 5.30 H new ATOM 0 HA THR A 37 -0.558 9.842 -1.491 1.00 5.18 H new ATOM 0 HB THR A 37 1.930 8.352 -0.690 1.00 5.98 H new ATOM 0 HG1 THR A 37 1.947 11.105 -1.497 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.522 8.864 -3.045 1.00 6.31 H new ATOM 0 HG22 THR A 37 0.932 8.073 -2.940 1.00 6.31 H new ATOM 0 HG23 THR A 37 1.036 9.830 -3.206 1.00 6.31 H new ATOM 561 N GLU A 38 -1.058 7.270 -1.364 1.00 3.94 N ATOM 562 CA GLU A 38 -1.664 5.933 -1.079 1.00 3.67 C ATOM 563 C GLU A 38 -1.350 4.945 -2.208 1.00 2.99 C ATOM 564 O GLU A 38 -1.404 5.284 -3.375 1.00 3.33 O ATOM 565 CB GLU A 38 -3.184 6.089 -0.953 1.00 4.35 C ATOM 566 CG GLU A 38 -3.718 5.117 0.105 1.00 4.96 C ATOM 567 CD GLU A 38 -4.913 5.747 0.827 1.00 5.76 C ATOM 568 OE1 GLU A 38 -5.933 5.948 0.186 1.00 6.28 O ATOM 569 OE2 GLU A 38 -4.789 6.016 2.011 1.00 6.10 O ATOM 0 H GLU A 38 -1.060 7.550 -2.345 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.245 5.547 -0.150 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.432 7.114 -0.677 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.660 5.893 -1.914 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -4.017 4.180 -0.365 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -2.933 4.877 0.822 1.00 4.96 H new ATOM 576 N ILE A 39 -1.045 3.717 -1.859 1.00 2.48 N ATOM 577 CA ILE A 39 -0.751 2.682 -2.896 1.00 2.38 C ATOM 578 C ILE A 39 -2.050 1.909 -3.183 1.00 2.16 C ATOM 579 O ILE A 39 -2.974 1.942 -2.391 1.00 2.22 O ATOM 580 CB ILE A 39 0.336 1.731 -2.357 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.683 2.467 -2.302 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.474 0.500 -3.262 1.00 3.44 C ATOM 583 CD1 ILE A 39 2.054 2.768 -0.848 1.00 2.94 C ATOM 0 H ILE A 39 -0.987 3.388 -0.895 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.390 3.140 -3.817 1.00 2.38 H new ATOM 0 HB ILE A 39 0.046 1.406 -1.358 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.459 1.858 -2.766 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.624 3.395 -2.871 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.246 -0.159 -2.865 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.476 -0.034 -3.297 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.750 0.817 -4.268 1.00 3.44 H new ATOM 0 HD11 ILE A 39 3.010 3.290 -0.817 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.284 3.395 -0.398 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.132 1.834 -0.292 1.00 2.94 H new ATOM 595 N ILE A 40 -2.144 1.224 -4.302 1.00 2.34 N ATOM 596 CA ILE A 40 -3.399 0.460 -4.604 1.00 2.36 C ATOM 597 C ILE A 40 -3.077 -0.766 -5.459 1.00 2.37 C ATOM 598 O ILE A 40 -2.898 -0.671 -6.660 1.00 3.02 O ATOM 599 CB ILE A 40 -4.404 1.335 -5.364 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.714 2.599 -4.556 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.695 0.535 -5.579 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.508 3.580 -5.419 1.00 4.01 C ATOM 0 H ILE A 40 -1.414 1.162 -5.012 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.835 0.151 -3.654 1.00 2.36 H new ATOM 0 HB ILE A 40 -3.980 1.626 -6.325 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.284 2.341 -3.663 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.787 3.064 -4.219 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.417 1.148 -6.119 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.475 -0.362 -6.158 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.111 0.250 -4.613 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.727 4.478 -4.841 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -4.922 3.848 -6.298 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.442 3.114 -5.734 1.00 4.01 H new ATOM 614 N VAL A 41 -3.024 -1.921 -4.851 1.00 2.04 N ATOM 615 CA VAL A 41 -2.742 -3.161 -5.618 1.00 2.10 C ATOM 616 C VAL A 41 -4.061 -3.885 -5.915 1.00 2.33 C ATOM 617 O VAL A 41 -5.087 -3.602 -5.322 1.00 2.79 O ATOM 618 CB VAL A 41 -1.826 -4.077 -4.799 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.506 -3.361 -4.502 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.514 -4.471 -3.484 1.00 3.20 C ATOM 0 H VAL A 41 -3.165 -2.056 -3.850 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.248 -2.904 -6.555 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.621 -4.980 -5.375 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.141 -4.017 -3.920 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.013 -3.104 -5.439 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.705 -2.451 -3.935 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.855 -5.122 -2.909 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.733 -3.574 -2.905 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.443 -4.997 -3.703 1.00 3.20 H new ATOM 630 N LYS A 42 -4.035 -4.821 -6.826 1.00 2.44 N ATOM 631 CA LYS A 42 -5.268 -5.582 -7.172 1.00 2.97 C ATOM 632 C LYS A 42 -4.904 -7.063 -7.324 1.00 2.77 C ATOM 633 O LYS A 42 -4.463 -7.496 -8.373 1.00 2.98 O ATOM 634 CB LYS A 42 -5.850 -5.049 -8.488 1.00 3.77 C ATOM 635 CG LYS A 42 -7.170 -4.323 -8.207 1.00 4.68 C ATOM 636 CD LYS A 42 -7.992 -4.236 -9.497 1.00 5.42 C ATOM 637 CE LYS A 42 -7.459 -3.098 -10.374 1.00 5.72 C ATOM 638 NZ LYS A 42 -8.093 -1.810 -9.969 1.00 6.76 N ATOM 0 H LYS A 42 -3.203 -5.093 -7.350 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.013 -5.465 -6.385 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.142 -4.369 -8.962 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -6.016 -5.871 -9.184 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.733 -4.855 -7.440 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -6.972 -3.323 -7.822 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -7.938 -5.181 -10.038 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -9.042 -4.064 -9.260 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -6.376 -3.028 -10.276 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -7.671 -3.305 -11.423 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -7.375 -1.058 -9.959 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -8.843 -1.564 -10.646 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -8.503 -1.909 -9.019 1.00 6.76 H new ATOM 652 N LEU A 43 -5.073 -7.834 -6.274 1.00 3.01 N ATOM 653 CA LEU A 43 -4.733 -9.287 -6.323 1.00 3.31 C ATOM 654 C LEU A 43 -5.416 -9.964 -7.516 1.00 3.92 C ATOM 655 O LEU A 43 -6.538 -9.642 -7.871 1.00 4.54 O ATOM 656 CB LEU A 43 -5.201 -9.957 -5.034 1.00 4.01 C ATOM 657 CG LEU A 43 -4.328 -9.491 -3.858 1.00 3.77 C ATOM 658 CD1 LEU A 43 -4.855 -10.085 -2.550 1.00 4.46 C ATOM 659 CD2 LEU A 43 -2.883 -9.950 -4.078 1.00 3.91 C ATOM 0 H LEU A 43 -5.436 -7.511 -5.377 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.653 -9.389 -6.432 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.245 -9.710 -4.844 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.143 -11.041 -5.135 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.362 -8.403 -3.799 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.231 -9.750 -1.721 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -5.881 -9.755 -2.388 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -4.828 -11.173 -2.608 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.265 -9.619 -3.243 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -2.853 -11.038 -4.143 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.502 -9.520 -5.004 1.00 3.91 H new ATOM 671 N SER A 44 -4.731 -10.900 -8.129 1.00 3.99 N ATOM 672 CA SER A 44 -5.287 -11.627 -9.308 1.00 4.72 C ATOM 673 C SER A 44 -6.575 -12.376 -8.935 1.00 5.55 C ATOM 674 O SER A 44 -7.415 -12.617 -9.782 1.00 6.08 O ATOM 675 CB SER A 44 -4.247 -12.621 -9.836 1.00 4.98 C ATOM 676 OG SER A 44 -3.745 -13.404 -8.760 1.00 5.08 O ATOM 0 H SER A 44 -3.794 -11.194 -7.855 1.00 3.99 H new ATOM 0 HA SER A 44 -5.526 -10.897 -10.082 1.00 4.72 H new ATOM 0 HB2 SER A 44 -4.697 -13.267 -10.590 1.00 4.98 H new ATOM 0 HB3 SER A 44 -3.431 -12.085 -10.321 1.00 4.98 H new ATOM 0 HG SER A 44 -3.081 -14.040 -9.100 1.00 5.08 H new ATOM 682 N ASP A 45 -6.748 -12.736 -7.680 1.00 5.91 N ATOM 683 CA ASP A 45 -7.991 -13.452 -7.271 1.00 7.02 C ATOM 684 C ASP A 45 -9.209 -12.518 -7.414 1.00 7.25 C ATOM 685 O ASP A 45 -10.342 -12.957 -7.347 1.00 8.19 O ATOM 686 CB ASP A 45 -7.863 -13.927 -5.811 1.00 7.64 C ATOM 687 CG ASP A 45 -8.114 -12.759 -4.844 1.00 8.01 C ATOM 688 OD1 ASP A 45 -7.168 -12.050 -4.547 1.00 8.63 O ATOM 689 OD2 ASP A 45 -9.247 -12.598 -4.415 1.00 7.89 O ATOM 0 H ASP A 45 -6.081 -12.563 -6.928 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.132 -14.318 -7.918 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -8.578 -14.727 -5.618 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -6.869 -14.340 -5.642 1.00 7.64 H new ATOM 694 N GLY A 46 -8.979 -11.235 -7.600 1.00 6.57 N ATOM 695 CA GLY A 46 -10.106 -10.270 -7.738 1.00 7.07 C ATOM 696 C GLY A 46 -10.227 -9.445 -6.454 1.00 6.74 C ATOM 697 O GLY A 46 -11.315 -9.072 -6.056 1.00 7.17 O ATOM 0 H GLY A 46 -8.050 -10.819 -7.662 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.935 -9.613 -8.591 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.036 -10.805 -7.929 1.00 7.07 H new ATOM 701 N ARG A 47 -9.123 -9.163 -5.797 1.00 6.21 N ATOM 702 CA ARG A 47 -9.183 -8.370 -4.535 1.00 6.07 C ATOM 703 C ARG A 47 -8.511 -7.005 -4.743 1.00 5.32 C ATOM 704 O ARG A 47 -7.688 -6.837 -5.619 1.00 5.06 O ATOM 705 CB ARG A 47 -8.444 -9.143 -3.437 1.00 6.43 C ATOM 706 CG ARG A 47 -8.895 -8.660 -2.054 1.00 7.27 C ATOM 707 CD ARG A 47 -10.192 -9.370 -1.658 1.00 7.96 C ATOM 708 NE ARG A 47 -10.504 -9.077 -0.230 1.00 8.82 N ATOM 709 CZ ARG A 47 -11.707 -8.698 0.114 1.00 9.62 C ATOM 710 NH1 ARG A 47 -12.669 -9.580 0.213 1.00 10.15 N ATOM 711 NH2 ARG A 47 -11.947 -7.435 0.362 1.00 10.10 N ATOM 0 H ARG A 47 -8.187 -9.450 -6.084 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.222 -8.211 -4.248 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.640 -10.210 -3.539 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.368 -9.004 -3.546 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.118 -8.862 -1.316 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.049 -7.581 -2.067 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.011 -9.037 -2.296 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -10.090 -10.445 -1.806 1.00 7.96 H new ATOM 0 HE ARG A 47 -9.778 -9.172 0.480 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -12.480 -10.564 0.022 1.00 10.15 H new ATOM 0 HH12 ARG A 47 -13.607 -9.283 0.481 1.00 10.15 H new ATOM 0 HH21 ARG A 47 -11.196 -6.749 0.287 1.00 10.10 H new ATOM 0 HH22 ARG A 47 -12.885 -7.137 0.631 1.00 10.10 H new ATOM 725 N GLU A 48 -8.854 -6.035 -3.931 1.00 5.24 N ATOM 726 CA GLU A 48 -8.231 -4.682 -4.049 1.00 4.73 C ATOM 727 C GLU A 48 -7.849 -4.207 -2.647 1.00 4.69 C ATOM 728 O GLU A 48 -8.690 -4.081 -1.775 1.00 5.44 O ATOM 729 CB GLU A 48 -9.221 -3.697 -4.681 1.00 5.60 C ATOM 730 CG GLU A 48 -8.471 -2.427 -5.099 1.00 5.76 C ATOM 731 CD GLU A 48 -9.392 -1.531 -5.933 1.00 6.79 C ATOM 732 OE1 GLU A 48 -9.434 -1.718 -7.139 1.00 7.12 O ATOM 733 OE2 GLU A 48 -10.035 -0.672 -5.352 1.00 7.44 O ATOM 0 H GLU A 48 -9.545 -6.125 -3.186 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.347 -4.734 -4.684 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -9.702 -4.152 -5.547 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.011 -3.450 -3.971 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -8.128 -1.889 -4.215 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -7.585 -2.690 -5.676 1.00 5.76 H new ATOM 740 N LEU A 49 -6.584 -3.959 -2.421 1.00 4.08 N ATOM 741 CA LEU A 49 -6.137 -3.508 -1.072 1.00 4.35 C ATOM 742 C LEU A 49 -5.163 -2.347 -1.222 1.00 3.99 C ATOM 743 O LEU A 49 -4.131 -2.482 -1.839 1.00 3.87 O ATOM 744 CB LEU A 49 -5.404 -4.653 -0.364 1.00 4.67 C ATOM 745 CG LEU A 49 -6.239 -5.190 0.801 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.298 -6.159 0.278 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.321 -5.932 1.776 1.00 4.69 C ATOM 0 H LEU A 49 -5.842 -4.050 -3.115 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.009 -3.202 -0.495 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.201 -5.456 -1.073 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.440 -4.302 0.004 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.729 -4.358 1.307 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.889 -6.537 1.112 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.951 -5.640 -0.423 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.811 -6.992 -0.229 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.910 -6.317 2.609 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.836 -6.761 1.260 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.562 -5.247 2.154 1.00 4.69 H new ATOM 759 N CYS A 50 -5.457 -1.221 -0.634 1.00 3.99 N ATOM 760 CA CYS A 50 -4.515 -0.075 -0.722 1.00 3.63 C ATOM 761 C CYS A 50 -3.409 -0.309 0.299 1.00 3.49 C ATOM 762 O CYS A 50 -3.654 -0.827 1.369 1.00 4.14 O ATOM 763 CB CYS A 50 -5.226 1.228 -0.415 1.00 3.72 C ATOM 764 SG CYS A 50 -6.875 1.233 -1.170 1.00 4.64 S ATOM 0 H CYS A 50 -6.307 -1.047 -0.098 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.107 -0.005 -1.730 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.311 1.359 0.664 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.642 2.067 -0.793 1.00 3.72 H new ATOM 769 N LEU A 51 -2.199 0.036 -0.026 1.00 2.91 N ATOM 770 CA LEU A 51 -1.081 -0.202 0.918 1.00 2.96 C ATOM 771 C LEU A 51 -0.705 1.079 1.645 1.00 3.35 C ATOM 772 O LEU A 51 -0.969 2.184 1.196 1.00 3.56 O ATOM 773 CB LEU A 51 0.132 -0.734 0.167 1.00 2.71 C ATOM 774 CG LEU A 51 -0.138 -2.155 -0.343 1.00 2.56 C ATOM 775 CD1 LEU A 51 -1.135 -2.119 -1.498 1.00 2.98 C ATOM 776 CD2 LEU A 51 1.174 -2.780 -0.823 1.00 2.61 C ATOM 0 H LEU A 51 -1.936 0.474 -0.909 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.408 -0.939 1.652 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.366 -0.078 -0.671 1.00 2.71 H new ATOM 0 HB3 LEU A 51 1.003 -0.735 0.823 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.556 -2.751 0.468 1.00 2.56 H new ATOM 0 HD11 LEU A 51 -1.319 -3.133 -1.852 1.00 2.98 H new ATOM 0 HD12 LEU A 51 -2.072 -1.678 -1.156 1.00 2.98 H new ATOM 0 HD13 LEU A 51 -0.727 -1.519 -2.312 1.00 2.98 H new ATOM 0 HD21 LEU A 51 0.984 -3.790 -1.186 1.00 2.61 H new ATOM 0 HD22 LEU A 51 1.591 -2.177 -1.630 1.00 2.61 H new ATOM 0 HD23 LEU A 51 1.883 -2.819 0.004 1.00 2.61 H new ATOM 788 N ASP A 52 -0.079 0.905 2.774 1.00 3.84 N ATOM 789 CA ASP A 52 0.352 2.052 3.615 1.00 4.35 C ATOM 790 C ASP A 52 1.870 2.248 3.472 1.00 4.47 C ATOM 791 O ASP A 52 2.643 1.384 3.852 1.00 4.73 O ATOM 792 CB ASP A 52 0.002 1.738 5.079 1.00 4.93 C ATOM 793 CG ASP A 52 0.027 3.016 5.934 1.00 5.39 C ATOM 794 OD1 ASP A 52 -0.244 4.083 5.403 1.00 5.96 O ATOM 795 OD2 ASP A 52 0.305 2.899 7.115 1.00 5.40 O ATOM 0 H ASP A 52 0.157 -0.010 3.158 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.153 2.965 3.300 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -0.986 1.280 5.131 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.711 1.013 5.480 1.00 4.93 H new ATOM 800 N PRO A 53 2.257 3.388 2.937 1.00 4.54 N ATOM 801 CA PRO A 53 3.682 3.717 2.734 1.00 4.96 C ATOM 802 C PRO A 53 4.400 3.959 4.072 1.00 5.21 C ATOM 803 O PRO A 53 5.608 4.104 4.109 1.00 5.67 O ATOM 804 CB PRO A 53 3.646 4.978 1.864 1.00 5.26 C ATOM 805 CG PRO A 53 2.248 5.605 2.065 1.00 5.04 C ATOM 806 CD PRO A 53 1.324 4.456 2.511 1.00 4.55 C ATOM 0 HA PRO A 53 4.240 2.907 2.264 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.431 5.675 2.158 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.814 4.732 0.816 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.279 6.394 2.816 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.888 6.058 1.142 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.671 4.764 3.327 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.681 4.122 1.697 1.00 4.55 H new ATOM 814 N LYS A 54 3.675 3.986 5.173 1.00 5.18 N ATOM 815 CA LYS A 54 4.323 4.194 6.496 1.00 5.61 C ATOM 816 C LYS A 54 5.299 3.043 6.781 1.00 5.02 C ATOM 817 O LYS A 54 6.303 3.230 7.443 1.00 5.42 O ATOM 818 CB LYS A 54 3.257 4.237 7.594 1.00 6.23 C ATOM 819 CG LYS A 54 2.829 5.688 7.843 1.00 7.12 C ATOM 820 CD LYS A 54 3.559 6.238 9.070 1.00 7.85 C ATOM 821 CE LYS A 54 2.741 5.942 10.331 1.00 8.63 C ATOM 822 NZ LYS A 54 3.365 6.620 11.503 1.00 9.56 N ATOM 0 H LYS A 54 2.662 3.872 5.202 1.00 5.18 H new ATOM 0 HA LYS A 54 4.867 5.138 6.481 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.394 3.639 7.300 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.650 3.801 8.513 1.00 6.23 H new ATOM 0 HG2 LYS A 54 3.055 6.299 6.969 1.00 7.12 H new ATOM 0 HG3 LYS A 54 1.751 5.738 7.997 1.00 7.12 H new ATOM 0 HD2 LYS A 54 4.547 5.785 9.151 1.00 7.85 H new ATOM 0 HD3 LYS A 54 3.708 7.313 8.965 1.00 7.85 H new ATOM 0 HE2 LYS A 54 1.716 6.289 10.201 1.00 8.63 H new ATOM 0 HE3 LYS A 54 2.695 4.867 10.502 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 2.808 6.418 12.358 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 4.336 6.269 11.631 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 3.387 7.647 11.339 1.00 9.56 H new ATOM 836 N GLU A 55 5.022 1.856 6.277 1.00 4.37 N ATOM 837 CA GLU A 55 5.942 0.712 6.513 1.00 4.14 C ATOM 838 C GLU A 55 7.032 0.713 5.445 1.00 3.84 C ATOM 839 O GLU A 55 6.963 1.429 4.463 1.00 3.83 O ATOM 840 CB GLU A 55 5.171 -0.608 6.407 1.00 4.19 C ATOM 841 CG GLU A 55 4.414 -0.900 7.701 1.00 4.76 C ATOM 842 CD GLU A 55 5.402 -1.039 8.863 1.00 5.39 C ATOM 843 OE1 GLU A 55 6.027 -2.082 8.964 1.00 5.43 O ATOM 844 OE2 GLU A 55 5.517 -0.098 9.632 1.00 6.13 O ATOM 0 H GLU A 55 4.198 1.641 5.715 1.00 4.37 H new ATOM 0 HA GLU A 55 6.379 0.810 7.507 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.470 -0.559 5.574 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.863 -1.422 6.194 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.707 -0.097 7.908 1.00 4.76 H new ATOM 0 HG3 GLU A 55 3.834 -1.816 7.594 1.00 4.76 H new ATOM 851 N ASN A 56 8.017 -0.118 5.620 1.00 3.90 N ATOM 852 CA ASN A 56 9.109 -0.220 4.611 1.00 3.93 C ATOM 853 C ASN A 56 8.808 -1.392 3.670 1.00 3.74 C ATOM 854 O ASN A 56 9.374 -1.493 2.601 1.00 3.89 O ATOM 855 CB ASN A 56 10.439 -0.453 5.309 1.00 4.29 C ATOM 856 CG ASN A 56 11.379 0.721 5.022 1.00 4.70 C ATOM 857 OD1 ASN A 56 12.261 0.619 4.191 1.00 4.90 O ATOM 858 ND2 ASN A 56 11.229 1.842 5.676 1.00 5.15 N ATOM 0 H ASN A 56 8.115 -0.737 6.425 1.00 3.90 H new ATOM 0 HA ASN A 56 9.168 0.707 4.041 1.00 3.93 H new ATOM 0 HB2 ASN A 56 10.285 -0.555 6.383 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.886 -1.384 4.961 1.00 4.29 H new ATOM 0 HD21 ASN A 56 11.851 2.629 5.489 1.00 5.15 H new ATOM 0 HD22 ASN A 56 10.490 1.931 6.374 1.00 5.15 H new ATOM 865 N TRP A 57 7.916 -2.277 4.065 1.00 3.55 N ATOM 866 CA TRP A 57 7.569 -3.436 3.211 1.00 3.47 C ATOM 867 C TRP A 57 6.679 -2.979 2.058 1.00 3.28 C ATOM 868 O TRP A 57 6.802 -3.458 0.957 1.00 3.48 O ATOM 869 CB TRP A 57 6.871 -4.509 4.058 1.00 3.64 C ATOM 870 CG TRP A 57 5.452 -4.156 4.367 1.00 3.70 C ATOM 871 CD1 TRP A 57 5.029 -3.672 5.543 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.268 -4.272 3.523 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.662 -3.509 5.495 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.146 -3.849 4.267 1.00 3.80 C ATOM 875 CE3 TRP A 57 4.060 -4.697 2.202 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.860 -3.852 3.726 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.773 -4.695 1.650 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.672 -4.273 2.410 1.00 3.38 C ATOM 0 H TRP A 57 7.416 -2.234 4.953 1.00 3.55 H new ATOM 0 HA TRP A 57 8.476 -3.868 2.789 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.899 -5.461 3.528 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.420 -4.646 4.990 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.658 -3.446 6.391 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.099 -3.176 6.278 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.898 -5.028 1.607 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 1.018 -3.531 4.321 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.627 -5.021 0.631 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.682 -4.274 1.977 1.00 3.38 H new ATOM 889 N VAL A 58 5.787 -2.054 2.301 1.00 3.02 N ATOM 890 CA VAL A 58 4.900 -1.565 1.198 1.00 2.84 C ATOM 891 C VAL A 58 5.763 -0.883 0.130 1.00 2.99 C ATOM 892 O VAL A 58 5.592 -1.110 -1.052 1.00 3.21 O ATOM 893 CB VAL A 58 3.885 -0.563 1.766 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.347 0.345 0.657 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.721 -1.313 2.403 1.00 2.85 C ATOM 0 H VAL A 58 5.633 -1.617 3.210 1.00 3.02 H new ATOM 0 HA VAL A 58 4.363 -2.403 0.753 1.00 2.84 H new ATOM 0 HB VAL A 58 4.388 0.048 2.515 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.629 1.048 1.079 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.172 0.896 0.205 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.856 -0.262 -0.104 1.00 2.80 H new ATOM 0 HG21 VAL A 58 2.003 -0.598 2.805 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.233 -1.933 1.651 1.00 2.85 H new ATOM 0 HG23 VAL A 58 3.093 -1.945 3.209 1.00 2.85 H new ATOM 905 N GLN A 59 6.690 -0.054 0.543 1.00 3.12 N ATOM 906 CA GLN A 59 7.569 0.643 -0.436 1.00 3.61 C ATOM 907 C GLN A 59 8.615 -0.333 -0.999 1.00 3.90 C ATOM 908 O GLN A 59 9.103 -0.152 -2.098 1.00 4.47 O ATOM 909 CB GLN A 59 8.251 1.827 0.248 1.00 3.82 C ATOM 910 CG GLN A 59 9.204 1.308 1.311 1.00 4.33 C ATOM 911 CD GLN A 59 9.850 2.482 2.053 1.00 4.72 C ATOM 912 OE1 GLN A 59 9.309 2.974 3.022 1.00 4.84 O ATOM 913 NE2 GLN A 59 10.993 2.956 1.634 1.00 5.29 N ATOM 0 H GLN A 59 6.873 0.168 1.521 1.00 3.12 H new ATOM 0 HA GLN A 59 6.966 1.012 -1.266 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.795 2.422 -0.486 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.505 2.481 0.699 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.666 0.674 2.015 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.975 0.690 0.850 1.00 4.33 H new ATOM 0 HE21 GLN A 59 11.449 2.543 0.820 1.00 5.29 H new ATOM 0 HE22 GLN A 59 11.430 3.739 2.121 1.00 5.29 H new ATOM 922 N ARG A 60 8.942 -1.378 -0.271 1.00 3.65 N ATOM 923 CA ARG A 60 9.932 -2.372 -0.781 1.00 3.97 C ATOM 924 C ARG A 60 9.201 -3.354 -1.691 1.00 3.96 C ATOM 925 O ARG A 60 9.707 -3.754 -2.720 1.00 4.42 O ATOM 926 CB ARG A 60 10.561 -3.130 0.392 1.00 4.07 C ATOM 927 CG ARG A 60 11.818 -2.393 0.862 1.00 4.60 C ATOM 928 CD ARG A 60 12.271 -2.956 2.213 1.00 4.81 C ATOM 929 NE ARG A 60 12.638 -4.393 2.059 1.00 5.26 N ATOM 930 CZ ARG A 60 12.296 -5.259 2.977 1.00 5.84 C ATOM 931 NH1 ARG A 60 11.037 -5.578 3.138 1.00 6.25 N ATOM 932 NH2 ARG A 60 13.214 -5.805 3.733 1.00 6.35 N ATOM 0 H ARG A 60 8.563 -1.581 0.654 1.00 3.65 H new ATOM 0 HA ARG A 60 10.722 -1.862 -1.332 1.00 3.97 H new ATOM 0 HB2 ARG A 60 9.847 -3.211 1.211 1.00 4.07 H new ATOM 0 HB3 ARG A 60 10.814 -4.146 0.088 1.00 4.07 H new ATOM 0 HG2 ARG A 60 12.614 -2.504 0.125 1.00 4.60 H new ATOM 0 HG3 ARG A 60 11.614 -1.326 0.952 1.00 4.60 H new ATOM 0 HD2 ARG A 60 13.125 -2.390 2.586 1.00 4.81 H new ATOM 0 HD3 ARG A 60 11.473 -2.851 2.948 1.00 4.81 H new ATOM 0 HE ARG A 60 13.157 -4.701 1.236 1.00 5.26 H new ATOM 0 HH11 ARG A 60 10.323 -5.151 2.548 1.00 6.25 H new ATOM 0 HH12 ARG A 60 10.770 -6.254 3.854 1.00 6.25 H new ATOM 0 HH21 ARG A 60 14.195 -5.555 3.606 1.00 6.35 H new ATOM 0 HH22 ARG A 60 12.949 -6.481 4.450 1.00 6.35 H new ATOM 946 N VAL A 61 8.000 -3.730 -1.319 1.00 3.58 N ATOM 947 CA VAL A 61 7.203 -4.670 -2.156 1.00 3.55 C ATOM 948 C VAL A 61 6.820 -3.963 -3.462 1.00 3.25 C ATOM 949 O VAL A 61 6.862 -4.549 -4.525 1.00 3.52 O ATOM 950 CB VAL A 61 5.943 -5.083 -1.381 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.953 -5.775 -2.314 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.332 -6.047 -0.255 1.00 4.31 C ATOM 0 H VAL A 61 7.538 -3.421 -0.464 1.00 3.58 H new ATOM 0 HA VAL A 61 7.783 -5.563 -2.389 1.00 3.55 H new ATOM 0 HB VAL A 61 5.476 -4.191 -0.963 1.00 3.59 H new ATOM 0 HG11 VAL A 61 4.064 -6.063 -1.753 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.671 -5.093 -3.116 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.416 -6.664 -2.741 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.439 -6.341 0.297 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.804 -6.932 -0.681 1.00 4.31 H new ATOM 0 HG23 VAL A 61 7.030 -5.554 0.421 1.00 4.31 H new ATOM 962 N VAL A 62 6.467 -2.699 -3.387 1.00 2.99 N ATOM 963 CA VAL A 62 6.103 -1.941 -4.622 1.00 3.22 C ATOM 964 C VAL A 62 7.363 -1.773 -5.483 1.00 3.80 C ATOM 965 O VAL A 62 7.328 -1.958 -6.686 1.00 4.15 O ATOM 966 CB VAL A 62 5.538 -0.563 -4.235 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.440 0.332 -5.476 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.142 -0.734 -3.629 1.00 3.34 C ATOM 0 H VAL A 62 6.416 -2.162 -2.521 1.00 2.99 H new ATOM 0 HA VAL A 62 5.344 -2.483 -5.186 1.00 3.22 H new ATOM 0 HB VAL A 62 6.204 -0.100 -3.507 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.039 1.305 -5.192 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.431 0.461 -5.911 1.00 4.40 H new ATOM 0 HG13 VAL A 62 4.780 -0.133 -6.208 1.00 4.40 H new ATOM 0 HG21 VAL A 62 3.742 0.242 -3.355 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.483 -1.204 -4.359 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.205 -1.362 -2.741 1.00 3.34 H new ATOM 978 N GLU A 63 8.476 -1.433 -4.871 1.00 4.04 N ATOM 979 CA GLU A 63 9.742 -1.261 -5.635 1.00 4.68 C ATOM 980 C GLU A 63 10.170 -2.607 -6.231 1.00 4.70 C ATOM 981 O GLU A 63 10.524 -2.688 -7.388 1.00 5.23 O ATOM 982 CB GLU A 63 10.837 -0.741 -4.699 1.00 5.11 C ATOM 983 CG GLU A 63 10.742 0.784 -4.595 1.00 5.73 C ATOM 984 CD GLU A 63 11.766 1.295 -3.577 1.00 6.00 C ATOM 985 OE1 GLU A 63 12.926 1.413 -3.940 1.00 6.46 O ATOM 986 OE2 GLU A 63 11.374 1.563 -2.452 1.00 6.04 O ATOM 0 H GLU A 63 8.555 -1.268 -3.868 1.00 4.04 H new ATOM 0 HA GLU A 63 9.585 -0.544 -6.441 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.729 -1.190 -3.712 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.818 -1.030 -5.075 1.00 5.11 H new ATOM 0 HG2 GLU A 63 10.926 1.237 -5.569 1.00 5.73 H new ATOM 0 HG3 GLU A 63 9.736 1.076 -4.292 1.00 5.73 H new ATOM 993 N LYS A 64 10.129 -3.666 -5.452 1.00 4.35 N ATOM 994 CA LYS A 64 10.518 -5.007 -5.977 1.00 4.71 C ATOM 995 C LYS A 64 9.553 -5.421 -7.100 1.00 4.54 C ATOM 996 O LYS A 64 9.922 -6.132 -8.015 1.00 5.00 O ATOM 997 CB LYS A 64 10.457 -6.037 -4.844 1.00 4.74 C ATOM 998 CG LYS A 64 11.436 -7.182 -5.129 1.00 5.62 C ATOM 999 CD LYS A 64 12.228 -7.507 -3.858 1.00 6.24 C ATOM 1000 CE LYS A 64 11.363 -8.343 -2.911 1.00 7.07 C ATOM 1001 NZ LYS A 64 11.550 -9.793 -3.208 1.00 7.79 N ATOM 0 H LYS A 64 9.841 -3.654 -4.473 1.00 4.35 H new ATOM 0 HA LYS A 64 11.533 -4.961 -6.372 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.705 -5.562 -3.895 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.444 -6.428 -4.750 1.00 4.74 H new ATOM 0 HG2 LYS A 64 10.892 -8.064 -5.466 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.117 -6.901 -5.932 1.00 5.62 H new ATOM 0 HD2 LYS A 64 13.136 -8.053 -4.113 1.00 6.24 H new ATOM 0 HD3 LYS A 64 12.538 -6.585 -3.365 1.00 6.24 H new ATOM 0 HE2 LYS A 64 11.635 -8.136 -1.876 1.00 7.07 H new ATOM 0 HE3 LYS A 64 10.314 -8.071 -3.025 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 10.961 -10.358 -2.563 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 11.270 -9.985 -4.191 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 12.550 -10.048 -3.077 1.00 7.79 H new ATOM 1015 N PHE A 65 8.320 -4.970 -7.031 1.00 4.02 N ATOM 1016 CA PHE A 65 7.314 -5.315 -8.077 1.00 3.99 C ATOM 1017 C PHE A 65 7.669 -4.613 -9.394 1.00 4.72 C ATOM 1018 O PHE A 65 7.740 -5.239 -10.436 1.00 5.31 O ATOM 1019 CB PHE A 65 5.932 -4.843 -7.608 1.00 3.16 C ATOM 1020 CG PHE A 65 4.846 -5.570 -8.369 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.632 -5.289 -9.724 1.00 2.97 C ATOM 1022 CD2 PHE A 65 4.051 -6.520 -7.719 1.00 3.45 C ATOM 1023 CE1 PHE A 65 3.625 -5.958 -10.428 1.00 3.10 C ATOM 1024 CE2 PHE A 65 3.045 -7.190 -8.423 1.00 3.48 C ATOM 1025 CZ PHE A 65 2.831 -6.909 -9.778 1.00 3.19 C ATOM 0 H PHE A 65 7.969 -4.371 -6.284 1.00 4.02 H new ATOM 0 HA PHE A 65 7.309 -6.393 -8.238 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.821 -5.025 -6.539 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.836 -3.768 -7.760 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.245 -4.555 -10.226 1.00 2.97 H new ATOM 0 HD2 PHE A 65 4.214 -6.736 -6.673 1.00 3.45 H new ATOM 0 HE1 PHE A 65 3.461 -5.740 -11.473 1.00 3.10 H new ATOM 0 HE2 PHE A 65 2.433 -7.925 -7.921 1.00 3.48 H new ATOM 0 HZ PHE A 65 2.054 -7.426 -10.321 1.00 3.19 H new ATOM 1035 N LEU A 66 7.880 -3.317 -9.356 1.00 4.92 N ATOM 1036 CA LEU A 66 8.215 -2.571 -10.610 1.00 5.86 C ATOM 1037 C LEU A 66 9.727 -2.614 -10.858 1.00 6.61 C ATOM 1038 O LEU A 66 10.183 -3.180 -11.833 1.00 7.33 O ATOM 1039 CB LEU A 66 7.756 -1.114 -10.478 1.00 6.18 C ATOM 1040 CG LEU A 66 6.268 -1.008 -10.823 1.00 7.14 C ATOM 1041 CD1 LEU A 66 5.680 0.246 -10.173 1.00 7.61 C ATOM 1042 CD2 LEU A 66 6.100 -0.921 -12.344 1.00 7.67 C ATOM 0 H LEU A 66 7.835 -2.746 -8.512 1.00 4.92 H new ATOM 0 HA LEU A 66 7.704 -3.039 -11.451 1.00 5.86 H new ATOM 0 HB2 LEU A 66 7.930 -0.759 -9.462 1.00 6.18 H new ATOM 0 HB3 LEU A 66 8.340 -0.477 -11.143 1.00 6.18 H new ATOM 0 HG LEU A 66 5.746 -1.889 -10.449 1.00 7.14 H new ATOM 0 HD11 LEU A 66 4.621 0.321 -10.419 1.00 7.61 H new ATOM 0 HD12 LEU A 66 5.798 0.184 -9.091 1.00 7.61 H new ATOM 0 HD13 LEU A 66 6.202 1.128 -10.545 1.00 7.61 H new ATOM 0 HD21 LEU A 66 5.041 -0.846 -12.589 1.00 7.67 H new ATOM 0 HD22 LEU A 66 6.623 -0.041 -12.718 1.00 7.67 H new ATOM 0 HD23 LEU A 66 6.517 -1.815 -12.808 1.00 7.67 H new ATOM 1054 N LYS A 67 10.504 -2.019 -9.985 1.00 6.57 N ATOM 1055 CA LYS A 67 11.989 -2.021 -10.167 1.00 7.47 C ATOM 1056 C LYS A 67 12.556 -3.409 -9.840 1.00 7.85 C ATOM 1057 O LYS A 67 11.882 -4.251 -9.274 1.00 8.14 O ATOM 1058 CB LYS A 67 12.621 -0.979 -9.237 1.00 7.84 C ATOM 1059 CG LYS A 67 12.662 0.382 -9.940 1.00 8.78 C ATOM 1060 CD LYS A 67 13.878 0.447 -10.868 1.00 9.42 C ATOM 1061 CE LYS A 67 14.317 1.905 -11.037 1.00 10.12 C ATOM 1062 NZ LYS A 67 15.180 2.032 -12.247 1.00 10.40 N ATOM 0 H LYS A 67 10.172 -1.531 -9.153 1.00 6.57 H new ATOM 0 HA LYS A 67 12.221 -1.775 -11.203 1.00 7.47 H new ATOM 0 HB2 LYS A 67 12.046 -0.905 -8.314 1.00 7.84 H new ATOM 0 HB3 LYS A 67 13.629 -1.287 -8.961 1.00 7.84 H new ATOM 0 HG2 LYS A 67 11.747 0.534 -10.512 1.00 8.78 H new ATOM 0 HG3 LYS A 67 12.713 1.182 -9.202 1.00 8.78 H new ATOM 0 HD2 LYS A 67 14.695 -0.144 -10.455 1.00 9.42 H new ATOM 0 HD3 LYS A 67 13.631 0.016 -11.838 1.00 9.42 H new ATOM 0 HE2 LYS A 67 13.443 2.550 -11.132 1.00 10.12 H new ATOM 0 HE3 LYS A 67 14.862 2.236 -10.153 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 15.477 3.022 -12.359 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 16.020 1.429 -12.139 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 14.645 1.733 -13.088 1.00 10.40 H new ATOM 1076 N ARG A 68 13.794 -3.649 -10.194 1.00 8.12 N ATOM 1077 CA ARG A 68 14.420 -4.977 -9.910 1.00 8.78 C ATOM 1078 C ARG A 68 15.080 -4.951 -8.524 1.00 8.99 C ATOM 1079 O ARG A 68 15.179 -3.913 -7.894 1.00 8.81 O ATOM 1080 CB ARG A 68 15.479 -5.283 -10.977 1.00 9.33 C ATOM 1081 CG ARG A 68 14.819 -5.351 -12.359 1.00 9.61 C ATOM 1082 CD ARG A 68 14.209 -6.738 -12.574 1.00 10.05 C ATOM 1083 NE ARG A 68 13.528 -6.780 -13.901 1.00 10.53 N ATOM 1084 CZ ARG A 68 14.223 -6.977 -14.990 1.00 10.90 C ATOM 1085 NH1 ARG A 68 14.620 -8.184 -15.303 1.00 11.35 N ATOM 1086 NH2 ARG A 68 14.523 -5.966 -15.765 1.00 11.02 N ATOM 0 H ARG A 68 14.400 -2.980 -10.669 1.00 8.12 H new ATOM 0 HA ARG A 68 13.652 -5.750 -9.929 1.00 8.78 H new ATOM 0 HB2 ARG A 68 16.250 -4.512 -10.969 1.00 9.33 H new ATOM 0 HB3 ARG A 68 15.972 -6.229 -10.752 1.00 9.33 H new ATOM 0 HG2 ARG A 68 14.046 -4.587 -12.441 1.00 9.61 H new ATOM 0 HG3 ARG A 68 15.556 -5.143 -13.135 1.00 9.61 H new ATOM 0 HD2 ARG A 68 14.987 -7.500 -12.528 1.00 10.05 H new ATOM 0 HD3 ARG A 68 13.496 -6.961 -11.780 1.00 10.05 H new ATOM 0 HE ARG A 68 12.517 -6.655 -13.958 1.00 10.53 H new ATOM 0 HH11 ARG A 68 14.387 -8.971 -14.697 1.00 11.35 H new ATOM 0 HH12 ARG A 68 15.162 -8.338 -16.153 1.00 11.35 H new ATOM 0 HH21 ARG A 68 14.214 -5.025 -15.519 1.00 11.02 H new ATOM 0 HH22 ARG A 68 15.065 -6.119 -16.615 1.00 11.02 H new ATOM 1100 N ALA A 69 15.533 -6.085 -8.049 1.00 9.61 N ATOM 1101 CA ALA A 69 16.192 -6.136 -6.709 1.00 10.14 C ATOM 1102 C ALA A 69 17.713 -6.102 -6.890 1.00 10.89 C ATOM 1103 O ALA A 69 18.283 -6.940 -7.565 1.00 11.20 O ATOM 1104 CB ALA A 69 15.788 -7.425 -5.988 1.00 10.08 C ATOM 0 H ALA A 69 15.474 -6.980 -8.534 1.00 9.61 H new ATOM 0 HA ALA A 69 15.878 -5.278 -6.115 1.00 10.14 H new ATOM 0 HB1 ALA A 69 16.269 -7.461 -5.011 1.00 10.08 H new ATOM 0 HB2 ALA A 69 14.706 -7.447 -5.861 1.00 10.08 H new ATOM 0 HB3 ALA A 69 16.101 -8.286 -6.579 1.00 10.08 H new ATOM 1110 N GLU A 70 18.373 -5.138 -6.292 1.00 11.37 N ATOM 1111 CA GLU A 70 19.860 -5.044 -6.429 1.00 12.24 C ATOM 1112 C GLU A 70 20.451 -4.296 -5.225 1.00 12.45 C ATOM 1113 O GLU A 70 19.777 -3.525 -4.566 1.00 12.32 O ATOM 1114 CB GLU A 70 20.214 -4.295 -7.721 1.00 12.79 C ATOM 1115 CG GLU A 70 19.560 -2.907 -7.722 1.00 12.48 C ATOM 1116 CD GLU A 70 18.811 -2.695 -9.040 1.00 13.18 C ATOM 1117 OE1 GLU A 70 19.445 -2.296 -10.003 1.00 13.63 O ATOM 1118 OE2 GLU A 70 17.615 -2.933 -9.063 1.00 13.39 O ATOM 0 H GLU A 70 17.945 -4.413 -5.716 1.00 11.37 H new ATOM 0 HA GLU A 70 20.277 -6.050 -6.466 1.00 12.24 H new ATOM 0 HB2 GLU A 70 21.296 -4.196 -7.808 1.00 12.79 H new ATOM 0 HB3 GLU A 70 19.876 -4.866 -8.586 1.00 12.79 H new ATOM 0 HG2 GLU A 70 18.871 -2.817 -6.882 1.00 12.48 H new ATOM 0 HG3 GLU A 70 20.320 -2.136 -7.595 1.00 12.48 H new ATOM 1125 N ASN A 71 21.712 -4.519 -4.943 1.00 12.96 N ATOM 1126 CA ASN A 71 22.365 -3.829 -3.791 1.00 13.39 C ATOM 1127 C ASN A 71 23.229 -2.674 -4.316 1.00 13.77 C ATOM 1128 O ASN A 71 24.380 -2.857 -4.672 1.00 13.98 O ATOM 1129 CB ASN A 71 23.241 -4.831 -3.027 1.00 13.14 C ATOM 1130 CG ASN A 71 23.389 -4.381 -1.570 1.00 12.70 C ATOM 1131 OD1 ASN A 71 22.408 -4.163 -0.886 1.00 12.77 O ATOM 1132 ND2 ASN A 71 24.582 -4.235 -1.059 1.00 12.41 N ATOM 0 H ASN A 71 22.318 -5.152 -5.465 1.00 12.96 H new ATOM 0 HA ASN A 71 21.604 -3.433 -3.118 1.00 13.39 H new ATOM 0 HB2 ASN A 71 22.794 -5.824 -3.067 1.00 13.14 H new ATOM 0 HB3 ASN A 71 24.222 -4.904 -3.497 1.00 13.14 H new ATOM 0 HD21 ASN A 71 24.688 -3.939 -0.089 1.00 12.41 H new ATOM 0 HD22 ASN A 71 25.407 -4.417 -1.630 1.00 12.41 H new ATOM 1139 N SER A 72 22.678 -1.485 -4.371 1.00 14.02 N ATOM 1140 CA SER A 72 23.458 -0.313 -4.874 1.00 14.59 C ATOM 1141 C SER A 72 24.069 0.444 -3.687 1.00 15.09 C ATOM 1142 O SER A 72 23.312 0.976 -2.887 1.00 15.38 O ATOM 1143 CB SER A 72 22.531 0.617 -5.661 1.00 14.66 C ATOM 1144 OG SER A 72 22.219 0.019 -6.913 1.00 14.60 O ATOM 1145 OXT SER A 72 25.287 0.471 -3.594 1.00 15.30 O ATOM 0 H SER A 72 21.720 -1.277 -4.089 1.00 14.02 H new ATOM 0 HA SER A 72 24.258 -0.661 -5.528 1.00 14.59 H new ATOM 0 HB2 SER A 72 21.618 0.803 -5.096 1.00 14.66 H new ATOM 0 HB3 SER A 72 23.012 1.583 -5.816 1.00 14.66 H new ATOM 0 HG SER A 72 21.624 0.611 -7.419 1.00 14.60 H new TER 1151 SER A 72