USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 580 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 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -120:sc= 0.0951 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 8 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.019) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.27) USER MOD Single : A 12 THR OG1 : rot 167:sc= 0.0936 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= -12! C(o=-12!,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= -0.885 K(o=-0.89,f=-3.5!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (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= -1.33 X(o=-1.3,f=-1.2) 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 ----------------------------------------------------------------- ATOM 1 N GLU A 4 -10.811 16.825 -8.660 1.00 9.58 N ATOM 2 CA GLU A 4 -9.896 16.662 -7.491 1.00 9.09 C ATOM 3 C GLU A 4 -9.721 15.170 -7.175 1.00 8.06 C ATOM 4 O GLU A 4 -8.630 14.639 -7.270 1.00 8.10 O ATOM 5 CB GLU A 4 -10.484 17.387 -6.274 1.00 9.77 C ATOM 6 CG GLU A 4 -9.366 17.709 -5.278 1.00 10.24 C ATOM 7 CD GLU A 4 -9.800 18.856 -4.361 1.00 11.04 C ATOM 8 OE1 GLU A 4 -9.570 19.998 -4.723 1.00 11.49 O ATOM 9 OE2 GLU A 4 -10.354 18.572 -3.311 1.00 11.36 O ATOM 0 HA GLU A 4 -8.923 17.092 -7.730 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -10.979 18.305 -6.589 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -11.241 16.764 -5.798 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -9.131 16.826 -4.684 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -8.458 17.984 -5.814 1.00 10.24 H new ATOM 15 N LEU A 5 -10.791 14.492 -6.809 1.00 7.36 N ATOM 16 CA LEU A 5 -10.713 13.030 -6.487 1.00 6.53 C ATOM 17 C LEU A 5 -9.830 12.811 -5.247 1.00 6.17 C ATOM 18 O LEU A 5 -8.637 12.586 -5.349 1.00 6.61 O ATOM 19 CB LEU A 5 -10.134 12.263 -7.692 1.00 6.34 C ATOM 20 CG LEU A 5 -10.840 10.909 -7.856 1.00 7.26 C ATOM 21 CD1 LEU A 5 -10.638 10.053 -6.600 1.00 7.60 C ATOM 22 CD2 LEU A 5 -12.340 11.130 -8.089 1.00 7.86 C ATOM 0 H LEU A 5 -11.723 14.897 -6.720 1.00 7.36 H new ATOM 0 HA LEU A 5 -11.715 12.656 -6.275 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -10.254 12.855 -8.599 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -9.064 12.108 -7.552 1.00 6.34 H new ATOM 0 HG LEU A 5 -10.412 10.391 -8.714 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -11.143 9.095 -6.727 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -9.573 9.884 -6.443 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -11.055 10.571 -5.736 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -12.836 10.166 -8.205 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -12.767 11.658 -7.236 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -12.484 11.723 -8.992 1.00 7.86 H new ATOM 34 N ARG A 6 -10.420 12.875 -4.073 1.00 5.61 N ATOM 35 CA ARG A 6 -9.644 12.672 -2.811 1.00 5.48 C ATOM 36 C ARG A 6 -9.160 11.218 -2.709 1.00 4.69 C ATOM 37 O ARG A 6 -9.327 10.431 -3.624 1.00 4.64 O ATOM 38 CB ARG A 6 -10.537 13.000 -1.607 1.00 6.06 C ATOM 39 CG ARG A 6 -11.790 12.115 -1.617 1.00 6.84 C ATOM 40 CD ARG A 6 -13.039 12.993 -1.499 1.00 7.76 C ATOM 41 NE ARG A 6 -14.217 12.141 -1.167 1.00 8.57 N ATOM 42 CZ ARG A 6 -14.633 12.052 0.070 1.00 9.27 C ATOM 43 NH1 ARG A 6 -15.501 12.917 0.530 1.00 9.70 N ATOM 44 NH2 ARG A 6 -14.180 11.099 0.844 1.00 9.77 N ATOM 0 H ARG A 6 -11.414 13.061 -3.938 1.00 5.61 H new ATOM 0 HA ARG A 6 -8.776 13.332 -2.819 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -9.982 12.846 -0.681 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -10.825 14.051 -1.635 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -11.829 11.532 -2.537 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -11.753 11.405 -0.791 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -12.894 13.748 -0.727 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -13.213 13.524 -2.435 1.00 7.76 H new ATOM 0 HE ARG A 6 -14.699 11.627 -1.905 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -15.852 13.659 -0.076 1.00 9.70 H new ATOM 0 HH12 ARG A 6 -15.827 12.849 1.494 1.00 9.70 H new ATOM 0 HH21 ARG A 6 -13.503 10.427 0.483 1.00 9.77 H new ATOM 0 HH22 ARG A 6 -14.504 11.028 1.809 1.00 9.77 H new ATOM 58 N CYS A 7 -8.562 10.860 -1.597 1.00 4.47 N ATOM 59 CA CYS A 7 -8.065 9.463 -1.425 1.00 4.05 C ATOM 60 C CYS A 7 -9.246 8.491 -1.441 1.00 4.38 C ATOM 61 O CYS A 7 -10.137 8.566 -0.612 1.00 4.93 O ATOM 62 CB CYS A 7 -7.328 9.333 -0.090 1.00 4.32 C ATOM 63 SG CYS A 7 -5.577 9.730 -0.322 1.00 4.79 S ATOM 0 H CYS A 7 -8.398 11.478 -0.802 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.383 9.227 -2.242 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -7.769 10.004 0.647 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.433 8.320 0.298 1.00 4.32 H new ATOM 68 N GLN A 8 -9.254 7.573 -2.374 1.00 4.51 N ATOM 69 CA GLN A 8 -10.363 6.582 -2.455 1.00 5.30 C ATOM 70 C GLN A 8 -10.187 5.485 -1.383 1.00 5.47 C ATOM 71 O GLN A 8 -11.014 4.600 -1.263 1.00 6.21 O ATOM 72 CB GLN A 8 -10.356 5.945 -3.851 1.00 5.63 C ATOM 73 CG GLN A 8 -9.048 5.172 -4.071 1.00 6.22 C ATOM 74 CD GLN A 8 -8.523 5.437 -5.486 1.00 7.21 C ATOM 75 OE1 GLN A 8 -8.723 4.638 -6.378 1.00 7.78 O ATOM 76 NE2 GLN A 8 -7.850 6.531 -5.730 1.00 7.68 N ATOM 0 H GLN A 8 -8.533 7.469 -3.088 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.312 7.088 -2.278 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -11.207 5.272 -3.957 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -10.464 6.718 -4.612 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -8.305 5.478 -3.334 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -9.217 4.105 -3.929 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -7.681 7.203 -4.982 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -7.494 6.712 -6.669 1.00 7.68 H new ATOM 85 N CYS A 9 -9.118 5.530 -0.610 1.00 5.04 N ATOM 86 CA CYS A 9 -8.897 4.489 0.433 1.00 5.45 C ATOM 87 C CYS A 9 -8.814 5.150 1.812 1.00 5.99 C ATOM 88 O CYS A 9 -7.814 5.749 2.166 1.00 6.13 O ATOM 89 CB CYS A 9 -7.588 3.758 0.132 1.00 5.08 C ATOM 90 SG CYS A 9 -7.915 2.372 -0.985 1.00 5.12 S ATOM 0 H CYS A 9 -8.394 6.247 -0.664 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.725 3.780 0.429 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.872 4.443 -0.321 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.140 3.396 1.057 1.00 5.08 H new ATOM 95 N ILE A 10 -9.861 5.032 2.593 1.00 6.61 N ATOM 96 CA ILE A 10 -9.857 5.635 3.962 1.00 7.44 C ATOM 97 C ILE A 10 -8.884 4.853 4.857 1.00 7.48 C ATOM 98 O ILE A 10 -8.264 5.408 5.745 1.00 8.16 O ATOM 99 CB ILE A 10 -11.273 5.573 4.557 1.00 8.38 C ATOM 100 CG1 ILE A 10 -12.228 6.419 3.705 1.00 8.63 C ATOM 101 CG2 ILE A 10 -11.261 6.114 5.992 1.00 9.31 C ATOM 102 CD1 ILE A 10 -13.618 5.780 3.702 1.00 9.47 C ATOM 0 H ILE A 10 -10.720 4.543 2.340 1.00 6.61 H new ATOM 0 HA ILE A 10 -9.540 6.676 3.902 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.609 4.536 4.564 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -12.284 7.433 4.102 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.850 6.496 2.685 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -12.268 6.067 6.407 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -10.588 5.511 6.602 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -10.918 7.149 5.988 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -14.294 6.383 3.096 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -13.556 4.775 3.285 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.996 5.726 4.723 1.00 9.47 H new ATOM 114 N LYS A 11 -8.746 3.569 4.620 1.00 6.93 N ATOM 115 CA LYS A 11 -7.813 2.738 5.444 1.00 7.15 C ATOM 116 C LYS A 11 -6.779 2.077 4.526 1.00 6.42 C ATOM 117 O LYS A 11 -6.960 2.007 3.322 1.00 6.35 O ATOM 118 CB LYS A 11 -8.609 1.655 6.182 1.00 8.05 C ATOM 119 CG LYS A 11 -9.365 2.282 7.358 1.00 8.65 C ATOM 120 CD LYS A 11 -10.643 1.484 7.635 1.00 9.04 C ATOM 121 CE LYS A 11 -11.775 2.441 8.016 1.00 9.50 C ATOM 122 NZ LYS A 11 -12.487 2.891 6.785 1.00 9.69 N ATOM 0 H LYS A 11 -9.242 3.060 3.888 1.00 6.93 H new ATOM 0 HA LYS A 11 -7.304 3.371 6.171 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -9.311 1.177 5.499 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -7.936 0.877 6.543 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -8.732 2.293 8.245 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -9.614 3.319 7.131 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -10.922 0.908 6.753 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -10.470 0.770 8.440 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -12.473 1.945 8.691 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -11.373 3.302 8.550 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -12.867 3.848 6.934 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -11.823 2.903 5.985 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -13.268 2.237 6.577 1.00 9.69 H new ATOM 136 N THR A 12 -5.692 1.594 5.081 1.00 6.02 N ATOM 137 CA THR A 12 -4.643 0.941 4.238 1.00 5.35 C ATOM 138 C THR A 12 -4.306 -0.454 4.771 1.00 5.31 C ATOM 139 O THR A 12 -5.005 -1.006 5.601 1.00 5.80 O ATOM 140 CB THR A 12 -3.373 1.799 4.203 1.00 5.23 C ATOM 141 OG1 THR A 12 -3.367 2.723 5.285 1.00 5.90 O ATOM 142 CG2 THR A 12 -3.318 2.547 2.877 1.00 5.32 C ATOM 0 H THR A 12 -5.487 1.624 6.080 1.00 6.02 H new ATOM 0 HA THR A 12 -5.038 0.844 3.227 1.00 5.35 H new ATOM 0 HB THR A 12 -2.499 1.155 4.300 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.474 3.118 5.373 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.418 3.161 2.842 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.301 1.831 2.056 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.196 3.186 2.783 1.00 5.32 H new ATOM 150 N TYR A 13 -3.247 -1.032 4.260 1.00 4.96 N ATOM 151 CA TYR A 13 -2.846 -2.399 4.674 1.00 5.03 C ATOM 152 C TYR A 13 -1.556 -2.348 5.498 1.00 5.08 C ATOM 153 O TYR A 13 -0.529 -1.885 5.035 1.00 4.67 O ATOM 154 CB TYR A 13 -2.612 -3.230 3.408 1.00 4.85 C ATOM 155 CG TYR A 13 -2.740 -4.700 3.701 1.00 5.22 C ATOM 156 CD1 TYR A 13 -3.614 -5.151 4.696 1.00 5.75 C ATOM 157 CD2 TYR A 13 -1.979 -5.610 2.966 1.00 5.34 C ATOM 158 CE1 TYR A 13 -3.724 -6.521 4.958 1.00 6.30 C ATOM 159 CE2 TYR A 13 -2.087 -6.983 3.225 1.00 5.79 C ATOM 160 CZ TYR A 13 -2.960 -7.438 4.223 1.00 6.23 C ATOM 161 OH TYR A 13 -3.069 -8.791 4.477 1.00 6.84 O ATOM 0 H TYR A 13 -2.639 -0.602 3.563 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.629 -2.845 5.287 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.332 -2.944 2.642 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.620 -3.020 3.008 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.203 -4.443 5.261 1.00 5.75 H new ATOM 0 HD2 TYR A 13 -1.307 -5.256 2.198 1.00 5.34 H new ATOM 0 HE1 TYR A 13 -4.397 -6.872 5.726 1.00 6.30 H new ATOM 0 HE2 TYR A 13 -1.499 -7.689 2.657 1.00 5.79 H new ATOM 0 HH TYR A 13 -2.471 -9.285 3.878 1.00 6.84 H new ATOM 171 N SER A 14 -1.604 -2.841 6.710 1.00 5.82 N ATOM 172 CA SER A 14 -0.384 -2.851 7.572 1.00 6.06 C ATOM 173 C SER A 14 0.282 -4.231 7.491 1.00 6.51 C ATOM 174 O SER A 14 1.488 -4.348 7.614 1.00 6.88 O ATOM 175 CB SER A 14 -0.769 -2.547 9.021 1.00 6.42 C ATOM 176 OG SER A 14 0.339 -1.947 9.682 1.00 6.80 O ATOM 0 H SER A 14 -2.439 -3.238 7.141 1.00 5.82 H new ATOM 0 HA SER A 14 0.313 -2.089 7.223 1.00 6.06 H new ATOM 0 HB2 SER A 14 -1.630 -1.879 9.049 1.00 6.42 H new ATOM 0 HB3 SER A 14 -1.060 -3.464 9.533 1.00 6.42 H new ATOM 0 HG SER A 14 0.098 -1.749 10.611 1.00 6.80 H new ATOM 182 N LYS A 15 -0.489 -5.275 7.267 1.00 6.59 N ATOM 183 CA LYS A 15 0.108 -6.641 7.160 1.00 7.06 C ATOM 184 C LYS A 15 0.763 -6.777 5.780 1.00 6.32 C ATOM 185 O LYS A 15 0.209 -6.336 4.794 1.00 6.13 O ATOM 186 CB LYS A 15 -0.952 -7.744 7.308 1.00 7.75 C ATOM 187 CG LYS A 15 -2.193 -7.258 8.078 1.00 8.64 C ATOM 188 CD LYS A 15 -1.807 -6.900 9.517 1.00 9.43 C ATOM 189 CE LYS A 15 -2.939 -7.306 10.464 1.00 10.20 C ATOM 190 NZ LYS A 15 -2.374 -7.655 11.799 1.00 10.59 N ATOM 0 H LYS A 15 -1.502 -5.235 7.155 1.00 6.59 H new ATOM 0 HA LYS A 15 0.835 -6.759 7.964 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.253 -8.091 6.320 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.516 -8.598 7.827 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -2.623 -6.389 7.581 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -2.958 -8.035 8.080 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -0.885 -7.410 9.795 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -1.616 -5.830 9.598 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -3.654 -6.490 10.563 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -3.482 -8.158 10.054 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -3.145 -7.931 12.441 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -1.708 -8.447 11.698 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -1.875 -6.831 12.191 1.00 10.59 H new ATOM 204 N PRO A 16 1.931 -7.366 5.756 1.00 6.02 N ATOM 205 CA PRO A 16 2.709 -7.554 4.519 1.00 5.35 C ATOM 206 C PRO A 16 2.251 -8.797 3.748 1.00 5.50 C ATOM 207 O PRO A 16 1.631 -9.691 4.294 1.00 6.37 O ATOM 208 CB PRO A 16 4.138 -7.730 5.035 1.00 5.39 C ATOM 209 CG PRO A 16 4.023 -8.208 6.505 1.00 6.26 C ATOM 210 CD PRO A 16 2.585 -7.898 6.961 1.00 6.51 C ATOM 0 HA PRO A 16 2.597 -6.725 3.820 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.681 -8.458 4.432 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.690 -6.792 4.975 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.232 -9.275 6.582 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.748 -7.695 7.137 1.00 6.26 H new ATOM 0 HD2 PRO A 16 2.081 -8.793 7.325 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.573 -7.172 7.774 1.00 6.51 H new ATOM 218 N PHE A 17 2.570 -8.854 2.477 1.00 4.76 N ATOM 219 CA PHE A 17 2.178 -10.034 1.642 1.00 4.96 C ATOM 220 C PHE A 17 3.030 -10.067 0.360 1.00 4.78 C ATOM 221 O PHE A 17 3.551 -9.056 -0.077 1.00 4.77 O ATOM 222 CB PHE A 17 0.674 -9.969 1.306 1.00 4.69 C ATOM 223 CG PHE A 17 0.383 -8.896 0.277 1.00 3.72 C ATOM 224 CD1 PHE A 17 0.454 -7.540 0.625 1.00 3.29 C ATOM 225 CD2 PHE A 17 0.026 -9.263 -1.027 1.00 3.74 C ATOM 226 CE1 PHE A 17 0.174 -6.556 -0.331 1.00 2.59 C ATOM 227 CE2 PHE A 17 -0.252 -8.278 -1.981 1.00 3.14 C ATOM 228 CZ PHE A 17 -0.178 -6.927 -1.634 1.00 2.38 C ATOM 0 H PHE A 17 3.088 -8.130 1.979 1.00 4.76 H new ATOM 0 HA PHE A 17 2.360 -10.952 2.202 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.342 -10.936 0.929 1.00 4.69 H new ATOM 0 HB3 PHE A 17 0.105 -9.768 2.214 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.725 -7.254 1.631 1.00 3.29 H new ATOM 0 HD2 PHE A 17 -0.035 -10.307 -1.296 1.00 3.74 H new ATOM 0 HE1 PHE A 17 0.230 -5.511 -0.063 1.00 2.59 H new ATOM 0 HE2 PHE A 17 -0.524 -8.563 -2.987 1.00 3.14 H new ATOM 0 HZ PHE A 17 -0.393 -6.168 -2.372 1.00 2.38 H new ATOM 238 N HIS A 18 3.184 -11.231 -0.232 1.00 4.92 N ATOM 239 CA HIS A 18 4.011 -11.364 -1.474 1.00 5.06 C ATOM 240 C HIS A 18 3.385 -10.526 -2.623 1.00 4.32 C ATOM 241 O HIS A 18 2.177 -10.457 -2.753 1.00 4.10 O ATOM 242 CB HIS A 18 4.116 -12.854 -1.802 1.00 5.95 C ATOM 243 CG HIS A 18 4.618 -13.037 -3.186 1.00 6.25 C ATOM 244 ND1 HIS A 18 5.961 -13.176 -3.498 1.00 6.36 N ATOM 245 CD2 HIS A 18 3.950 -13.097 -4.354 1.00 6.72 C ATOM 246 CE1 HIS A 18 6.040 -13.312 -4.833 1.00 6.81 C ATOM 247 NE2 HIS A 18 4.839 -13.277 -5.394 1.00 7.07 N ATOM 0 H HIS A 18 2.767 -12.102 0.097 1.00 4.92 H new ATOM 0 HA HIS A 18 5.018 -10.971 -1.332 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.787 -13.343 -1.096 1.00 5.95 H new ATOM 0 HB3 HIS A 18 3.140 -13.328 -1.695 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.741 -13.175 -2.840 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.878 -13.016 -4.461 1.00 6.72 H new ATOM 0 HE1 HIS A 18 6.964 -13.434 -5.379 1.00 6.81 H new ATOM 255 N PRO A 19 4.249 -9.851 -3.376 1.00 4.16 N ATOM 256 CA PRO A 19 3.845 -8.924 -4.471 1.00 3.77 C ATOM 257 C PRO A 19 3.391 -9.608 -5.769 1.00 4.27 C ATOM 258 O PRO A 19 2.439 -9.166 -6.381 1.00 4.32 O ATOM 259 CB PRO A 19 5.115 -8.113 -4.736 1.00 3.96 C ATOM 260 CG PRO A 19 6.294 -8.972 -4.236 1.00 4.62 C ATOM 261 CD PRO A 19 5.715 -9.959 -3.207 1.00 4.65 C ATOM 0 HA PRO A 19 2.975 -8.344 -4.165 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.219 -7.891 -5.798 1.00 3.96 H new ATOM 0 HB3 PRO A 19 5.082 -7.157 -4.213 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.763 -9.505 -5.063 1.00 4.62 H new ATOM 0 HG3 PRO A 19 7.064 -8.347 -3.783 1.00 4.62 H new ATOM 0 HD2 PRO A 19 6.062 -10.975 -3.393 1.00 4.65 H new ATOM 0 HD3 PRO A 19 6.018 -9.699 -2.193 1.00 4.65 H new ATOM 269 N LYS A 20 4.070 -10.637 -6.228 1.00 4.91 N ATOM 270 CA LYS A 20 3.658 -11.286 -7.525 1.00 5.52 C ATOM 271 C LYS A 20 2.163 -11.663 -7.502 1.00 5.00 C ATOM 272 O LYS A 20 1.539 -11.760 -8.543 1.00 5.39 O ATOM 273 CB LYS A 20 4.510 -12.516 -7.821 1.00 6.44 C ATOM 274 CG LYS A 20 4.684 -12.676 -9.334 1.00 7.16 C ATOM 275 CD LYS A 20 5.886 -13.582 -9.618 1.00 7.91 C ATOM 276 CE LYS A 20 6.151 -13.631 -11.126 1.00 8.41 C ATOM 277 NZ LYS A 20 6.240 -15.051 -11.571 1.00 8.95 N ATOM 0 H LYS A 20 4.881 -11.053 -5.770 1.00 4.91 H new ATOM 0 HA LYS A 20 3.819 -10.560 -8.322 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.484 -12.418 -7.342 1.00 6.44 H new ATOM 0 HB3 LYS A 20 4.038 -13.406 -7.404 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.782 -13.104 -9.771 1.00 7.16 H new ATOM 0 HG3 LYS A 20 4.832 -11.701 -9.799 1.00 7.16 H new ATOM 0 HD2 LYS A 20 6.767 -13.208 -9.096 1.00 7.91 H new ATOM 0 HD3 LYS A 20 5.694 -14.586 -9.240 1.00 7.91 H new ATOM 0 HE2 LYS A 20 5.352 -13.120 -11.663 1.00 8.41 H new ATOM 0 HE3 LYS A 20 7.078 -13.107 -11.360 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 6.420 -15.083 -12.595 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 7.017 -15.524 -11.068 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 5.345 -15.537 -11.361 1.00 8.95 H new ATOM 291 N PHE A 21 1.570 -11.832 -6.333 1.00 4.37 N ATOM 292 CA PHE A 21 0.110 -12.149 -6.262 1.00 4.15 C ATOM 293 C PHE A 21 -0.667 -10.980 -6.879 1.00 3.56 C ATOM 294 O PHE A 21 -1.652 -11.163 -7.569 1.00 3.88 O ATOM 295 CB PHE A 21 -0.328 -12.295 -4.807 1.00 4.02 C ATOM 296 CG PHE A 21 0.407 -13.417 -4.101 1.00 4.64 C ATOM 297 CD1 PHE A 21 0.938 -14.498 -4.821 1.00 5.12 C ATOM 298 CD2 PHE A 21 0.548 -13.371 -2.708 1.00 5.11 C ATOM 299 CE1 PHE A 21 1.608 -15.526 -4.144 1.00 5.85 C ATOM 300 CE2 PHE A 21 1.216 -14.397 -2.035 1.00 5.85 C ATOM 301 CZ PHE A 21 1.746 -15.475 -2.752 1.00 6.13 C ATOM 0 H PHE A 21 2.040 -11.763 -5.430 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.083 -13.080 -6.795 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.151 -11.358 -4.280 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.401 -12.484 -4.769 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.831 -14.538 -5.895 1.00 5.12 H new ATOM 0 HD2 PHE A 21 0.139 -12.540 -2.153 1.00 5.11 H new ATOM 0 HE1 PHE A 21 2.018 -16.358 -4.697 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.323 -14.358 -0.961 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.262 -16.268 -2.231 1.00 6.13 H new ATOM 311 N ILE A 22 -0.206 -9.776 -6.623 1.00 2.94 N ATOM 312 CA ILE A 22 -0.863 -8.550 -7.164 1.00 2.62 C ATOM 313 C ILE A 22 -0.848 -8.581 -8.694 1.00 3.41 C ATOM 314 O ILE A 22 0.201 -8.579 -9.313 1.00 4.13 O ATOM 315 CB ILE A 22 -0.090 -7.313 -6.684 1.00 2.18 C ATOM 316 CG1 ILE A 22 -0.099 -7.254 -5.152 1.00 2.00 C ATOM 317 CG2 ILE A 22 -0.740 -6.049 -7.244 1.00 2.53 C ATOM 318 CD1 ILE A 22 1.141 -6.499 -4.664 1.00 2.47 C ATOM 0 H ILE A 22 0.617 -9.593 -6.048 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.894 -8.511 -6.813 1.00 2.62 H new ATOM 0 HB ILE A 22 0.939 -7.379 -7.036 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -1.003 -6.756 -4.802 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.110 -8.262 -4.738 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.188 -5.174 -6.901 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.724 -6.084 -8.333 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.772 -5.986 -6.898 1.00 2.53 H new ATOM 0 HD11 ILE A 22 1.136 -6.456 -3.575 1.00 2.47 H new ATOM 0 HD12 ILE A 22 2.039 -7.016 -5.003 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.132 -5.486 -5.067 1.00 2.47 H new ATOM 330 N LYS A 23 -2.004 -8.587 -9.303 1.00 3.62 N ATOM 331 CA LYS A 23 -2.066 -8.590 -10.792 1.00 4.61 C ATOM 332 C LYS A 23 -1.933 -7.147 -11.300 1.00 5.00 C ATOM 333 O LYS A 23 -1.485 -6.915 -12.407 1.00 5.88 O ATOM 334 CB LYS A 23 -3.402 -9.179 -11.254 1.00 5.10 C ATOM 335 CG LYS A 23 -3.219 -9.840 -12.625 1.00 5.85 C ATOM 336 CD LYS A 23 -4.375 -10.804 -12.893 1.00 6.35 C ATOM 337 CE LYS A 23 -4.126 -11.544 -14.211 1.00 6.93 C ATOM 338 NZ LYS A 23 -5.257 -12.474 -14.484 1.00 7.72 N ATOM 0 H LYS A 23 -2.909 -8.590 -8.832 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.254 -9.198 -11.192 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -3.759 -9.911 -10.530 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -4.157 -8.395 -11.314 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -3.180 -9.078 -13.404 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.271 -10.377 -12.657 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -4.465 -11.518 -12.074 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -5.316 -10.256 -12.943 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -4.025 -10.829 -15.028 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -3.190 -12.100 -14.156 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -5.086 -12.975 -15.379 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -5.334 -13.164 -13.710 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -6.142 -11.933 -14.554 1.00 7.72 H new ATOM 352 N GLU A 24 -2.312 -6.175 -10.493 1.00 4.51 N ATOM 353 CA GLU A 24 -2.202 -4.748 -10.925 1.00 5.13 C ATOM 354 C GLU A 24 -1.820 -3.871 -9.721 1.00 4.55 C ATOM 355 O GLU A 24 -2.657 -3.532 -8.904 1.00 4.65 O ATOM 356 CB GLU A 24 -3.548 -4.278 -11.494 1.00 5.78 C ATOM 357 CG GLU A 24 -3.664 -4.694 -12.966 1.00 6.35 C ATOM 358 CD GLU A 24 -2.738 -3.825 -13.824 1.00 7.36 C ATOM 359 OE1 GLU A 24 -3.150 -2.735 -14.187 1.00 7.77 O ATOM 360 OE2 GLU A 24 -1.634 -4.263 -14.102 1.00 7.92 O ATOM 0 H GLU A 24 -2.691 -6.314 -9.556 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.433 -4.663 -11.693 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.367 -4.710 -10.919 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.633 -3.195 -11.405 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -3.399 -5.745 -13.079 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -4.695 -4.587 -13.304 1.00 6.35 H new HETATM 367 N MLE A 25 -0.561 -3.501 -9.602 1.00 4.25 N HETATM 368 CN MLE A 25 0.121 -3.026 -10.849 1.00 5.13 C HETATM 369 CA MLE A 25 -0.137 -2.644 -8.442 1.00 3.66 C HETATM 370 CB MLE A 25 1.247 -3.090 -7.936 1.00 3.52 C HETATM 371 CG MLE A 25 1.865 -1.989 -7.054 1.00 3.28 C HETATM 372 CD1 MLE A 25 2.399 -2.599 -5.759 1.00 2.93 C HETATM 373 CD2 MLE A 25 3.014 -1.305 -7.808 1.00 3.54 C HETATM 374 C MLE A 25 -0.074 -1.180 -8.890 1.00 4.19 C HETATM 375 O MLE A 25 0.869 -0.761 -9.538 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.778 -2.042 -8.053 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.632 -0.859 -8.727 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.449 -0.527 -7.181 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.582 -3.077 -5.218 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.162 -3.341 -5.994 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.835 -1.815 -5.140 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.156 -1.990 -11.043 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.201 -3.095 -10.722 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.186 -3.647 -11.691 1.00 5.13 H new HETATM 0 HG MLE A 25 1.098 -1.253 -6.816 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.154 -4.015 -7.366 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.902 -3.301 -8.781 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.860 -2.749 -7.633 1.00 3.66 H new ATOM 389 N ARG A 26 -1.063 -0.398 -8.562 1.00 4.14 N ATOM 390 CA ARG A 26 -1.025 1.022 -8.991 1.00 4.79 C ATOM 391 C ARG A 26 -1.130 1.942 -7.767 1.00 4.70 C ATOM 392 O ARG A 26 -2.084 1.884 -7.014 1.00 4.97 O ATOM 393 CB ARG A 26 -2.169 1.313 -9.975 1.00 5.59 C ATOM 394 CG ARG A 26 -3.518 0.905 -9.367 1.00 5.99 C ATOM 395 CD ARG A 26 -4.570 0.823 -10.475 1.00 6.35 C ATOM 396 NE ARG A 26 -5.244 2.145 -10.621 1.00 7.16 N ATOM 397 CZ ARG A 26 -6.544 2.206 -10.741 1.00 7.92 C ATOM 398 NH1 ARG A 26 -7.297 2.253 -9.673 1.00 8.52 N ATOM 399 NH2 ARG A 26 -7.091 2.218 -11.930 1.00 8.32 N ATOM 0 H ARG A 26 -1.883 -0.677 -8.024 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.078 1.212 -9.495 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.182 2.374 -10.224 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -2.003 0.770 -10.905 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.427 -0.058 -8.865 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.824 1.630 -8.613 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -4.101 0.537 -11.416 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -5.304 0.053 -10.238 1.00 6.35 H new ATOM 0 HE ARG A 26 -4.690 3.002 -10.627 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -6.870 2.242 -8.747 1.00 8.52 H new ATOM 0 HH12 ARG A 26 -8.312 2.301 -9.766 1.00 8.52 H new ATOM 0 HH21 ARG A 26 -6.503 2.180 -12.762 1.00 8.32 H new ATOM 0 HH22 ARG A 26 -8.106 2.266 -12.024 1.00 8.32 H new ATOM 413 N VAL A 27 -0.149 2.788 -7.564 1.00 4.69 N ATOM 414 CA VAL A 27 -0.172 3.716 -6.395 1.00 4.83 C ATOM 415 C VAL A 27 -0.831 5.043 -6.797 1.00 4.79 C ATOM 416 O VAL A 27 -0.726 5.479 -7.930 1.00 5.45 O ATOM 417 CB VAL A 27 1.265 3.976 -5.920 1.00 5.66 C ATOM 418 CG1 VAL A 27 1.852 2.692 -5.329 1.00 6.10 C ATOM 419 CG2 VAL A 27 2.143 4.433 -7.093 1.00 6.04 C ATOM 0 H VAL A 27 0.672 2.874 -8.164 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.746 3.263 -5.586 1.00 4.83 H new ATOM 0 HB VAL A 27 1.243 4.759 -5.162 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.872 2.879 -4.993 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.244 2.370 -4.483 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.858 1.911 -6.090 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.158 4.613 -6.739 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.158 3.658 -7.860 1.00 6.04 H new ATOM 0 HG23 VAL A 27 1.737 5.353 -7.514 1.00 6.04 H new ATOM 429 N ILE A 28 -1.505 5.692 -5.875 1.00 4.28 N ATOM 430 CA ILE A 28 -2.168 6.994 -6.198 1.00 4.40 C ATOM 431 C ILE A 28 -1.222 8.144 -5.840 1.00 4.70 C ATOM 432 O ILE A 28 -0.610 8.148 -4.789 1.00 5.01 O ATOM 433 CB ILE A 28 -3.470 7.132 -5.392 1.00 4.45 C ATOM 434 CG1 ILE A 28 -4.371 5.912 -5.640 1.00 4.94 C ATOM 435 CG2 ILE A 28 -4.210 8.403 -5.818 1.00 4.49 C ATOM 436 CD1 ILE A 28 -4.578 5.707 -7.145 1.00 5.05 C ATOM 0 H ILE A 28 -1.624 5.375 -4.913 1.00 4.28 H new ATOM 0 HA ILE A 28 -2.402 7.026 -7.262 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.225 7.191 -4.332 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -3.919 5.022 -5.203 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -5.333 6.055 -5.149 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -5.132 8.497 -5.244 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.578 9.271 -5.633 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -4.448 8.347 -6.880 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -5.218 4.840 -7.310 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.050 6.592 -7.571 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -3.614 5.543 -7.626 1.00 5.05 H new ATOM 448 N GLU A 29 -1.097 9.116 -6.710 1.00 5.08 N ATOM 449 CA GLU A 29 -0.189 10.269 -6.434 1.00 5.75 C ATOM 450 C GLU A 29 -0.774 11.162 -5.333 1.00 5.30 C ATOM 451 O GLU A 29 -1.904 10.997 -4.912 1.00 4.95 O ATOM 452 CB GLU A 29 0.005 11.099 -7.708 1.00 6.63 C ATOM 453 CG GLU A 29 -1.354 11.445 -8.337 1.00 7.40 C ATOM 454 CD GLU A 29 -1.432 12.952 -8.592 1.00 8.35 C ATOM 455 OE1 GLU A 29 -1.595 13.686 -7.633 1.00 9.09 O ATOM 456 OE2 GLU A 29 -1.326 13.346 -9.742 1.00 8.53 O ATOM 0 H GLU A 29 -1.588 9.159 -7.603 1.00 5.08 H new ATOM 0 HA GLU A 29 0.772 9.877 -6.102 1.00 5.75 H new ATOM 0 HB2 GLU A 29 0.548 12.015 -7.473 1.00 6.63 H new ATOM 0 HB3 GLU A 29 0.612 10.543 -8.422 1.00 6.63 H new ATOM 0 HG2 GLU A 29 -1.483 10.900 -9.272 1.00 7.40 H new ATOM 0 HG3 GLU A 29 -2.162 11.136 -7.674 1.00 7.40 H new ATOM 463 N SER A 30 0.002 12.109 -4.869 1.00 5.67 N ATOM 464 CA SER A 30 -0.475 13.030 -3.794 1.00 5.68 C ATOM 465 C SER A 30 -0.683 14.440 -4.362 1.00 6.20 C ATOM 466 O SER A 30 -0.136 14.798 -5.388 1.00 6.77 O ATOM 467 CB SER A 30 0.557 13.084 -2.663 1.00 6.35 C ATOM 468 OG SER A 30 1.862 12.858 -3.188 1.00 7.18 O ATOM 0 H SER A 30 0.953 12.284 -5.192 1.00 5.67 H new ATOM 0 HA SER A 30 -1.423 12.657 -3.405 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.517 14.055 -2.168 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.323 12.332 -1.909 1.00 6.35 H new ATOM 0 HG SER A 30 2.251 12.064 -2.766 1.00 7.18 H new ATOM 474 N GLY A 31 -1.476 15.238 -3.690 1.00 6.36 N ATOM 475 CA GLY A 31 -1.744 16.632 -4.166 1.00 7.19 C ATOM 476 C GLY A 31 -2.714 17.319 -3.192 1.00 7.66 C ATOM 477 O GLY A 31 -2.738 16.992 -2.020 1.00 7.75 O ATOM 0 H GLY A 31 -1.953 14.982 -2.826 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -0.812 17.194 -4.227 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.170 16.611 -5.169 1.00 7.19 H new ATOM 481 N PRO A 32 -3.510 18.233 -3.708 1.00 8.17 N ATOM 482 CA PRO A 32 -4.519 18.950 -2.898 1.00 8.85 C ATOM 483 C PRO A 32 -5.684 17.998 -2.591 1.00 8.11 C ATOM 484 O PRO A 32 -6.241 18.005 -1.509 1.00 8.52 O ATOM 485 CB PRO A 32 -4.950 20.112 -3.799 1.00 9.69 C ATOM 486 CG PRO A 32 -4.598 19.694 -5.246 1.00 9.20 C ATOM 487 CD PRO A 32 -3.488 18.630 -5.135 1.00 8.39 C ATOM 0 HA PRO A 32 -4.151 19.306 -1.936 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.018 20.306 -3.699 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -4.432 21.031 -3.523 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.472 19.291 -5.757 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -4.257 20.552 -5.826 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -3.684 17.780 -5.788 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.517 19.035 -5.421 1.00 8.39 H new ATOM 495 N HIS A 33 -6.016 17.158 -3.541 1.00 7.21 N ATOM 496 CA HIS A 33 -7.106 16.148 -3.357 1.00 6.64 C ATOM 497 C HIS A 33 -6.770 15.244 -2.157 1.00 5.94 C ATOM 498 O HIS A 33 -7.642 14.835 -1.413 1.00 6.05 O ATOM 499 CB HIS A 33 -7.217 15.290 -4.634 1.00 6.27 C ATOM 500 CG HIS A 33 -5.888 14.627 -4.922 1.00 5.79 C ATOM 501 ND1 HIS A 33 -4.848 15.299 -5.547 1.00 6.54 N ATOM 502 CD2 HIS A 33 -5.399 13.379 -4.625 1.00 4.91 C ATOM 503 CE1 HIS A 33 -3.795 14.468 -5.593 1.00 6.20 C ATOM 504 NE2 HIS A 33 -4.076 13.281 -5.047 1.00 5.23 N ATOM 0 H HIS A 33 -5.567 17.129 -4.457 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.053 16.656 -3.172 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -7.992 14.534 -4.509 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.513 15.913 -5.478 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -5.956 12.593 -4.138 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -2.837 14.727 -6.019 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.455 12.477 -4.959 1.00 5.23 H new ATOM 512 N CYS A 34 -5.504 14.943 -1.967 1.00 5.51 N ATOM 513 CA CYS A 34 -5.079 14.084 -0.833 1.00 5.12 C ATOM 514 C CYS A 34 -3.604 14.360 -0.527 1.00 5.54 C ATOM 515 O CYS A 34 -2.734 14.095 -1.337 1.00 5.84 O ATOM 516 CB CYS A 34 -5.263 12.606 -1.194 1.00 4.12 C ATOM 517 SG CYS A 34 -5.417 11.635 0.325 1.00 4.37 S ATOM 0 H CYS A 34 -4.743 15.266 -2.564 1.00 5.51 H new ATOM 0 HA CYS A 34 -5.689 14.309 0.042 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.151 12.479 -1.812 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.414 12.254 -1.780 1.00 4.12 H new ATOM 522 N ALA A 35 -3.319 14.897 0.633 1.00 5.90 N ATOM 523 CA ALA A 35 -1.902 15.205 1.000 1.00 6.66 C ATOM 524 C ALA A 35 -1.107 13.905 1.175 1.00 6.33 C ATOM 525 O ALA A 35 0.023 13.800 0.736 1.00 6.77 O ATOM 526 CB ALA A 35 -1.875 15.998 2.309 1.00 7.59 C ATOM 0 H ALA A 35 -4.009 15.136 1.345 1.00 5.90 H new ATOM 0 HA ALA A 35 -1.449 15.795 0.203 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -0.843 16.223 2.577 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -2.428 16.929 2.182 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -2.335 15.408 3.101 1.00 7.59 H new ATOM 532 N ASN A 36 -1.684 12.922 1.820 1.00 5.85 N ATOM 533 CA ASN A 36 -0.965 11.631 2.037 1.00 5.88 C ATOM 534 C ASN A 36 -1.060 10.752 0.784 1.00 5.34 C ATOM 535 O ASN A 36 -2.098 10.661 0.153 1.00 5.26 O ATOM 536 CB ASN A 36 -1.593 10.893 3.224 1.00 6.50 C ATOM 537 CG ASN A 36 -0.925 11.351 4.524 1.00 7.27 C ATOM 538 OD1 ASN A 36 0.015 10.736 4.987 1.00 7.78 O ATOM 539 ND2 ASN A 36 -1.373 12.414 5.136 1.00 7.61 N ATOM 0 H ASN A 36 -2.627 12.959 2.207 1.00 5.85 H new ATOM 0 HA ASN A 36 0.084 11.841 2.244 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.664 11.092 3.264 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.473 9.817 3.101 1.00 6.50 H new ATOM 0 HD21 ASN A 36 -0.934 12.727 6.002 1.00 7.61 H new ATOM 0 HD22 ASN A 36 -2.162 12.931 4.748 1.00 7.61 H new ATOM 546 N THR A 37 0.021 10.098 0.429 1.00 5.30 N ATOM 547 CA THR A 37 0.018 9.207 -0.773 1.00 5.18 C ATOM 548 C THR A 37 -0.520 7.827 -0.363 1.00 4.58 C ATOM 549 O THR A 37 -0.334 7.395 0.761 1.00 4.95 O ATOM 550 CB THR A 37 1.452 9.074 -1.310 1.00 5.98 C ATOM 551 OG1 THR A 37 2.077 10.352 -1.318 1.00 6.76 O ATOM 552 CG2 THR A 37 1.423 8.518 -2.735 1.00 6.31 C ATOM 0 H THR A 37 0.911 10.144 0.925 1.00 5.30 H new ATOM 0 HA THR A 37 -0.615 9.628 -1.554 1.00 5.18 H new ATOM 0 HB THR A 37 2.012 8.395 -0.668 1.00 5.98 H new ATOM 0 HG1 THR A 37 2.992 10.267 -1.659 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.442 8.426 -3.110 1.00 6.31 H new ATOM 0 HG22 THR A 37 0.947 7.537 -2.733 1.00 6.31 H new ATOM 0 HG23 THR A 37 0.859 9.194 -3.378 1.00 6.31 H new ATOM 560 N GLU A 38 -1.194 7.134 -1.255 1.00 3.94 N ATOM 561 CA GLU A 38 -1.750 5.792 -0.895 1.00 3.67 C ATOM 562 C GLU A 38 -1.486 4.791 -2.024 1.00 2.99 C ATOM 563 O GLU A 38 -1.567 5.125 -3.191 1.00 3.33 O ATOM 564 CB GLU A 38 -3.261 5.917 -0.669 1.00 4.35 C ATOM 565 CG GLU A 38 -3.703 4.936 0.423 1.00 4.96 C ATOM 566 CD GLU A 38 -3.530 5.584 1.801 1.00 5.76 C ATOM 567 OE1 GLU A 38 -2.400 5.675 2.256 1.00 6.28 O ATOM 568 OE2 GLU A 38 -4.531 5.975 2.380 1.00 6.10 O ATOM 0 H GLU A 38 -1.381 7.440 -2.210 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.266 5.436 0.014 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.512 6.937 -0.378 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.796 5.709 -1.596 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -4.745 4.654 0.272 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -3.113 4.021 0.364 1.00 4.96 H new ATOM 575 N ILE A 39 -1.182 3.561 -1.681 1.00 2.48 N ATOM 576 CA ILE A 39 -0.926 2.525 -2.728 1.00 2.38 C ATOM 577 C ILE A 39 -2.226 1.743 -2.978 1.00 2.16 C ATOM 578 O ILE A 39 -3.110 1.726 -2.141 1.00 2.22 O ATOM 579 CB ILE A 39 0.185 1.580 -2.229 1.00 2.57 C ATOM 580 CG1 ILE A 39 1.524 2.333 -2.209 1.00 2.79 C ATOM 581 CG2 ILE A 39 0.307 0.363 -3.156 1.00 3.44 C ATOM 582 CD1 ILE A 39 2.130 2.286 -0.805 1.00 2.94 C ATOM 0 H ILE A 39 -1.100 3.231 -0.719 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.605 2.989 -3.661 1.00 2.38 H new ATOM 0 HB ILE A 39 -0.068 1.240 -1.225 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.213 1.886 -2.926 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.373 3.368 -2.514 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.095 -0.295 -2.791 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.639 -0.178 -3.172 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.551 0.697 -4.164 1.00 3.44 H new ATOM 0 HD11 ILE A 39 3.079 2.822 -0.800 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.445 2.754 -0.097 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.298 1.249 -0.516 1.00 2.94 H new ATOM 594 N ILE A 40 -2.358 1.102 -4.119 1.00 2.34 N ATOM 595 CA ILE A 40 -3.606 0.319 -4.402 1.00 2.36 C ATOM 596 C ILE A 40 -3.281 -0.875 -5.302 1.00 2.37 C ATOM 597 O ILE A 40 -3.184 -0.752 -6.510 1.00 3.02 O ATOM 598 CB ILE A 40 -4.658 1.196 -5.094 1.00 3.14 C ATOM 599 CG1 ILE A 40 -5.025 2.373 -4.187 1.00 3.44 C ATOM 600 CG2 ILE A 40 -5.908 0.351 -5.370 1.00 3.70 C ATOM 601 CD1 ILE A 40 -5.970 3.324 -4.925 1.00 4.01 C ATOM 0 H ILE A 40 -1.659 1.088 -4.862 1.00 2.34 H new ATOM 0 HA ILE A 40 -4.007 -0.031 -3.451 1.00 2.36 H new ATOM 0 HB ILE A 40 -4.257 1.580 -6.032 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.501 2.008 -3.277 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -4.123 2.905 -3.884 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.662 0.966 -5.862 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.645 -0.487 -6.016 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.306 -0.027 -4.429 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -6.227 4.159 -4.274 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -5.479 3.701 -5.822 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.878 2.790 -5.205 1.00 4.01 H new ATOM 613 N VAL A 41 -3.130 -2.032 -4.718 1.00 2.04 N ATOM 614 CA VAL A 41 -2.830 -3.250 -5.512 1.00 2.10 C ATOM 615 C VAL A 41 -4.134 -4.002 -5.807 1.00 2.33 C ATOM 616 O VAL A 41 -5.159 -3.755 -5.198 1.00 2.79 O ATOM 617 CB VAL A 41 -1.885 -4.160 -4.717 1.00 2.21 C ATOM 618 CG1 VAL A 41 -0.575 -3.421 -4.431 1.00 2.87 C ATOM 619 CG2 VAL A 41 -2.541 -4.576 -3.394 1.00 3.20 C ATOM 0 H VAL A 41 -3.203 -2.184 -3.712 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.355 -2.963 -6.450 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.676 -5.053 -5.306 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.093 -4.071 -3.866 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.101 -3.143 -5.372 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.783 -2.522 -3.851 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.861 -5.222 -2.838 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.763 -3.688 -2.803 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.466 -5.115 -3.600 1.00 3.20 H new ATOM 629 N LYS A 42 -4.094 -4.924 -6.732 1.00 2.44 N ATOM 630 CA LYS A 42 -5.310 -5.712 -7.073 1.00 2.97 C ATOM 631 C LYS A 42 -4.938 -7.200 -7.099 1.00 2.77 C ATOM 632 O LYS A 42 -4.429 -7.704 -8.083 1.00 2.98 O ATOM 633 CB LYS A 42 -5.838 -5.280 -8.445 1.00 3.77 C ATOM 634 CG LYS A 42 -7.109 -4.444 -8.267 1.00 4.68 C ATOM 635 CD LYS A 42 -7.895 -4.416 -9.580 1.00 5.42 C ATOM 636 CE LYS A 42 -7.524 -3.161 -10.379 1.00 5.72 C ATOM 637 NZ LYS A 42 -8.721 -2.279 -10.511 1.00 6.76 N ATOM 0 H LYS A 42 -3.262 -5.166 -7.270 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.088 -5.539 -6.329 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.080 -4.700 -8.971 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -6.050 -6.157 -9.057 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.725 -4.865 -7.472 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -6.849 -3.429 -7.965 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -7.676 -5.309 -10.165 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -8.965 -4.424 -9.374 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -6.718 -2.624 -9.879 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -7.156 -3.442 -11.366 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -8.467 -1.428 -11.053 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -9.478 -2.793 -11.006 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -9.053 -2.001 -9.566 1.00 6.76 H new ATOM 651 N LEU A 43 -5.173 -7.895 -6.009 1.00 3.01 N ATOM 652 CA LEU A 43 -4.829 -9.348 -5.925 1.00 3.31 C ATOM 653 C LEU A 43 -5.436 -10.126 -7.097 1.00 3.92 C ATOM 654 O LEU A 43 -6.509 -9.811 -7.583 1.00 4.54 O ATOM 655 CB LEU A 43 -5.375 -9.915 -4.617 1.00 4.01 C ATOM 656 CG LEU A 43 -4.443 -9.533 -3.459 1.00 3.77 C ATOM 657 CD1 LEU A 43 -5.063 -9.972 -2.130 1.00 4.46 C ATOM 658 CD2 LEU A 43 -3.084 -10.221 -3.636 1.00 3.91 C ATOM 0 H LEU A 43 -5.594 -7.509 -5.164 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.744 -9.450 -5.964 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.377 -9.529 -4.432 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.459 -11.000 -4.686 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.305 -8.452 -3.457 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.398 -9.699 -1.311 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.025 -9.478 -1.997 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.208 -11.052 -2.135 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.427 -9.946 -2.811 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.222 -11.302 -3.645 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.636 -9.904 -4.578 1.00 3.91 H new ATOM 670 N SER A 44 -4.738 -11.148 -7.537 1.00 3.99 N ATOM 671 CA SER A 44 -5.213 -11.994 -8.675 1.00 4.72 C ATOM 672 C SER A 44 -6.588 -12.612 -8.369 1.00 5.55 C ATOM 673 O SER A 44 -7.321 -12.967 -9.274 1.00 6.08 O ATOM 674 CB SER A 44 -4.203 -13.117 -8.929 1.00 4.98 C ATOM 675 OG SER A 44 -4.366 -13.608 -10.254 1.00 5.08 O ATOM 0 H SER A 44 -3.841 -11.435 -7.145 1.00 3.99 H new ATOM 0 HA SER A 44 -5.305 -11.361 -9.558 1.00 4.72 H new ATOM 0 HB2 SER A 44 -3.188 -12.746 -8.789 1.00 4.98 H new ATOM 0 HB3 SER A 44 -4.350 -13.923 -8.210 1.00 4.98 H new ATOM 0 HG SER A 44 -3.719 -14.326 -10.419 1.00 5.08 H new ATOM 681 N ASP A 45 -6.948 -12.742 -7.110 1.00 5.91 N ATOM 682 CA ASP A 45 -8.271 -13.329 -6.758 1.00 7.02 C ATOM 683 C ASP A 45 -9.400 -12.298 -6.976 1.00 7.25 C ATOM 684 O ASP A 45 -10.530 -12.527 -6.586 1.00 8.19 O ATOM 685 CB ASP A 45 -8.257 -13.763 -5.287 1.00 7.64 C ATOM 686 CG ASP A 45 -7.346 -14.983 -5.117 1.00 8.01 C ATOM 687 OD1 ASP A 45 -7.823 -16.088 -5.318 1.00 8.63 O ATOM 688 OD2 ASP A 45 -6.186 -14.791 -4.789 1.00 7.89 O ATOM 0 H ASP A 45 -6.375 -12.464 -6.313 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.455 -14.190 -7.401 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.905 -12.944 -4.660 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -9.268 -14.004 -4.959 1.00 7.64 H new ATOM 693 N GLY A 46 -9.107 -11.168 -7.589 1.00 6.57 N ATOM 694 CA GLY A 46 -10.158 -10.135 -7.819 1.00 7.07 C ATOM 695 C GLY A 46 -10.337 -9.300 -6.550 1.00 6.74 C ATOM 696 O GLY A 46 -11.428 -8.857 -6.242 1.00 7.17 O ATOM 0 H GLY A 46 -8.180 -10.923 -7.938 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.876 -9.493 -8.653 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.100 -10.613 -8.089 1.00 7.07 H new ATOM 700 N ARG A 47 -9.276 -9.088 -5.803 1.00 6.21 N ATOM 701 CA ARG A 47 -9.391 -8.290 -4.550 1.00 6.07 C ATOM 702 C ARG A 47 -8.657 -6.954 -4.717 1.00 5.32 C ATOM 703 O ARG A 47 -7.812 -6.804 -5.578 1.00 5.06 O ATOM 704 CB ARG A 47 -8.756 -9.089 -3.407 1.00 6.43 C ATOM 705 CG ARG A 47 -9.340 -8.645 -2.061 1.00 7.27 C ATOM 706 CD ARG A 47 -10.748 -9.226 -1.896 1.00 7.96 C ATOM 707 NE ARG A 47 -11.302 -8.825 -0.569 1.00 8.82 N ATOM 708 CZ ARG A 47 -11.720 -9.738 0.271 1.00 9.62 C ATOM 709 NH1 ARG A 47 -12.870 -10.332 0.073 1.00 10.10 N ATOM 710 NH2 ARG A 47 -10.990 -10.054 1.308 1.00 10.15 N ATOM 0 H ARG A 47 -8.340 -9.435 -6.011 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.439 -8.089 -4.330 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.934 -10.154 -3.555 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.676 -8.944 -3.408 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.699 -8.981 -1.246 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.376 -7.557 -2.010 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.396 -8.868 -2.696 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -10.716 -10.313 -1.975 1.00 7.96 H new ATOM 0 HE ARG A 47 -11.355 -7.838 -0.316 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -13.440 -10.083 -0.736 1.00 10.10 H new ATOM 0 HH12 ARG A 47 -13.196 -11.043 0.727 1.00 10.10 H new ATOM 0 HH21 ARG A 47 -10.095 -9.589 1.462 1.00 10.15 H new ATOM 0 HH22 ARG A 47 -11.315 -10.765 1.963 1.00 10.15 H new ATOM 724 N GLU A 48 -8.972 -5.986 -3.892 1.00 5.24 N ATOM 725 CA GLU A 48 -8.291 -4.660 -3.977 1.00 4.73 C ATOM 726 C GLU A 48 -7.893 -4.235 -2.564 1.00 4.69 C ATOM 727 O GLU A 48 -8.737 -4.037 -1.708 1.00 5.44 O ATOM 728 CB GLU A 48 -9.238 -3.621 -4.588 1.00 5.60 C ATOM 729 CG GLU A 48 -8.423 -2.591 -5.379 1.00 5.76 C ATOM 730 CD GLU A 48 -9.188 -1.268 -5.449 1.00 6.79 C ATOM 731 OE1 GLU A 48 -9.087 -0.496 -4.509 1.00 7.12 O ATOM 732 OE2 GLU A 48 -9.858 -1.045 -6.445 1.00 7.44 O ATOM 0 H GLU A 48 -9.677 -6.060 -3.159 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.407 -4.734 -4.610 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -9.959 -4.111 -5.243 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -9.807 -3.125 -3.802 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -7.455 -2.437 -4.903 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -8.228 -2.963 -6.385 1.00 5.76 H new ATOM 739 N LEU A 49 -6.616 -4.108 -2.309 1.00 4.08 N ATOM 740 CA LEU A 49 -6.163 -3.711 -0.942 1.00 4.35 C ATOM 741 C LEU A 49 -5.270 -2.483 -1.041 1.00 3.99 C ATOM 742 O LEU A 49 -4.296 -2.485 -1.755 1.00 3.87 O ATOM 743 CB LEU A 49 -5.349 -4.851 -0.316 1.00 4.67 C ATOM 744 CG LEU A 49 -6.102 -5.445 0.876 1.00 4.92 C ATOM 745 CD1 LEU A 49 -7.157 -6.431 0.378 1.00 5.51 C ATOM 746 CD2 LEU A 49 -5.112 -6.182 1.781 1.00 4.69 C ATOM 0 H LEU A 49 -5.869 -4.262 -2.986 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.037 -3.494 -0.328 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.162 -5.625 -1.060 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.377 -4.479 0.007 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.588 -4.644 1.433 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.692 -6.852 1.229 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.861 -5.912 -0.272 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.672 -7.233 -0.179 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.644 -6.607 2.632 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.630 -6.981 1.218 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.356 -5.483 2.138 1.00 4.69 H new ATOM 758 N CYS A 50 -5.568 -1.447 -0.307 1.00 3.99 N ATOM 759 CA CYS A 50 -4.695 -0.241 -0.352 1.00 3.63 C ATOM 760 C CYS A 50 -3.531 -0.488 0.598 1.00 3.49 C ATOM 761 O CYS A 50 -3.727 -0.950 1.702 1.00 4.14 O ATOM 762 CB CYS A 50 -5.442 1.009 0.098 1.00 3.72 C ATOM 763 SG CYS A 50 -7.236 0.759 0.021 1.00 4.64 S ATOM 0 H CYS A 50 -6.372 -1.383 0.318 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.359 -0.077 -1.376 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.150 1.264 1.117 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -5.161 1.852 -0.534 1.00 3.72 H new ATOM 768 N LEU A 51 -2.326 -0.209 0.183 1.00 2.91 N ATOM 769 CA LEU A 51 -1.167 -0.457 1.072 1.00 2.96 C ATOM 770 C LEU A 51 -0.744 0.825 1.770 1.00 3.35 C ATOM 771 O LEU A 51 -1.004 1.931 1.316 1.00 3.56 O ATOM 772 CB LEU A 51 0.009 -1.000 0.268 1.00 2.71 C ATOM 773 CG LEU A 51 -0.291 -2.423 -0.217 1.00 2.56 C ATOM 774 CD1 LEU A 51 -1.273 -2.383 -1.382 1.00 2.98 C ATOM 775 CD2 LEU A 51 1.010 -3.088 -0.674 1.00 2.61 C ATOM 0 H LEU A 51 -2.099 0.179 -0.732 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.467 -1.191 1.820 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.205 -0.351 -0.586 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.909 -1.000 0.882 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.731 -2.993 0.601 1.00 2.56 H new ATOM 0 HD11 LEU A 51 -1.479 -3.399 -1.719 1.00 2.98 H new ATOM 0 HD12 LEU A 51 -2.202 -1.912 -1.059 1.00 2.98 H new ATOM 0 HD13 LEU A 51 -0.841 -1.809 -2.202 1.00 2.98 H new ATOM 0 HD21 LEU A 51 0.799 -4.100 -1.019 1.00 2.61 H new ATOM 0 HD22 LEU A 51 1.447 -2.510 -1.488 1.00 2.61 H new ATOM 0 HD23 LEU A 51 1.711 -3.128 0.160 1.00 2.61 H new ATOM 787 N ASP A 52 -0.083 0.653 2.876 1.00 3.84 N ATOM 788 CA ASP A 52 0.397 1.800 3.688 1.00 4.35 C ATOM 789 C ASP A 52 1.921 1.919 3.538 1.00 4.47 C ATOM 790 O ASP A 52 2.651 1.030 3.943 1.00 4.73 O ATOM 791 CB ASP A 52 0.031 1.535 5.154 1.00 4.93 C ATOM 792 CG ASP A 52 0.122 2.828 5.971 1.00 5.39 C ATOM 793 OD1 ASP A 52 -0.365 3.847 5.502 1.00 5.96 O ATOM 794 OD2 ASP A 52 0.664 2.773 7.060 1.00 5.40 O ATOM 0 H ASP A 52 0.151 -0.262 3.262 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.064 2.730 3.355 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -0.979 1.129 5.215 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.702 0.785 5.573 1.00 4.93 H new ATOM 799 N PRO A 53 2.360 3.019 2.964 1.00 4.54 N ATOM 800 CA PRO A 53 3.799 3.273 2.742 1.00 4.96 C ATOM 801 C PRO A 53 4.536 3.524 4.067 1.00 5.21 C ATOM 802 O PRO A 53 5.751 3.588 4.095 1.00 5.67 O ATOM 803 CB PRO A 53 3.814 4.508 1.833 1.00 5.26 C ATOM 804 CG PRO A 53 2.449 5.205 2.025 1.00 5.04 C ATOM 805 CD PRO A 53 1.476 4.117 2.513 1.00 4.55 C ATOM 0 HA PRO A 53 4.315 2.424 2.295 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.633 5.177 2.099 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.961 4.222 0.791 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.524 6.014 2.751 1.00 5.04 H new ATOM 0 HG3 PRO A 53 2.102 5.646 1.091 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.846 4.481 3.325 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.810 3.790 1.714 1.00 4.55 H new ATOM 813 N LYS A 54 3.818 3.645 5.165 1.00 5.18 N ATOM 814 CA LYS A 54 4.485 3.863 6.477 1.00 5.61 C ATOM 815 C LYS A 54 5.385 2.664 6.803 1.00 5.02 C ATOM 816 O LYS A 54 6.400 2.811 7.457 1.00 5.42 O ATOM 817 CB LYS A 54 3.430 4.019 7.575 1.00 6.23 C ATOM 818 CG LYS A 54 3.772 5.228 8.453 1.00 7.12 C ATOM 819 CD LYS A 54 4.588 4.769 9.664 1.00 7.85 C ATOM 820 CE LYS A 54 4.393 5.757 10.818 1.00 8.63 C ATOM 821 NZ LYS A 54 5.138 5.278 12.018 1.00 9.56 N ATOM 0 H LYS A 54 2.800 3.601 5.200 1.00 5.18 H new ATOM 0 HA LYS A 54 5.089 4.769 6.424 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.444 4.149 7.129 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.388 3.116 8.184 1.00 6.23 H new ATOM 0 HG2 LYS A 54 4.338 5.960 7.877 1.00 7.12 H new ATOM 0 HG3 LYS A 54 2.857 5.720 8.784 1.00 7.12 H new ATOM 0 HD2 LYS A 54 4.275 3.771 9.969 1.00 7.85 H new ATOM 0 HD3 LYS A 54 5.644 4.705 9.401 1.00 7.85 H new ATOM 0 HE2 LYS A 54 4.748 6.746 10.528 1.00 8.63 H new ATOM 0 HE3 LYS A 54 3.333 5.855 11.051 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 5.005 5.950 12.801 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 4.779 4.343 12.299 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 6.151 5.206 11.792 1.00 9.56 H new ATOM 835 N GLU A 55 5.029 1.480 6.344 1.00 4.37 N ATOM 836 CA GLU A 55 5.871 0.288 6.621 1.00 4.14 C ATOM 837 C GLU A 55 7.046 0.264 5.649 1.00 3.84 C ATOM 838 O GLU A 55 7.095 1.011 4.689 1.00 3.83 O ATOM 839 CB GLU A 55 5.048 -0.984 6.423 1.00 4.19 C ATOM 840 CG GLU A 55 4.079 -1.163 7.591 1.00 4.76 C ATOM 841 CD GLU A 55 2.789 -0.385 7.323 1.00 5.39 C ATOM 842 OE1 GLU A 55 2.051 -0.786 6.438 1.00 6.13 O ATOM 843 OE2 GLU A 55 2.561 0.599 8.007 1.00 5.43 O ATOM 0 H GLU A 55 4.191 1.299 5.791 1.00 4.37 H new ATOM 0 HA GLU A 55 6.232 0.337 7.648 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.495 -0.928 5.485 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.709 -1.848 6.352 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.854 -2.221 7.729 1.00 4.76 H new ATOM 0 HG3 GLU A 55 4.540 -0.812 8.514 1.00 4.76 H new ATOM 850 N ASN A 56 7.977 -0.613 5.883 1.00 3.90 N ATOM 851 CA ASN A 56 9.150 -0.732 4.976 1.00 3.93 C ATOM 852 C ASN A 56 8.897 -1.846 3.957 1.00 3.74 C ATOM 853 O ASN A 56 9.570 -1.928 2.948 1.00 3.89 O ATOM 854 CB ASN A 56 10.389 -1.056 5.793 1.00 4.29 C ATOM 855 CG ASN A 56 11.400 0.089 5.678 1.00 4.70 C ATOM 856 OD1 ASN A 56 11.156 1.181 6.153 1.00 4.90 O ATOM 857 ND2 ASN A 56 12.535 -0.115 5.064 1.00 5.15 N ATOM 0 H ASN A 56 7.976 -1.260 6.672 1.00 3.90 H new ATOM 0 HA ASN A 56 9.301 0.210 4.449 1.00 3.93 H new ATOM 0 HB2 ASN A 56 10.117 -1.210 6.837 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.836 -1.985 5.440 1.00 4.29 H new ATOM 0 HD21 ASN A 56 13.215 0.641 4.984 1.00 5.15 H new ATOM 0 HD22 ASN A 56 12.742 -1.031 4.665 1.00 5.15 H new ATOM 864 N TRP A 57 7.929 -2.700 4.208 1.00 3.55 N ATOM 865 CA TRP A 57 7.632 -3.794 3.256 1.00 3.47 C ATOM 866 C TRP A 57 6.742 -3.266 2.135 1.00 3.28 C ATOM 867 O TRP A 57 6.894 -3.641 0.996 1.00 3.48 O ATOM 868 CB TRP A 57 6.959 -4.958 3.991 1.00 3.64 C ATOM 869 CG TRP A 57 5.543 -4.656 4.350 1.00 3.70 C ATOM 870 CD1 TRP A 57 5.141 -4.251 5.560 1.00 4.08 C ATOM 871 CD2 TRP A 57 4.342 -4.746 3.528 1.00 3.51 C ATOM 872 NE1 TRP A 57 3.771 -4.112 5.554 1.00 4.20 N ATOM 873 CE2 TRP A 57 3.232 -4.388 4.322 1.00 3.80 C ATOM 874 CE3 TRP A 57 4.107 -5.097 2.187 1.00 3.27 C ATOM 875 CZ2 TRP A 57 1.934 -4.380 3.813 1.00 3.76 C ATOM 876 CZ3 TRP A 57 2.804 -5.088 1.670 1.00 3.17 C ATOM 877 CH2 TRP A 57 1.718 -4.729 2.479 1.00 3.38 C ATOM 0 H TRP A 57 7.336 -2.677 5.038 1.00 3.55 H new ATOM 0 HA TRP A 57 8.560 -4.161 2.818 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.991 -5.848 3.363 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.521 -5.187 4.897 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.787 -4.063 6.405 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.222 -3.837 6.368 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.935 -5.375 1.552 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 1.103 -4.106 4.446 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.636 -5.360 0.639 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.718 -4.722 2.072 1.00 3.38 H new ATOM 888 N VAL A 58 5.825 -2.389 2.453 1.00 3.02 N ATOM 889 CA VAL A 58 4.934 -1.818 1.398 1.00 2.84 C ATOM 890 C VAL A 58 5.786 -0.984 0.435 1.00 2.99 C ATOM 891 O VAL A 58 5.621 -1.050 -0.768 1.00 3.21 O ATOM 892 CB VAL A 58 3.872 -0.930 2.060 1.00 2.78 C ATOM 893 CG1 VAL A 58 3.392 0.154 1.091 1.00 2.80 C ATOM 894 CG2 VAL A 58 2.683 -1.783 2.485 1.00 2.85 C ATOM 0 H VAL A 58 5.654 -2.043 3.397 1.00 3.02 H new ATOM 0 HA VAL A 58 4.437 -2.618 0.848 1.00 2.84 H new ATOM 0 HB VAL A 58 4.318 -0.452 2.932 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.639 0.772 1.580 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.236 0.777 0.794 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.958 -0.314 0.207 1.00 2.80 H new ATOM 0 HG21 VAL A 58 1.930 -1.150 2.955 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.253 -2.269 1.610 1.00 2.85 H new ATOM 0 HG23 VAL A 58 3.014 -2.541 3.195 1.00 2.85 H new ATOM 904 N GLN A 59 6.698 -0.204 0.962 1.00 3.12 N ATOM 905 CA GLN A 59 7.568 0.636 0.095 1.00 3.61 C ATOM 906 C GLN A 59 8.613 -0.244 -0.610 1.00 3.90 C ATOM 907 O GLN A 59 9.039 0.057 -1.708 1.00 4.47 O ATOM 908 CB GLN A 59 8.246 1.705 0.947 1.00 3.82 C ATOM 909 CG GLN A 59 9.157 1.030 1.958 1.00 4.33 C ATOM 910 CD GLN A 59 9.782 2.076 2.885 1.00 4.72 C ATOM 911 OE1 GLN A 59 9.083 2.760 3.608 1.00 4.84 O ATOM 912 NE2 GLN A 59 11.078 2.228 2.900 1.00 5.29 N ATOM 0 H GLN A 59 6.875 -0.116 1.963 1.00 3.12 H new ATOM 0 HA GLN A 59 6.964 1.125 -0.669 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.822 2.381 0.315 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.497 2.308 1.460 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.590 0.306 2.544 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.941 0.477 1.440 1.00 4.33 H new ATOM 0 HE21 GLN A 59 11.666 1.655 2.294 1.00 5.29 H new ATOM 0 HE22 GLN A 59 11.503 2.920 3.517 1.00 5.29 H new ATOM 921 N ARG A 60 9.003 -1.344 -0.004 1.00 3.65 N ATOM 922 CA ARG A 60 9.989 -2.254 -0.657 1.00 3.97 C ATOM 923 C ARG A 60 9.241 -3.096 -1.688 1.00 3.96 C ATOM 924 O ARG A 60 9.714 -3.319 -2.786 1.00 4.42 O ATOM 925 CB ARG A 60 10.623 -3.176 0.387 1.00 4.07 C ATOM 926 CG ARG A 60 11.851 -2.499 1.003 1.00 4.60 C ATOM 927 CD ARG A 60 12.728 -3.553 1.690 1.00 4.81 C ATOM 928 NE ARG A 60 11.960 -4.209 2.792 1.00 5.26 N ATOM 929 CZ ARG A 60 12.590 -4.723 3.816 1.00 5.84 C ATOM 930 NH1 ARG A 60 13.462 -5.684 3.641 1.00 6.35 N ATOM 931 NH2 ARG A 60 12.340 -4.280 5.021 1.00 6.25 N ATOM 0 H ARG A 60 8.678 -1.646 0.914 1.00 3.65 H new ATOM 0 HA ARG A 60 10.778 -1.671 -1.133 1.00 3.97 H new ATOM 0 HB2 ARG A 60 9.898 -3.411 1.166 1.00 4.07 H new ATOM 0 HB3 ARG A 60 10.911 -4.120 -0.076 1.00 4.07 H new ATOM 0 HG2 ARG A 60 12.421 -1.984 0.230 1.00 4.60 H new ATOM 0 HG3 ARG A 60 11.539 -1.744 1.725 1.00 4.60 H new ATOM 0 HD2 ARG A 60 13.051 -4.300 0.965 1.00 4.81 H new ATOM 0 HD3 ARG A 60 13.628 -3.086 2.089 1.00 4.81 H new ATOM 0 HE ARG A 60 10.942 -4.256 2.745 1.00 5.26 H new ATOM 0 HH11 ARG A 60 13.653 -6.035 2.702 1.00 6.35 H new ATOM 0 HH12 ARG A 60 13.951 -6.081 4.443 1.00 6.35 H new ATOM 0 HH21 ARG A 60 11.656 -3.536 5.159 1.00 6.25 H new ATOM 0 HH22 ARG A 60 12.829 -4.678 5.822 1.00 6.25 H new ATOM 945 N VAL A 61 8.060 -3.550 -1.336 1.00 3.58 N ATOM 946 CA VAL A 61 7.239 -4.367 -2.275 1.00 3.55 C ATOM 947 C VAL A 61 6.870 -3.517 -3.497 1.00 3.25 C ATOM 948 O VAL A 61 6.918 -3.982 -4.620 1.00 3.52 O ATOM 949 CB VAL A 61 5.966 -4.828 -1.544 1.00 3.59 C ATOM 950 CG1 VAL A 61 4.890 -5.243 -2.548 1.00 3.56 C ATOM 951 CG2 VAL A 61 6.304 -6.015 -0.638 1.00 4.31 C ATOM 0 H VAL A 61 7.629 -3.385 -0.426 1.00 3.58 H new ATOM 0 HA VAL A 61 7.801 -5.239 -2.610 1.00 3.55 H new ATOM 0 HB VAL A 61 5.584 -4.000 -0.946 1.00 3.59 H new ATOM 0 HG11 VAL A 61 3.997 -5.566 -2.012 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.643 -4.396 -3.187 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.262 -6.064 -3.161 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.404 -6.344 -0.119 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.694 -6.834 -1.242 1.00 4.31 H new ATOM 0 HG23 VAL A 61 7.055 -5.713 0.092 1.00 4.31 H new ATOM 961 N VAL A 62 6.511 -2.274 -3.285 1.00 2.99 N ATOM 962 CA VAL A 62 6.148 -1.386 -4.430 1.00 3.22 C ATOM 963 C VAL A 62 7.405 -1.096 -5.266 1.00 3.80 C ATOM 964 O VAL A 62 7.336 -0.995 -6.475 1.00 4.15 O ATOM 965 CB VAL A 62 5.552 -0.071 -3.897 1.00 3.53 C ATOM 966 CG1 VAL A 62 5.435 0.954 -5.031 1.00 4.40 C ATOM 967 CG2 VAL A 62 4.158 -0.337 -3.318 1.00 3.34 C ATOM 0 H VAL A 62 6.454 -1.837 -2.365 1.00 2.99 H new ATOM 0 HA VAL A 62 5.406 -1.880 -5.057 1.00 3.22 H new ATOM 0 HB VAL A 62 6.208 0.323 -3.121 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.012 1.880 -4.642 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.423 1.152 -5.446 1.00 4.40 H new ATOM 0 HG13 VAL A 62 4.786 0.559 -5.813 1.00 4.40 H new ATOM 0 HG21 VAL A 62 3.737 0.595 -2.941 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.511 -0.738 -4.098 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.234 -1.057 -2.503 1.00 3.34 H new ATOM 977 N GLU A 63 8.550 -0.969 -4.633 1.00 4.04 N ATOM 978 CA GLU A 63 9.801 -0.694 -5.390 1.00 4.68 C ATOM 979 C GLU A 63 10.219 -1.944 -6.173 1.00 4.70 C ATOM 980 O GLU A 63 10.556 -1.862 -7.338 1.00 5.23 O ATOM 981 CB GLU A 63 10.922 -0.294 -4.420 1.00 5.11 C ATOM 982 CG GLU A 63 11.174 1.214 -4.523 1.00 5.73 C ATOM 983 CD GLU A 63 10.124 1.974 -3.704 1.00 6.00 C ATOM 984 OE1 GLU A 63 8.988 2.045 -4.146 1.00 6.04 O ATOM 985 OE2 GLU A 63 10.476 2.474 -2.648 1.00 6.46 O ATOM 0 H GLU A 63 8.665 -1.045 -3.622 1.00 4.04 H new ATOM 0 HA GLU A 63 9.622 0.125 -6.087 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.646 -0.558 -3.399 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.834 -0.843 -4.655 1.00 5.11 H new ATOM 0 HG2 GLU A 63 12.174 1.450 -4.158 1.00 5.73 H new ATOM 0 HG3 GLU A 63 11.132 1.528 -5.566 1.00 5.73 H new ATOM 992 N LYS A 64 10.192 -3.098 -5.548 1.00 4.35 N ATOM 993 CA LYS A 64 10.579 -4.351 -6.254 1.00 4.71 C ATOM 994 C LYS A 64 9.573 -4.653 -7.375 1.00 4.54 C ATOM 995 O LYS A 64 9.931 -5.178 -8.413 1.00 5.00 O ATOM 996 CB LYS A 64 10.593 -5.516 -5.258 1.00 4.74 C ATOM 997 CG LYS A 64 11.789 -6.427 -5.548 1.00 5.62 C ATOM 998 CD LYS A 64 11.558 -7.798 -4.902 1.00 6.24 C ATOM 999 CE LYS A 64 11.959 -7.747 -3.424 1.00 7.07 C ATOM 1000 NZ LYS A 64 10.734 -7.691 -2.575 1.00 7.79 N ATOM 0 H LYS A 64 9.916 -3.221 -4.574 1.00 4.35 H new ATOM 0 HA LYS A 64 11.572 -4.225 -6.686 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.652 -5.135 -4.238 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.665 -6.083 -5.333 1.00 4.74 H new ATOM 0 HG2 LYS A 64 11.922 -6.538 -6.624 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.703 -5.979 -5.158 1.00 5.62 H new ATOM 0 HD2 LYS A 64 10.510 -8.082 -4.995 1.00 6.24 H new ATOM 0 HD3 LYS A 64 12.142 -8.558 -5.421 1.00 6.24 H new ATOM 0 HE2 LYS A 64 12.552 -8.625 -3.167 1.00 7.07 H new ATOM 0 HE3 LYS A 64 12.584 -6.874 -3.236 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 11.008 -7.656 -1.572 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 10.185 -6.841 -2.813 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 10.154 -8.537 -2.746 1.00 7.79 H new ATOM 1014 N PHE A 65 8.318 -4.329 -7.165 1.00 4.02 N ATOM 1015 CA PHE A 65 7.277 -4.595 -8.198 1.00 3.99 C ATOM 1016 C PHE A 65 7.345 -3.531 -9.303 1.00 4.72 C ATOM 1017 O PHE A 65 7.232 -3.837 -10.475 1.00 5.31 O ATOM 1018 CB PHE A 65 5.908 -4.544 -7.520 1.00 3.16 C ATOM 1019 CG PHE A 65 4.924 -5.417 -8.261 1.00 3.02 C ATOM 1020 CD1 PHE A 65 5.002 -6.813 -8.157 1.00 3.45 C ATOM 1021 CD2 PHE A 65 3.929 -4.829 -9.048 1.00 2.97 C ATOM 1022 CE1 PHE A 65 4.084 -7.616 -8.845 1.00 3.48 C ATOM 1023 CE2 PHE A 65 3.011 -5.632 -9.735 1.00 3.10 C ATOM 1024 CZ PHE A 65 3.089 -7.026 -9.634 1.00 3.19 C ATOM 0 H PHE A 65 7.972 -3.888 -6.313 1.00 4.02 H new ATOM 0 HA PHE A 65 7.442 -5.573 -8.649 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.994 -4.878 -6.486 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.545 -3.516 -7.494 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.769 -7.268 -7.547 1.00 3.45 H new ATOM 0 HD2 PHE A 65 3.869 -3.754 -9.126 1.00 2.97 H new ATOM 0 HE1 PHE A 65 4.143 -8.692 -8.767 1.00 3.48 H new ATOM 0 HE2 PHE A 65 2.243 -5.176 -10.343 1.00 3.10 H new ATOM 0 HZ PHE A 65 2.382 -7.646 -10.165 1.00 3.19 H new ATOM 1034 N LEU A 66 7.518 -2.284 -8.935 1.00 4.92 N ATOM 1035 CA LEU A 66 7.581 -1.188 -9.956 1.00 5.86 C ATOM 1036 C LEU A 66 8.908 -1.248 -10.731 1.00 6.61 C ATOM 1037 O LEU A 66 8.928 -1.092 -11.938 1.00 7.33 O ATOM 1038 CB LEU A 66 7.462 0.170 -9.255 1.00 6.18 C ATOM 1039 CG LEU A 66 7.241 1.273 -10.298 1.00 7.14 C ATOM 1040 CD1 LEU A 66 5.743 1.562 -10.431 1.00 7.61 C ATOM 1041 CD2 LEU A 66 7.972 2.545 -9.859 1.00 7.67 C ATOM 0 H LEU A 66 7.619 -1.976 -7.968 1.00 4.92 H new ATOM 0 HA LEU A 66 6.758 -1.316 -10.659 1.00 5.86 H new ATOM 0 HB2 LEU A 66 6.633 0.154 -8.548 1.00 6.18 H new ATOM 0 HB3 LEU A 66 8.366 0.374 -8.681 1.00 6.18 H new ATOM 0 HG LEU A 66 7.632 0.944 -11.261 1.00 7.14 H new ATOM 0 HD11 LEU A 66 5.588 2.346 -11.172 1.00 7.61 H new ATOM 0 HD12 LEU A 66 5.224 0.657 -10.746 1.00 7.61 H new ATOM 0 HD13 LEU A 66 5.349 1.890 -9.469 1.00 7.61 H new ATOM 0 HD21 LEU A 66 7.815 3.329 -10.600 1.00 7.67 H new ATOM 0 HD22 LEU A 66 7.583 2.874 -8.895 1.00 7.67 H new ATOM 0 HD23 LEU A 66 9.039 2.339 -9.769 1.00 7.67 H new ATOM 1053 N LYS A 67 10.012 -1.461 -10.049 1.00 6.57 N ATOM 1054 CA LYS A 67 11.336 -1.516 -10.750 1.00 7.47 C ATOM 1055 C LYS A 67 11.395 -2.750 -11.660 1.00 7.85 C ATOM 1056 O LYS A 67 11.599 -3.861 -11.204 1.00 8.14 O ATOM 1057 CB LYS A 67 12.469 -1.582 -9.715 1.00 7.84 C ATOM 1058 CG LYS A 67 13.731 -0.931 -10.290 1.00 8.78 C ATOM 1059 CD LYS A 67 14.629 -2.001 -10.922 1.00 9.42 C ATOM 1060 CE LYS A 67 15.698 -2.439 -9.915 1.00 10.12 C ATOM 1061 NZ LYS A 67 16.719 -3.280 -10.603 1.00 10.40 N ATOM 0 H LYS A 67 10.052 -1.599 -9.039 1.00 6.57 H new ATOM 0 HA LYS A 67 11.455 -0.619 -11.357 1.00 7.47 H new ATOM 0 HB2 LYS A 67 12.169 -1.071 -8.800 1.00 7.84 H new ATOM 0 HB3 LYS A 67 12.672 -2.619 -9.449 1.00 7.84 H new ATOM 0 HG2 LYS A 67 13.458 -0.186 -11.037 1.00 8.78 H new ATOM 0 HG3 LYS A 67 14.273 -0.409 -9.501 1.00 8.78 H new ATOM 0 HD2 LYS A 67 14.030 -2.859 -11.227 1.00 9.42 H new ATOM 0 HD3 LYS A 67 15.102 -1.607 -11.821 1.00 9.42 H new ATOM 0 HE2 LYS A 67 16.173 -1.565 -9.470 1.00 10.12 H new ATOM 0 HE3 LYS A 67 15.238 -3.000 -9.102 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 17.443 -3.576 -9.918 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 16.260 -4.121 -11.008 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 17.166 -2.730 -11.364 1.00 10.40 H new ATOM 1075 N ARG A 68 11.217 -2.553 -12.945 1.00 8.12 N ATOM 1076 CA ARG A 68 11.256 -3.696 -13.912 1.00 8.78 C ATOM 1077 C ARG A 68 11.259 -3.149 -15.346 1.00 8.99 C ATOM 1078 O ARG A 68 11.395 -1.958 -15.566 1.00 8.81 O ATOM 1079 CB ARG A 68 10.020 -4.583 -13.709 1.00 9.33 C ATOM 1080 CG ARG A 68 10.423 -5.876 -12.994 1.00 9.61 C ATOM 1081 CD ARG A 68 9.563 -7.037 -13.502 1.00 10.05 C ATOM 1082 NE ARG A 68 10.392 -8.275 -13.574 1.00 10.53 N ATOM 1083 CZ ARG A 68 10.305 -9.179 -12.633 1.00 10.90 C ATOM 1084 NH1 ARG A 68 10.918 -8.995 -11.491 1.00 11.35 N ATOM 1085 NH2 ARG A 68 9.606 -10.266 -12.834 1.00 11.02 N ATOM 0 H ARG A 68 11.045 -1.641 -13.368 1.00 8.12 H new ATOM 0 HA ARG A 68 12.157 -4.285 -13.742 1.00 8.78 H new ATOM 0 HB2 ARG A 68 9.271 -4.051 -13.123 1.00 9.33 H new ATOM 0 HB3 ARG A 68 9.565 -4.815 -14.672 1.00 9.33 H new ATOM 0 HG2 ARG A 68 11.478 -6.087 -13.171 1.00 9.61 H new ATOM 0 HG3 ARG A 68 10.297 -5.762 -11.917 1.00 9.61 H new ATOM 0 HD2 ARG A 68 8.714 -7.193 -12.836 1.00 10.05 H new ATOM 0 HD3 ARG A 68 9.158 -6.800 -14.486 1.00 10.05 H new ATOM 0 HE ARG A 68 11.028 -8.417 -14.359 1.00 10.53 H new ATOM 0 HH11 ARG A 68 11.463 -8.147 -11.336 1.00 11.35 H new ATOM 0 HH12 ARG A 68 10.851 -9.700 -10.757 1.00 11.35 H new ATOM 0 HH21 ARG A 68 9.129 -10.408 -13.724 1.00 11.02 H new ATOM 0 HH22 ARG A 68 9.538 -10.971 -12.100 1.00 11.02 H new ATOM 1099 N ALA A 69 11.102 -4.011 -16.321 1.00 9.61 N ATOM 1100 CA ALA A 69 11.085 -3.553 -17.745 1.00 10.14 C ATOM 1101 C ALA A 69 9.839 -2.690 -17.979 1.00 10.89 C ATOM 1102 O ALA A 69 8.721 -3.164 -17.881 1.00 11.20 O ATOM 1103 CB ALA A 69 11.051 -4.769 -18.676 1.00 10.08 C ATOM 0 H ALA A 69 10.984 -5.016 -16.191 1.00 9.61 H new ATOM 0 HA ALA A 69 11.981 -2.968 -17.953 1.00 10.14 H new ATOM 0 HB1 ALA A 69 11.039 -4.433 -19.713 1.00 10.08 H new ATOM 0 HB2 ALA A 69 11.935 -5.384 -18.504 1.00 10.08 H new ATOM 0 HB3 ALA A 69 10.155 -5.357 -18.474 1.00 10.08 H new ATOM 1109 N GLU A 70 10.023 -1.425 -18.274 1.00 11.37 N ATOM 1110 CA GLU A 70 8.852 -0.523 -18.501 1.00 12.24 C ATOM 1111 C GLU A 70 8.678 -0.253 -20.000 1.00 12.45 C ATOM 1112 O GLU A 70 7.630 -0.516 -20.562 1.00 12.32 O ATOM 1113 CB GLU A 70 9.075 0.798 -17.759 1.00 12.79 C ATOM 1114 CG GLU A 70 8.817 0.592 -16.262 1.00 12.48 C ATOM 1115 CD GLU A 70 9.751 1.493 -15.448 1.00 13.18 C ATOM 1116 OE1 GLU A 70 10.904 1.125 -15.283 1.00 13.39 O ATOM 1117 OE2 GLU A 70 9.297 2.533 -14.999 1.00 13.63 O ATOM 0 H GLU A 70 10.935 -0.979 -18.367 1.00 11.37 H new ATOM 0 HA GLU A 70 7.950 -1.005 -18.123 1.00 12.24 H new ATOM 0 HB2 GLU A 70 10.094 1.150 -17.918 1.00 12.79 H new ATOM 0 HB3 GLU A 70 8.408 1.565 -18.152 1.00 12.79 H new ATOM 0 HG2 GLU A 70 7.778 0.823 -16.027 1.00 12.48 H new ATOM 0 HG3 GLU A 70 8.980 -0.452 -15.995 1.00 12.48 H new ATOM 1124 N ASN A 71 9.688 0.273 -20.652 1.00 12.96 N ATOM 1125 CA ASN A 71 9.571 0.562 -22.114 1.00 13.39 C ATOM 1126 C ASN A 71 10.946 0.457 -22.785 1.00 13.77 C ATOM 1127 O ASN A 71 11.971 0.640 -22.153 1.00 13.98 O ATOM 1128 CB ASN A 71 9.013 1.976 -22.309 1.00 13.14 C ATOM 1129 CG ASN A 71 8.202 2.032 -23.608 1.00 12.70 C ATOM 1130 OD1 ASN A 71 7.044 1.665 -23.631 1.00 12.77 O ATOM 1131 ND2 ASN A 71 8.765 2.480 -24.699 1.00 12.41 N ATOM 0 H ASN A 71 10.587 0.514 -20.234 1.00 12.96 H new ATOM 0 HA ASN A 71 8.899 -0.165 -22.569 1.00 13.39 H new ATOM 0 HB2 ASN A 71 8.383 2.249 -21.463 1.00 13.14 H new ATOM 0 HB3 ASN A 71 9.829 2.698 -22.346 1.00 13.14 H new ATOM 0 HD21 ASN A 71 8.232 2.521 -25.568 1.00 12.41 H new ATOM 0 HD22 ASN A 71 9.737 2.789 -24.682 1.00 12.41 H new ATOM 1138 N SER A 72 10.964 0.163 -24.069 1.00 14.02 N ATOM 1139 CA SER A 72 12.257 0.038 -24.823 1.00 14.59 C ATOM 1140 C SER A 72 13.100 -1.130 -24.264 1.00 15.09 C ATOM 1141 O SER A 72 12.533 -1.996 -23.615 1.00 15.38 O ATOM 1142 CB SER A 72 13.047 1.353 -24.718 1.00 14.66 C ATOM 1143 OG SER A 72 12.193 2.446 -25.033 1.00 14.60 O ATOM 1144 OXT SER A 72 14.297 -1.144 -24.507 1.00 15.30 O ATOM 0 H SER A 72 10.128 0.003 -24.631 1.00 14.02 H new ATOM 0 HA SER A 72 12.034 -0.167 -25.870 1.00 14.59 H new ATOM 0 HB2 SER A 72 13.448 1.469 -23.711 1.00 14.66 H new ATOM 0 HB3 SER A 72 13.898 1.334 -25.399 1.00 14.66 H new ATOM 0 HG SER A 72 12.696 3.284 -24.964 1.00 14.60 H new TER 1150 SER A 72