USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 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= 0.0136 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc=-0.000537 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00524 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= -12.2! 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= -1.71 K(o=-1.7,f=-2.7!) USER MOD Single : A 36 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.59) 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= -0.0529 X(o=-0.053,f=-0.36) USER MOD Single : A 59 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.18) 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 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -9.851 16.227 -10.121 1.00 9.58 N ATOM 2 CA GLU A 4 -9.162 15.715 -8.896 1.00 9.09 C ATOM 3 C GLU A 4 -9.790 14.383 -8.462 1.00 8.06 C ATOM 4 O GLU A 4 -10.883 14.037 -8.876 1.00 8.10 O ATOM 5 CB GLU A 4 -9.308 16.735 -7.761 1.00 9.77 C ATOM 6 CG GLU A 4 -8.231 17.817 -7.897 1.00 10.24 C ATOM 7 CD GLU A 4 -8.846 19.083 -8.501 1.00 11.04 C ATOM 8 OE1 GLU A 4 -9.416 19.859 -7.749 1.00 11.36 O ATOM 9 OE2 GLU A 4 -8.737 19.257 -9.704 1.00 11.49 O ATOM 0 HA GLU A 4 -8.106 15.562 -9.119 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -10.299 17.189 -7.792 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -9.216 16.236 -6.796 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -7.800 18.040 -6.921 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -7.419 17.458 -8.529 1.00 10.24 H new ATOM 16 N LEU A 5 -9.109 13.642 -7.621 1.00 7.36 N ATOM 17 CA LEU A 5 -9.658 12.334 -7.143 1.00 6.53 C ATOM 18 C LEU A 5 -9.528 12.256 -5.618 1.00 6.17 C ATOM 19 O LEU A 5 -8.446 12.369 -5.075 1.00 6.61 O ATOM 20 CB LEU A 5 -8.892 11.169 -7.792 1.00 6.34 C ATOM 21 CG LEU A 5 -7.384 11.314 -7.541 1.00 7.26 C ATOM 22 CD1 LEU A 5 -6.911 10.204 -6.597 1.00 7.60 C ATOM 23 CD2 LEU A 5 -6.634 11.205 -8.872 1.00 7.86 C ATOM 0 H LEU A 5 -8.194 13.888 -7.244 1.00 7.36 H new ATOM 0 HA LEU A 5 -10.709 12.262 -7.424 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -9.245 10.222 -7.385 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -9.088 11.149 -8.864 1.00 6.34 H new ATOM 0 HG LEU A 5 -7.184 12.285 -7.087 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -5.841 10.308 -6.420 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -7.445 10.280 -5.650 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -7.111 9.232 -7.049 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -5.563 11.308 -8.696 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -6.836 10.234 -9.325 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -6.969 11.995 -9.544 1.00 7.86 H new ATOM 35 N ARG A 6 -10.623 12.062 -4.923 1.00 5.61 N ATOM 36 CA ARG A 6 -10.571 11.978 -3.431 1.00 5.48 C ATOM 37 C ARG A 6 -9.777 10.738 -3.000 1.00 4.69 C ATOM 38 O ARG A 6 -9.345 9.944 -3.819 1.00 4.64 O ATOM 39 CB ARG A 6 -11.996 11.883 -2.877 1.00 6.06 C ATOM 40 CG ARG A 6 -12.654 13.265 -2.894 1.00 6.84 C ATOM 41 CD ARG A 6 -13.626 13.383 -1.717 1.00 7.76 C ATOM 42 NE ARG A 6 -13.987 14.814 -1.504 1.00 8.57 N ATOM 43 CZ ARG A 6 -13.138 15.628 -0.933 1.00 9.27 C ATOM 44 NH1 ARG A 6 -12.999 15.620 0.369 1.00 9.70 N ATOM 45 NH2 ARG A 6 -12.428 16.450 -1.664 1.00 9.77 N ATOM 0 H ARG A 6 -11.554 11.958 -5.327 1.00 5.61 H new ATOM 0 HA ARG A 6 -10.081 12.870 -3.042 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -12.582 11.184 -3.474 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -11.975 11.493 -1.859 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -11.893 14.043 -2.830 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -13.185 13.415 -3.834 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -14.524 12.797 -1.914 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -13.171 12.975 -0.815 1.00 7.76 H new ATOM 0 HE ARG A 6 -14.899 15.159 -1.805 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -13.553 14.979 0.937 1.00 9.70 H new ATOM 0 HH12 ARG A 6 -12.337 16.255 0.815 1.00 9.70 H new ATOM 0 HH21 ARG A 6 -12.537 16.455 -2.678 1.00 9.77 H new ATOM 0 HH22 ARG A 6 -11.765 17.085 -1.219 1.00 9.77 H new ATOM 59 N CYS A 7 -9.588 10.566 -1.715 1.00 4.47 N ATOM 60 CA CYS A 7 -8.833 9.385 -1.208 1.00 4.05 C ATOM 61 C CYS A 7 -9.676 8.122 -1.418 1.00 4.38 C ATOM 62 O CYS A 7 -10.678 7.915 -0.756 1.00 4.93 O ATOM 63 CB CYS A 7 -8.535 9.574 0.284 1.00 4.32 C ATOM 64 SG CYS A 7 -7.885 11.243 0.575 1.00 4.79 S ATOM 0 H CYS A 7 -9.928 11.200 -0.992 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.892 9.285 -1.749 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -9.443 9.421 0.868 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.812 8.829 0.617 1.00 4.32 H new ATOM 69 N GLN A 8 -9.277 7.283 -2.345 1.00 4.51 N ATOM 70 CA GLN A 8 -10.042 6.030 -2.626 1.00 5.30 C ATOM 71 C GLN A 8 -10.003 5.091 -1.408 1.00 5.47 C ATOM 72 O GLN A 8 -10.861 4.243 -1.254 1.00 6.21 O ATOM 73 CB GLN A 8 -9.417 5.322 -3.833 1.00 5.63 C ATOM 74 CG GLN A 8 -9.542 6.205 -5.081 1.00 6.22 C ATOM 75 CD GLN A 8 -10.839 5.870 -5.823 1.00 7.21 C ATOM 76 OE1 GLN A 8 -11.899 6.335 -5.454 1.00 7.78 O ATOM 77 NE2 GLN A 8 -10.800 5.081 -6.864 1.00 7.68 N ATOM 0 H GLN A 8 -8.447 7.416 -2.923 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.080 6.287 -2.837 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -8.367 5.105 -3.635 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -9.914 4.367 -4.002 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -9.536 7.257 -4.796 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -8.686 6.048 -5.737 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -9.911 4.690 -7.175 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -11.659 4.856 -7.366 1.00 7.68 H new ATOM 86 N CYS A 9 -9.017 5.231 -0.547 1.00 5.04 N ATOM 87 CA CYS A 9 -8.929 4.343 0.651 1.00 5.45 C ATOM 88 C CYS A 9 -8.857 5.180 1.931 1.00 5.99 C ATOM 89 O CYS A 9 -7.872 5.845 2.195 1.00 6.13 O ATOM 90 CB CYS A 9 -7.678 3.464 0.548 1.00 5.08 C ATOM 91 SG CYS A 9 -8.147 1.799 0.015 1.00 5.12 S ATOM 0 H CYS A 9 -8.272 5.923 -0.627 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.819 3.715 0.688 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.973 3.899 -0.161 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.173 3.419 1.513 1.00 5.08 H new ATOM 96 N ILE A 10 -9.884 5.123 2.747 1.00 6.61 N ATOM 97 CA ILE A 10 -9.864 5.883 4.035 1.00 7.44 C ATOM 98 C ILE A 10 -8.802 5.249 4.947 1.00 7.48 C ATOM 99 O ILE A 10 -8.157 5.923 5.729 1.00 8.16 O ATOM 100 CB ILE A 10 -11.244 5.810 4.709 1.00 8.38 C ATOM 101 CG1 ILE A 10 -12.304 6.421 3.781 1.00 8.63 C ATOM 102 CG2 ILE A 10 -11.221 6.590 6.027 1.00 9.31 C ATOM 103 CD1 ILE A 10 -13.550 5.530 3.764 1.00 9.47 C ATOM 0 H ILE A 10 -10.733 4.584 2.576 1.00 6.61 H new ATOM 0 HA ILE A 10 -9.626 6.931 3.850 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.487 4.766 4.908 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -12.566 7.423 4.122 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.904 6.522 2.772 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -12.202 6.535 6.500 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -10.473 6.159 6.692 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -10.972 7.633 5.829 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -14.300 5.966 3.105 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -13.282 4.537 3.402 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.955 5.452 4.773 1.00 9.47 H new ATOM 115 N LYS A 11 -8.609 3.953 4.824 1.00 6.93 N ATOM 116 CA LYS A 11 -7.584 3.241 5.644 1.00 7.15 C ATOM 117 C LYS A 11 -6.683 2.437 4.700 1.00 6.42 C ATOM 118 O LYS A 11 -7.114 2.003 3.646 1.00 6.35 O ATOM 119 CB LYS A 11 -8.280 2.294 6.628 1.00 8.05 C ATOM 120 CG LYS A 11 -8.748 3.081 7.853 1.00 8.65 C ATOM 121 CD LYS A 11 -9.863 2.306 8.561 1.00 9.04 C ATOM 122 CE LYS A 11 -10.514 3.196 9.625 1.00 9.50 C ATOM 123 NZ LYS A 11 -9.790 3.044 10.920 1.00 9.69 N ATOM 0 H LYS A 11 -9.128 3.355 4.180 1.00 6.93 H new ATOM 0 HA LYS A 11 -6.988 3.959 6.208 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -9.131 1.813 6.145 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -7.596 1.502 6.932 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -7.913 3.243 8.535 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -9.109 4.064 7.551 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -10.610 1.982 7.837 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -9.457 1.407 9.024 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -10.491 4.238 9.305 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -11.562 2.923 9.749 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -10.235 3.649 11.639 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -9.834 2.052 11.228 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -8.796 3.325 10.797 1.00 9.69 H new ATOM 137 N THR A 12 -5.434 2.245 5.053 1.00 6.02 N ATOM 138 CA THR A 12 -4.515 1.482 4.151 1.00 5.35 C ATOM 139 C THR A 12 -4.208 0.094 4.713 1.00 5.31 C ATOM 140 O THR A 12 -4.783 -0.342 5.694 1.00 5.80 O ATOM 141 CB THR A 12 -3.203 2.249 3.951 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.033 3.217 4.982 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.235 2.932 2.589 1.00 5.32 C ATOM 0 H THR A 12 -5.014 2.581 5.920 1.00 6.02 H new ATOM 0 HA THR A 12 -5.020 1.365 3.192 1.00 5.35 H new ATOM 0 HB THR A 12 -2.364 1.554 3.995 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.191 3.698 4.843 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.306 3.481 2.435 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.346 2.180 1.807 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.076 3.624 2.549 1.00 5.32 H new ATOM 151 N TYR A 13 -3.307 -0.605 4.068 1.00 4.96 N ATOM 152 CA TYR A 13 -2.940 -1.977 4.504 1.00 5.03 C ATOM 153 C TYR A 13 -1.673 -1.935 5.362 1.00 5.08 C ATOM 154 O TYR A 13 -0.661 -1.380 4.970 1.00 4.67 O ATOM 155 CB TYR A 13 -2.683 -2.830 3.258 1.00 4.85 C ATOM 156 CG TYR A 13 -2.868 -4.292 3.565 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.839 -4.705 4.482 1.00 5.34 C ATOM 158 CD2 TYR A 13 -2.057 -5.232 2.926 1.00 5.75 C ATOM 159 CE1 TYR A 13 -3.999 -6.067 4.764 1.00 5.79 C ATOM 160 CE2 TYR A 13 -2.215 -6.597 3.205 1.00 6.30 C ATOM 161 CZ TYR A 13 -3.186 -7.013 4.125 1.00 6.23 C ATOM 162 OH TYR A 13 -3.343 -8.357 4.401 1.00 6.84 O ATOM 0 H TYR A 13 -2.805 -0.272 3.245 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.750 -2.404 5.095 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.364 -2.532 2.461 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.670 -2.655 2.894 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.465 -3.974 4.972 1.00 5.34 H new ATOM 0 HD2 TYR A 13 -1.309 -4.908 2.218 1.00 5.75 H new ATOM 0 HE1 TYR A 13 -4.748 -6.388 5.473 1.00 5.79 H new ATOM 0 HE2 TYR A 13 -1.589 -7.326 2.712 1.00 6.30 H new ATOM 0 HH TYR A 13 -2.702 -8.877 3.873 1.00 6.84 H new ATOM 172 N SER A 14 -1.724 -2.535 6.524 1.00 5.82 N ATOM 173 CA SER A 14 -0.530 -2.563 7.422 1.00 6.06 C ATOM 174 C SER A 14 0.119 -3.949 7.359 1.00 6.51 C ATOM 175 O SER A 14 1.325 -4.078 7.468 1.00 6.88 O ATOM 176 CB SER A 14 -0.959 -2.262 8.862 1.00 6.42 C ATOM 177 OG SER A 14 -1.432 -0.923 8.943 1.00 6.80 O ATOM 0 H SER A 14 -2.548 -3.010 6.892 1.00 5.82 H new ATOM 0 HA SER A 14 0.187 -1.809 7.097 1.00 6.06 H new ATOM 0 HB2 SER A 14 -1.741 -2.955 9.173 1.00 6.42 H new ATOM 0 HB3 SER A 14 -0.118 -2.404 9.541 1.00 6.42 H new ATOM 0 HG SER A 14 -1.709 -0.729 9.863 1.00 6.80 H new ATOM 183 N LYS A 15 -0.668 -4.985 7.168 1.00 6.59 N ATOM 184 CA LYS A 15 -0.090 -6.361 7.078 1.00 7.06 C ATOM 185 C LYS A 15 0.603 -6.504 5.718 1.00 6.32 C ATOM 186 O LYS A 15 0.099 -6.030 4.722 1.00 6.13 O ATOM 187 CB LYS A 15 -1.179 -7.438 7.190 1.00 7.75 C ATOM 188 CG LYS A 15 -2.430 -6.898 7.900 1.00 8.64 C ATOM 189 CD LYS A 15 -3.297 -8.070 8.370 1.00 9.43 C ATOM 190 CE LYS A 15 -4.661 -7.551 8.841 1.00 10.20 C ATOM 191 NZ LYS A 15 -4.556 -7.049 10.242 1.00 10.59 N ATOM 0 H LYS A 15 -1.682 -4.934 7.071 1.00 6.59 H new ATOM 0 HA LYS A 15 0.612 -6.498 7.900 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.448 -7.791 6.194 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.789 -8.296 7.738 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -2.140 -6.282 8.751 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -2.998 -6.260 7.223 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -3.430 -8.784 7.558 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -2.799 -8.600 9.182 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -5.003 -6.752 8.183 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -5.402 -8.348 8.785 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -5.484 -6.699 10.556 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -4.249 -7.822 10.866 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -3.862 -6.276 10.283 1.00 10.59 H new ATOM 205 N PRO A 16 1.747 -7.136 5.720 1.00 6.02 N ATOM 206 CA PRO A 16 2.547 -7.337 4.500 1.00 5.35 C ATOM 207 C PRO A 16 2.064 -8.561 3.716 1.00 5.50 C ATOM 208 O PRO A 16 1.401 -9.433 4.249 1.00 6.37 O ATOM 209 CB PRO A 16 3.955 -7.560 5.046 1.00 5.39 C ATOM 210 CG PRO A 16 3.794 -8.051 6.507 1.00 6.26 C ATOM 211 CD PRO A 16 2.354 -7.706 6.935 1.00 6.51 C ATOM 0 HA PRO A 16 2.481 -6.501 3.803 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.490 -8.297 4.447 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.535 -6.638 5.009 1.00 5.39 H new ATOM 0 HG2 PRO A 16 3.972 -9.124 6.576 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.519 -7.565 7.160 1.00 6.26 H new ATOM 0 HD2 PRO A 16 1.815 -8.591 7.273 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.343 -6.993 7.759 1.00 6.51 H new ATOM 219 N PHE A 17 2.403 -8.630 2.452 1.00 4.76 N ATOM 220 CA PHE A 17 1.981 -9.799 1.617 1.00 4.96 C ATOM 221 C PHE A 17 2.844 -9.884 0.347 1.00 4.78 C ATOM 222 O PHE A 17 3.425 -8.907 -0.092 1.00 4.77 O ATOM 223 CB PHE A 17 0.483 -9.689 1.263 1.00 4.69 C ATOM 224 CG PHE A 17 0.224 -8.598 0.244 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.295 -7.249 0.616 1.00 3.74 C ATOM 226 CD2 PHE A 17 -0.111 -8.941 -1.072 1.00 3.29 C ATOM 227 CE1 PHE A 17 0.038 -6.248 -0.329 1.00 3.14 C ATOM 228 CE2 PHE A 17 -0.371 -7.941 -2.013 1.00 2.59 C ATOM 229 CZ PHE A 17 -0.297 -6.594 -1.642 1.00 2.38 C ATOM 0 H PHE A 17 2.955 -7.926 1.961 1.00 4.76 H new ATOM 0 HA PHE A 17 2.128 -10.715 2.189 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.131 -10.643 0.871 1.00 4.69 H new ATOM 0 HB3 PHE A 17 -0.090 -9.485 2.167 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.548 -6.981 1.631 1.00 3.74 H new ATOM 0 HD2 PHE A 17 -0.168 -9.980 -1.360 1.00 3.29 H new ATOM 0 HE1 PHE A 17 0.099 -5.208 -0.044 1.00 3.14 H new ATOM 0 HE2 PHE A 17 -0.629 -8.208 -3.027 1.00 2.59 H new ATOM 0 HZ PHE A 17 -0.499 -5.822 -2.369 1.00 2.38 H new ATOM 239 N HIS A 18 2.941 -11.062 -0.229 1.00 4.92 N ATOM 240 CA HIS A 18 3.773 -11.261 -1.458 1.00 5.06 C ATOM 241 C HIS A 18 3.172 -10.458 -2.644 1.00 4.32 C ATOM 242 O HIS A 18 1.967 -10.361 -2.777 1.00 4.10 O ATOM 243 CB HIS A 18 3.848 -12.766 -1.726 1.00 5.95 C ATOM 244 CG HIS A 18 4.347 -13.015 -3.102 1.00 6.25 C ATOM 245 ND1 HIS A 18 5.686 -13.205 -3.402 1.00 6.36 N ATOM 246 CD2 HIS A 18 3.682 -13.090 -4.272 1.00 6.72 C ATOM 247 CE1 HIS A 18 5.766 -13.383 -4.732 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.569 -13.328 -5.301 1.00 7.07 N ATOM 0 H HIS A 18 2.472 -11.903 0.107 1.00 4.92 H new ATOM 0 HA HIS A 18 4.786 -10.883 -1.324 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.508 -13.240 -1.000 1.00 5.95 H new ATOM 0 HB3 HIS A 18 2.863 -13.215 -1.601 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.462 -13.209 -2.740 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.614 -12.980 -4.387 1.00 6.72 H new ATOM 0 HE1 HIS A 18 6.688 -13.550 -5.269 1.00 6.81 H new ATOM 256 N PRO A 19 4.054 -9.841 -3.423 1.00 4.16 N ATOM 257 CA PRO A 19 3.675 -8.950 -4.554 1.00 3.77 C ATOM 258 C PRO A 19 3.205 -9.662 -5.836 1.00 4.27 C ATOM 259 O PRO A 19 2.288 -9.194 -6.480 1.00 4.32 O ATOM 260 CB PRO A 19 4.963 -8.176 -4.842 1.00 3.96 C ATOM 261 CG PRO A 19 6.124 -9.038 -4.300 1.00 4.62 C ATOM 262 CD PRO A 19 5.518 -9.980 -3.246 1.00 4.65 C ATOM 0 HA PRO A 19 2.814 -8.346 -4.270 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.078 -7.999 -5.911 1.00 3.96 H new ATOM 0 HB3 PRO A 19 4.946 -7.200 -4.357 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.592 -9.606 -5.104 1.00 4.62 H new ATOM 0 HG3 PRO A 19 6.899 -8.411 -3.859 1.00 4.62 H new ATOM 0 HD2 PRO A 19 5.841 -11.009 -3.401 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.825 -9.698 -2.239 1.00 4.65 H new ATOM 270 N LYS A 20 3.840 -10.736 -6.250 1.00 4.91 N ATOM 271 CA LYS A 20 3.418 -11.404 -7.538 1.00 5.52 C ATOM 272 C LYS A 20 1.901 -11.678 -7.559 1.00 5.00 C ATOM 273 O LYS A 20 1.302 -11.718 -8.619 1.00 5.39 O ATOM 274 CB LYS A 20 4.184 -12.703 -7.767 1.00 6.44 C ATOM 275 CG LYS A 20 4.223 -13.029 -9.265 1.00 7.16 C ATOM 276 CD LYS A 20 5.291 -12.176 -9.957 1.00 7.91 C ATOM 277 CE LYS A 20 5.446 -12.631 -11.412 1.00 8.41 C ATOM 278 NZ LYS A 20 6.546 -13.633 -11.510 1.00 8.95 N ATOM 0 H LYS A 20 4.621 -11.177 -5.764 1.00 4.91 H new ATOM 0 HA LYS A 20 3.656 -10.714 -8.347 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.199 -12.610 -7.380 1.00 6.44 H new ATOM 0 HB3 LYS A 20 3.708 -13.517 -7.221 1.00 6.44 H new ATOM 0 HG2 LYS A 20 4.440 -14.087 -9.410 1.00 7.16 H new ATOM 0 HG3 LYS A 20 3.247 -12.839 -9.713 1.00 7.16 H new ATOM 0 HD2 LYS A 20 5.010 -11.124 -9.922 1.00 7.91 H new ATOM 0 HD3 LYS A 20 6.242 -12.269 -9.433 1.00 7.91 H new ATOM 0 HE2 LYS A 20 4.512 -13.066 -11.769 1.00 8.41 H new ATOM 0 HE3 LYS A 20 5.663 -11.774 -12.050 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 6.649 -13.940 -12.498 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 7.436 -13.204 -11.186 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 6.321 -14.455 -10.914 1.00 8.95 H new ATOM 292 N PHE A 21 1.265 -11.832 -6.413 1.00 4.37 N ATOM 293 CA PHE A 21 -0.214 -12.062 -6.400 1.00 4.15 C ATOM 294 C PHE A 21 -0.903 -10.845 -7.025 1.00 3.56 C ATOM 295 O PHE A 21 -1.859 -10.968 -7.766 1.00 3.88 O ATOM 296 CB PHE A 21 -0.723 -12.214 -4.969 1.00 4.02 C ATOM 297 CG PHE A 21 0.045 -13.271 -4.203 1.00 4.64 C ATOM 298 CD1 PHE A 21 0.625 -14.362 -4.867 1.00 5.12 C ATOM 299 CD2 PHE A 21 0.163 -13.158 -2.812 1.00 5.11 C ATOM 300 CE1 PHE A 21 1.323 -15.332 -4.138 1.00 5.85 C ATOM 301 CE2 PHE A 21 0.860 -14.127 -2.086 1.00 5.85 C ATOM 302 CZ PHE A 21 1.440 -15.214 -2.748 1.00 6.13 C ATOM 0 H PHE A 21 1.708 -11.808 -5.495 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.434 -12.972 -6.958 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.640 -11.259 -4.451 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.781 -12.476 -4.986 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.533 -14.454 -5.939 1.00 5.12 H new ATOM 0 HD2 PHE A 21 -0.286 -12.320 -2.299 1.00 5.11 H new ATOM 0 HE1 PHE A 21 1.771 -16.172 -4.648 1.00 5.85 H new ATOM 0 HE2 PHE A 21 0.951 -14.037 -1.014 1.00 5.85 H new ATOM 0 HZ PHE A 21 1.979 -15.963 -2.186 1.00 6.13 H new ATOM 312 N ILE A 22 -0.404 -9.669 -6.719 1.00 2.94 N ATOM 313 CA ILE A 22 -0.985 -8.408 -7.268 1.00 2.62 C ATOM 314 C ILE A 22 -0.951 -8.443 -8.798 1.00 3.41 C ATOM 315 O ILE A 22 0.103 -8.415 -9.406 1.00 4.13 O ATOM 316 CB ILE A 22 -0.154 -7.214 -6.770 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.166 -7.173 -5.238 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.743 -5.911 -7.313 1.00 2.53 C ATOM 319 CD1 ILE A 22 1.119 -6.509 -4.737 1.00 2.47 C ATOM 0 H ILE A 22 0.396 -9.532 -6.101 1.00 2.94 H new ATOM 0 HA ILE A 22 -2.018 -8.309 -6.934 1.00 2.62 H new ATOM 0 HB ILE A 22 0.871 -7.326 -7.122 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -1.036 -6.619 -4.885 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.247 -8.183 -4.837 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.151 -5.068 -6.957 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.728 -5.931 -8.403 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.771 -5.804 -6.966 1.00 2.53 H new ATOM 0 HD11 ILE A 22 1.112 -6.479 -3.647 1.00 2.47 H new ATOM 0 HD12 ILE A 22 1.981 -7.081 -5.079 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.180 -5.493 -5.128 1.00 2.47 H new ATOM 331 N LYS A 23 -2.100 -8.487 -9.419 1.00 3.62 N ATOM 332 CA LYS A 23 -2.155 -8.503 -10.906 1.00 4.61 C ATOM 333 C LYS A 23 -1.933 -7.078 -11.429 1.00 5.00 C ATOM 334 O LYS A 23 -1.421 -6.883 -12.515 1.00 5.88 O ATOM 335 CB LYS A 23 -3.530 -9.006 -11.356 1.00 5.10 C ATOM 336 CG LYS A 23 -3.626 -10.520 -11.139 1.00 5.85 C ATOM 337 CD LYS A 23 -2.801 -11.252 -12.202 1.00 6.35 C ATOM 338 CE LYS A 23 -3.620 -11.390 -13.488 1.00 6.93 C ATOM 339 NZ LYS A 23 -3.043 -12.476 -14.333 1.00 7.72 N ATOM 0 H LYS A 23 -3.008 -8.513 -8.955 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.382 -9.163 -11.300 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -4.315 -8.499 -10.795 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -3.687 -8.770 -12.408 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -3.263 -10.777 -10.144 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -4.667 -10.838 -11.191 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -1.881 -10.704 -12.403 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -2.512 -12.237 -11.836 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -4.659 -11.615 -13.247 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -3.617 -10.448 -14.036 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -3.600 -12.569 -15.206 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -2.058 -12.243 -14.573 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -3.068 -13.374 -13.809 1.00 7.72 H new ATOM 353 N GLU A 24 -2.314 -6.081 -10.655 1.00 4.51 N ATOM 354 CA GLU A 24 -2.128 -4.665 -11.092 1.00 5.13 C ATOM 355 C GLU A 24 -1.761 -3.800 -9.875 1.00 4.55 C ATOM 356 O GLU A 24 -2.591 -3.542 -9.022 1.00 4.65 O ATOM 357 CB GLU A 24 -3.432 -4.143 -11.708 1.00 5.78 C ATOM 358 CG GLU A 24 -3.571 -4.659 -13.143 1.00 6.35 C ATOM 359 CD GLU A 24 -5.025 -4.513 -13.598 1.00 7.36 C ATOM 360 OE1 GLU A 24 -5.359 -3.463 -14.124 1.00 7.92 O ATOM 361 OE2 GLU A 24 -5.782 -5.453 -13.411 1.00 7.77 O ATOM 0 H GLU A 24 -2.746 -6.194 -9.738 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.330 -4.616 -11.832 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.283 -4.469 -11.110 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.437 -3.053 -11.702 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -2.913 -4.099 -13.808 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -3.265 -5.704 -13.197 1.00 6.35 H new HETATM 368 N MLE A 25 -0.527 -3.348 -9.785 1.00 4.25 N HETATM 369 CN MLE A 25 0.150 -2.886 -11.040 1.00 5.13 C HETATM 370 CA MLE A 25 -0.130 -2.497 -8.609 1.00 3.66 C HETATM 371 CB MLE A 25 1.195 -3.003 -8.012 1.00 3.52 C HETATM 372 CG MLE A 25 1.775 -1.940 -7.059 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.254 -2.604 -5.771 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.954 -1.222 -7.730 1.00 3.54 C HETATM 375 C MLE A 25 0.043 -1.043 -9.067 1.00 4.19 C HETATM 376 O MLE A 25 1.051 -0.684 -9.651 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.730 -1.947 -7.974 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.612 -0.736 -8.644 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.358 -0.472 -7.050 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.415 -3.103 -5.285 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.026 -3.337 -6.005 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.663 -1.847 -5.102 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.132 -1.854 -11.247 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.231 -2.949 -10.914 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.156 -3.519 -11.873 1.00 5.13 H new HETATM 0 HG MLE A 25 0.996 -1.214 -6.825 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.030 -3.936 -7.474 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.906 -3.217 -8.810 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.909 -2.556 -7.849 1.00 3.66 H new ATOM 390 N ARG A 26 -0.921 -0.202 -8.817 1.00 4.14 N ATOM 391 CA ARG A 26 -0.775 1.212 -9.251 1.00 4.79 C ATOM 392 C ARG A 26 -0.787 2.140 -8.029 1.00 4.70 C ATOM 393 O ARG A 26 -1.639 2.036 -7.169 1.00 4.97 O ATOM 394 CB ARG A 26 -1.909 1.595 -10.214 1.00 5.59 C ATOM 395 CG ARG A 26 -3.273 1.451 -9.522 1.00 5.99 C ATOM 396 CD ARG A 26 -4.325 1.027 -10.549 1.00 6.35 C ATOM 397 NE ARG A 26 -4.973 2.238 -11.133 1.00 7.16 N ATOM 398 CZ ARG A 26 -4.413 2.865 -12.135 1.00 7.92 C ATOM 399 NH1 ARG A 26 -4.567 2.417 -13.355 1.00 8.32 N ATOM 400 NH2 ARG A 26 -3.698 3.939 -11.914 1.00 8.52 N ATOM 0 H ARG A 26 -1.792 -0.429 -8.337 1.00 4.14 H new ATOM 0 HA ARG A 26 0.177 1.322 -9.771 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -1.774 2.622 -10.555 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -1.874 0.959 -11.098 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.211 0.712 -8.723 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.560 2.396 -9.061 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -3.860 0.435 -11.338 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -5.075 0.394 -10.076 1.00 6.35 H new ATOM 0 HE ARG A 26 -5.855 2.578 -10.750 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -5.124 1.579 -13.524 1.00 8.32 H new ATOM 0 HH12 ARG A 26 -4.130 2.906 -14.137 1.00 8.32 H new ATOM 0 HH21 ARG A 26 -3.579 4.285 -10.962 1.00 8.52 H new ATOM 0 HH22 ARG A 26 -3.260 4.430 -12.694 1.00 8.52 H new ATOM 414 N VAL A 27 0.156 3.046 -7.952 1.00 4.69 N ATOM 415 CA VAL A 27 0.213 3.987 -6.791 1.00 4.83 C ATOM 416 C VAL A 27 -0.449 5.320 -7.165 1.00 4.79 C ATOM 417 O VAL A 27 -0.474 5.708 -8.319 1.00 5.45 O ATOM 418 CB VAL A 27 1.675 4.234 -6.384 1.00 5.66 C ATOM 419 CG1 VAL A 27 2.159 3.078 -5.509 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.573 4.338 -7.625 1.00 6.04 C ATOM 0 H VAL A 27 0.892 3.175 -8.646 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.322 3.542 -5.952 1.00 4.83 H new ATOM 0 HB VAL A 27 1.729 5.172 -5.831 1.00 5.66 H new ATOM 0 HG11 VAL A 27 3.195 3.250 -5.219 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.538 3.013 -4.616 1.00 6.10 H new ATOM 0 HG13 VAL A 27 2.089 2.145 -6.068 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.603 4.513 -7.315 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.518 3.409 -8.193 1.00 6.04 H new ATOM 0 HG23 VAL A 27 2.237 5.166 -8.249 1.00 6.04 H new ATOM 430 N ILE A 28 -0.984 6.023 -6.192 1.00 4.28 N ATOM 431 CA ILE A 28 -1.647 7.333 -6.481 1.00 4.40 C ATOM 432 C ILE A 28 -0.709 8.476 -6.079 1.00 4.70 C ATOM 433 O ILE A 28 0.211 8.291 -5.304 1.00 5.01 O ATOM 434 CB ILE A 28 -2.954 7.437 -5.676 1.00 4.45 C ATOM 435 CG1 ILE A 28 -3.808 6.182 -5.901 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.745 8.672 -6.119 1.00 4.49 C ATOM 437 CD1 ILE A 28 -4.054 5.969 -7.400 1.00 5.05 C ATOM 0 H ILE A 28 -0.989 5.744 -5.211 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.871 7.400 -7.546 1.00 4.40 H new ATOM 0 HB ILE A 28 -2.708 7.524 -4.618 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -3.305 5.311 -5.480 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -4.760 6.283 -5.380 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.669 8.738 -5.544 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.147 9.567 -5.949 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.983 8.591 -7.180 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -4.661 5.075 -7.546 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -4.577 6.833 -7.809 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -3.099 5.846 -7.912 1.00 5.05 H new ATOM 449 N GLU A 29 -0.938 9.658 -6.597 1.00 5.08 N ATOM 450 CA GLU A 29 -0.073 10.820 -6.246 1.00 5.75 C ATOM 451 C GLU A 29 -0.692 11.577 -5.063 1.00 5.30 C ATOM 452 O GLU A 29 -1.730 11.202 -4.548 1.00 4.95 O ATOM 453 CB GLU A 29 0.033 11.753 -7.455 1.00 6.63 C ATOM 454 CG GLU A 29 1.107 11.231 -8.414 1.00 7.40 C ATOM 455 CD GLU A 29 2.496 11.559 -7.859 1.00 8.35 C ATOM 456 OE1 GLU A 29 2.935 12.685 -8.036 1.00 9.09 O ATOM 457 OE2 GLU A 29 3.098 10.679 -7.267 1.00 8.53 O ATOM 0 H GLU A 29 -1.692 9.866 -7.251 1.00 5.08 H new ATOM 0 HA GLU A 29 0.921 10.469 -5.969 1.00 5.75 H new ATOM 0 HB2 GLU A 29 -0.928 11.813 -7.966 1.00 6.63 H new ATOM 0 HB3 GLU A 29 0.283 12.762 -7.128 1.00 6.63 H new ATOM 0 HG2 GLU A 29 1.001 10.154 -8.543 1.00 7.40 H new ATOM 0 HG3 GLU A 29 0.981 11.684 -9.398 1.00 7.40 H new ATOM 464 N SER A 30 -0.058 12.638 -4.632 1.00 5.67 N ATOM 465 CA SER A 30 -0.596 13.428 -3.483 1.00 5.68 C ATOM 466 C SER A 30 -1.109 14.788 -3.980 1.00 6.20 C ATOM 467 O SER A 30 -0.776 15.232 -5.063 1.00 6.77 O ATOM 468 CB SER A 30 0.511 13.645 -2.446 1.00 6.35 C ATOM 469 OG SER A 30 1.778 13.689 -3.093 1.00 7.18 O ATOM 0 H SER A 30 0.813 12.992 -5.028 1.00 5.67 H new ATOM 0 HA SER A 30 -1.420 12.880 -3.026 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.337 14.575 -1.904 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.496 12.840 -1.711 1.00 6.35 H new ATOM 0 HG SER A 30 2.482 13.829 -2.425 1.00 7.18 H new ATOM 475 N GLY A 31 -1.919 15.445 -3.188 1.00 6.36 N ATOM 476 CA GLY A 31 -2.470 16.779 -3.591 1.00 7.19 C ATOM 477 C GLY A 31 -3.445 17.272 -2.511 1.00 7.66 C ATOM 478 O GLY A 31 -3.392 16.816 -1.384 1.00 7.75 O ATOM 0 H GLY A 31 -2.225 15.114 -2.273 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -1.659 17.496 -3.720 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.981 16.699 -4.550 1.00 7.19 H new ATOM 482 N PRO A 32 -4.331 18.170 -2.889 1.00 8.17 N ATOM 483 CA PRO A 32 -5.353 18.709 -1.966 1.00 8.85 C ATOM 484 C PRO A 32 -6.426 17.637 -1.733 1.00 8.11 C ATOM 485 O PRO A 32 -6.940 17.477 -0.642 1.00 8.52 O ATOM 486 CB PRO A 32 -5.911 19.926 -2.710 1.00 9.69 C ATOM 487 CG PRO A 32 -5.596 19.701 -4.208 1.00 9.20 C ATOM 488 CD PRO A 32 -4.405 18.723 -4.261 1.00 8.39 C ATOM 0 HA PRO A 32 -4.971 18.984 -0.983 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.985 20.022 -2.549 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -5.451 20.846 -2.350 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -6.460 19.289 -4.729 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -5.348 20.642 -4.698 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -4.567 17.938 -4.999 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -3.482 19.233 -4.536 1.00 8.39 H new ATOM 496 N HIS A 33 -6.730 16.882 -2.763 1.00 7.21 N ATOM 497 CA HIS A 33 -7.729 15.774 -2.662 1.00 6.64 C ATOM 498 C HIS A 33 -7.282 14.778 -1.577 1.00 5.94 C ATOM 499 O HIS A 33 -8.092 14.206 -0.871 1.00 6.05 O ATOM 500 CB HIS A 33 -7.813 15.048 -4.017 1.00 6.27 C ATOM 501 CG HIS A 33 -6.435 14.585 -4.443 1.00 5.79 C ATOM 502 ND1 HIS A 33 -5.543 15.418 -5.105 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.768 13.396 -4.264 1.00 4.91 C ATOM 504 CE1 HIS A 33 -4.401 14.731 -5.288 1.00 6.20 C ATOM 505 NE2 HIS A 33 -4.486 13.492 -4.797 1.00 5.23 N ATOM 0 H HIS A 33 -6.317 16.992 -3.689 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.705 16.182 -2.400 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -8.485 14.193 -3.940 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -8.231 15.715 -4.771 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -6.177 12.520 -3.783 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -3.523 15.132 -5.773 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.765 12.770 -4.810 1.00 5.23 H new ATOM 513 N CYS A 34 -5.989 14.579 -1.445 1.00 5.51 N ATOM 514 CA CYS A 34 -5.448 13.644 -0.427 1.00 5.12 C ATOM 515 C CYS A 34 -4.010 14.062 -0.099 1.00 5.54 C ATOM 516 O CYS A 34 -3.090 13.800 -0.854 1.00 5.84 O ATOM 517 CB CYS A 34 -5.466 12.211 -0.973 1.00 4.12 C ATOM 518 SG CYS A 34 -5.885 11.054 0.357 1.00 4.37 S ATOM 0 H CYS A 34 -5.280 15.039 -2.016 1.00 5.51 H new ATOM 0 HA CYS A 34 -6.060 13.679 0.474 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.193 12.129 -1.781 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.492 11.960 -1.393 1.00 4.12 H new ATOM 523 N ALA A 35 -3.816 14.728 1.015 1.00 5.90 N ATOM 524 CA ALA A 35 -2.444 15.189 1.403 1.00 6.66 C ATOM 525 C ALA A 35 -1.485 13.996 1.512 1.00 6.33 C ATOM 526 O ALA A 35 -0.344 14.074 1.097 1.00 6.77 O ATOM 527 CB ALA A 35 -2.517 15.907 2.753 1.00 7.59 C ATOM 0 H ALA A 35 -4.553 14.973 1.676 1.00 5.90 H new ATOM 0 HA ALA A 35 -2.071 15.869 0.637 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -1.521 16.244 3.040 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -3.182 16.767 2.672 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -2.900 15.222 3.509 1.00 7.59 H new ATOM 533 N ASN A 36 -1.938 12.900 2.068 1.00 5.85 N ATOM 534 CA ASN A 36 -1.054 11.704 2.210 1.00 5.88 C ATOM 535 C ASN A 36 -1.139 10.836 0.949 1.00 5.34 C ATOM 536 O ASN A 36 -2.214 10.497 0.489 1.00 5.26 O ATOM 537 CB ASN A 36 -1.498 10.880 3.425 1.00 6.50 C ATOM 538 CG ASN A 36 -0.756 11.356 4.678 1.00 7.27 C ATOM 539 OD1 ASN A 36 0.446 11.533 4.659 1.00 7.78 O ATOM 540 ND2 ASN A 36 -1.427 11.569 5.777 1.00 7.61 N ATOM 0 H ASN A 36 -2.884 12.783 2.430 1.00 5.85 H new ATOM 0 HA ASN A 36 -0.025 12.037 2.348 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.574 10.980 3.569 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.296 9.823 3.252 1.00 6.50 H new ATOM 0 HD21 ASN A 36 -0.942 11.883 6.618 1.00 7.61 H new ATOM 0 HD22 ASN A 36 -2.436 11.421 5.795 1.00 7.61 H new ATOM 547 N THR A 37 -0.006 10.465 0.398 1.00 5.30 N ATOM 548 CA THR A 37 0.001 9.603 -0.827 1.00 5.18 C ATOM 549 C THR A 37 -0.459 8.190 -0.442 1.00 4.58 C ATOM 550 O THR A 37 -0.404 7.812 0.715 1.00 4.95 O ATOM 551 CB THR A 37 1.425 9.548 -1.404 1.00 5.98 C ATOM 552 OG1 THR A 37 2.021 10.836 -1.326 1.00 6.76 O ATOM 553 CG2 THR A 37 1.374 9.105 -2.866 1.00 6.31 C ATOM 0 H THR A 37 0.917 10.724 0.746 1.00 5.30 H new ATOM 0 HA THR A 37 -0.673 10.016 -1.578 1.00 5.18 H new ATOM 0 HB THR A 37 2.016 8.835 -0.829 1.00 5.98 H new ATOM 0 HG1 THR A 37 2.929 10.799 -1.693 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.386 9.068 -3.270 1.00 6.31 H new ATOM 0 HG22 THR A 37 0.920 8.116 -2.931 1.00 6.31 H new ATOM 0 HG23 THR A 37 0.780 9.815 -3.441 1.00 6.31 H new ATOM 561 N GLU A 38 -0.924 7.406 -1.389 1.00 3.94 N ATOM 562 CA GLU A 38 -1.394 6.032 -1.043 1.00 3.67 C ATOM 563 C GLU A 38 -1.115 5.063 -2.194 1.00 2.99 C ATOM 564 O GLU A 38 -1.161 5.430 -3.353 1.00 3.33 O ATOM 565 CB GLU A 38 -2.899 6.070 -0.771 1.00 4.35 C ATOM 566 CG GLU A 38 -3.228 5.165 0.418 1.00 4.96 C ATOM 567 CD GLU A 38 -4.347 5.797 1.249 1.00 5.76 C ATOM 568 OE1 GLU A 38 -5.480 5.758 0.802 1.00 6.28 O ATOM 569 OE2 GLU A 38 -4.051 6.310 2.316 1.00 6.10 O ATOM 0 H GLU A 38 -0.996 7.658 -2.375 1.00 3.94 H new ATOM 0 HA GLU A 38 -0.859 5.689 -0.157 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.215 7.092 -0.562 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.447 5.741 -1.654 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -3.535 4.181 0.065 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -2.341 5.020 1.034 1.00 4.96 H new ATOM 576 N ILE A 39 -0.842 3.822 -1.874 1.00 2.48 N ATOM 577 CA ILE A 39 -0.573 2.807 -2.935 1.00 2.38 C ATOM 578 C ILE A 39 -1.866 2.020 -3.199 1.00 2.16 C ATOM 579 O ILE A 39 -2.783 2.038 -2.399 1.00 2.22 O ATOM 580 CB ILE A 39 0.540 1.860 -2.450 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.840 2.658 -2.265 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.778 0.745 -3.476 1.00 3.44 C ATOM 583 CD1 ILE A 39 2.468 2.318 -0.913 1.00 2.94 C ATOM 0 H ILE A 39 -0.794 3.468 -0.918 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.250 3.290 -3.857 1.00 2.38 H new ATOM 0 HB ILE A 39 0.235 1.413 -1.504 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.538 2.425 -3.069 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.633 3.727 -2.322 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.568 0.084 -3.118 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.140 0.173 -3.612 1.00 3.44 H new ATOM 0 HG23 ILE A 39 1.076 1.184 -4.428 1.00 3.44 H new ATOM 0 HD11 ILE A 39 3.389 2.886 -0.787 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.772 2.573 -0.114 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.691 1.252 -0.873 1.00 2.94 H new ATOM 595 N ILE A 40 -1.948 1.333 -4.312 1.00 2.34 N ATOM 596 CA ILE A 40 -3.175 0.537 -4.624 1.00 2.36 C ATOM 597 C ILE A 40 -2.773 -0.708 -5.413 1.00 2.37 C ATOM 598 O ILE A 40 -1.989 -0.642 -6.340 1.00 3.02 O ATOM 599 CB ILE A 40 -4.168 1.361 -5.456 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.499 2.666 -4.725 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.454 0.551 -5.656 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.439 3.519 -5.583 1.00 4.01 C ATOM 0 H ILE A 40 -1.215 1.289 -5.020 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.657 0.257 -3.687 1.00 2.36 H new ATOM 0 HB ILE A 40 -3.723 1.593 -6.424 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -4.967 2.447 -3.765 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.583 3.218 -4.515 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.162 1.132 -6.246 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.222 -0.377 -6.178 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -5.894 0.321 -4.686 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.671 4.446 -5.058 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -4.955 3.751 -6.532 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.361 2.968 -5.771 1.00 4.01 H new ATOM 614 N VAL A 41 -3.302 -1.840 -5.044 1.00 2.04 N ATOM 615 CA VAL A 41 -2.968 -3.099 -5.748 1.00 2.10 C ATOM 616 C VAL A 41 -4.252 -3.897 -6.006 1.00 2.33 C ATOM 617 O VAL A 41 -5.288 -3.630 -5.424 1.00 2.79 O ATOM 618 CB VAL A 41 -2.014 -3.922 -4.880 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.679 -3.189 -4.740 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.619 -4.150 -3.488 1.00 3.20 C ATOM 0 H VAL A 41 -3.961 -1.943 -4.272 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.489 -2.872 -6.701 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.853 -4.888 -5.359 1.00 2.21 H new ATOM 0 HG11 VAL A 41 -0.003 -3.779 -4.121 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.237 -3.047 -5.726 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.844 -2.218 -4.273 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.928 -4.737 -2.883 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.796 -3.188 -3.006 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.563 -4.687 -3.585 1.00 3.20 H new ATOM 630 N LYS A 42 -4.189 -4.873 -6.872 1.00 2.44 N ATOM 631 CA LYS A 42 -5.395 -5.700 -7.171 1.00 2.97 C ATOM 632 C LYS A 42 -5.018 -7.184 -7.110 1.00 2.77 C ATOM 633 O LYS A 42 -4.506 -7.742 -8.063 1.00 2.98 O ATOM 634 CB LYS A 42 -5.922 -5.353 -8.569 1.00 3.77 C ATOM 635 CG LYS A 42 -7.263 -4.624 -8.447 1.00 4.68 C ATOM 636 CD LYS A 42 -8.075 -4.822 -9.730 1.00 5.42 C ATOM 637 CE LYS A 42 -9.531 -4.412 -9.490 1.00 5.72 C ATOM 638 NZ LYS A 42 -10.374 -5.630 -9.310 1.00 6.76 N ATOM 0 H LYS A 42 -3.349 -5.135 -7.388 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.173 -5.494 -6.436 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.202 -4.725 -9.094 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -6.043 -6.262 -9.159 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.819 -5.005 -7.591 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.096 -3.561 -8.271 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -7.648 -4.227 -10.537 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -8.028 -5.865 -10.044 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -9.599 -3.777 -8.607 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -9.897 -3.826 -10.333 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -11.362 -5.348 -9.147 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -10.319 -6.220 -10.165 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -10.030 -6.173 -8.492 1.00 6.76 H new ATOM 652 N LEU A 43 -5.262 -7.823 -5.985 1.00 3.01 N ATOM 653 CA LEU A 43 -4.924 -9.270 -5.834 1.00 3.31 C ATOM 654 C LEU A 43 -5.552 -10.087 -6.962 1.00 3.92 C ATOM 655 O LEU A 43 -6.675 -9.839 -7.374 1.00 4.54 O ATOM 656 CB LEU A 43 -5.469 -9.786 -4.507 1.00 4.01 C ATOM 657 CG LEU A 43 -4.611 -9.263 -3.349 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.278 -9.609 -2.016 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.223 -9.911 -3.405 1.00 3.91 C ATOM 0 H LEU A 43 -5.685 -7.395 -5.161 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.840 -9.374 -5.868 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.502 -9.464 -4.379 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.472 -10.876 -4.505 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.513 -8.181 -3.436 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.666 -9.236 -1.195 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.264 -9.147 -1.972 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.380 -10.691 -1.930 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.614 -9.538 -2.581 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.323 -10.993 -3.322 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.744 -9.663 -4.352 1.00 3.91 H new ATOM 671 N SER A 44 -4.823 -11.064 -7.447 1.00 3.99 N ATOM 672 CA SER A 44 -5.322 -11.940 -8.552 1.00 4.72 C ATOM 673 C SER A 44 -6.641 -12.620 -8.160 1.00 5.55 C ATOM 674 O SER A 44 -7.439 -12.962 -9.013 1.00 6.08 O ATOM 675 CB SER A 44 -4.275 -13.012 -8.861 1.00 4.98 C ATOM 676 OG SER A 44 -4.505 -13.534 -10.163 1.00 5.08 O ATOM 0 H SER A 44 -3.886 -11.294 -7.116 1.00 3.99 H new ATOM 0 HA SER A 44 -5.498 -11.321 -9.431 1.00 4.72 H new ATOM 0 HB2 SER A 44 -3.273 -12.586 -8.799 1.00 4.98 H new ATOM 0 HB3 SER A 44 -4.328 -13.811 -8.122 1.00 4.98 H new ATOM 0 HG SER A 44 -3.834 -14.220 -10.364 1.00 5.08 H new ATOM 682 N ASP A 45 -6.883 -12.812 -6.882 1.00 5.91 N ATOM 683 CA ASP A 45 -8.154 -13.460 -6.447 1.00 7.02 C ATOM 684 C ASP A 45 -9.351 -12.532 -6.741 1.00 7.25 C ATOM 685 O ASP A 45 -10.492 -12.945 -6.655 1.00 8.19 O ATOM 686 CB ASP A 45 -8.105 -13.780 -4.942 1.00 7.64 C ATOM 687 CG ASP A 45 -7.518 -12.600 -4.155 1.00 8.01 C ATOM 688 OD1 ASP A 45 -8.160 -11.565 -4.104 1.00 8.63 O ATOM 689 OD2 ASP A 45 -6.434 -12.757 -3.617 1.00 7.89 O ATOM 0 H ASP A 45 -6.252 -12.546 -6.126 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.275 -14.390 -7.003 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -9.109 -14.002 -4.580 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -7.501 -14.672 -4.774 1.00 7.64 H new ATOM 694 N GLY A 46 -9.098 -11.287 -7.089 1.00 6.57 N ATOM 695 CA GLY A 46 -10.211 -10.339 -7.388 1.00 7.07 C ATOM 696 C GLY A 46 -10.430 -9.404 -6.196 1.00 6.74 C ATOM 697 O GLY A 46 -11.548 -9.015 -5.911 1.00 7.17 O ATOM 0 H GLY A 46 -8.162 -10.891 -7.177 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.976 -9.758 -8.280 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.125 -10.893 -7.600 1.00 7.07 H new ATOM 701 N ARG A 47 -9.380 -9.043 -5.497 1.00 6.21 N ATOM 702 CA ARG A 47 -9.543 -8.135 -4.321 1.00 6.07 C ATOM 703 C ARG A 47 -8.817 -6.807 -4.577 1.00 5.32 C ATOM 704 O ARG A 47 -7.928 -6.726 -5.403 1.00 5.06 O ATOM 705 CB ARG A 47 -8.955 -8.819 -3.079 1.00 6.43 C ATOM 706 CG ARG A 47 -9.428 -8.110 -1.802 1.00 7.27 C ATOM 707 CD ARG A 47 -10.933 -8.327 -1.618 1.00 7.96 C ATOM 708 NE ARG A 47 -11.312 -8.047 -0.201 1.00 8.82 N ATOM 709 CZ ARG A 47 -11.232 -8.994 0.699 1.00 9.62 C ATOM 710 NH1 ARG A 47 -12.012 -10.042 0.622 1.00 10.10 N ATOM 711 NH2 ARG A 47 -10.373 -8.888 1.681 1.00 10.15 N ATOM 0 H ARG A 47 -8.423 -9.337 -5.690 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.602 -7.929 -4.163 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -9.258 -9.866 -3.055 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.866 -8.804 -3.129 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.887 -8.496 -0.938 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.209 -7.044 -1.864 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.489 -7.673 -2.289 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -11.197 -9.352 -1.880 1.00 7.96 H new ATOM 0 HE ARG A 47 -11.634 -7.117 0.066 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -12.684 -10.122 -0.141 1.00 10.10 H new ATOM 0 HH12 ARG A 47 -11.947 -10.778 1.325 1.00 10.10 H new ATOM 0 HH21 ARG A 47 -9.768 -8.069 1.743 1.00 10.15 H new ATOM 0 HH22 ARG A 47 -10.308 -9.624 2.384 1.00 10.15 H new ATOM 725 N GLU A 48 -9.187 -5.772 -3.863 1.00 5.24 N ATOM 726 CA GLU A 48 -8.516 -4.449 -4.035 1.00 4.73 C ATOM 727 C GLU A 48 -8.027 -3.977 -2.663 1.00 4.69 C ATOM 728 O GLU A 48 -8.813 -3.764 -1.758 1.00 5.44 O ATOM 729 CB GLU A 48 -9.508 -3.433 -4.611 1.00 5.60 C ATOM 730 CG GLU A 48 -8.738 -2.324 -5.337 1.00 5.76 C ATOM 731 CD GLU A 48 -9.709 -1.470 -6.156 1.00 6.79 C ATOM 732 OE1 GLU A 48 -10.341 -0.602 -5.575 1.00 7.44 O ATOM 733 OE2 GLU A 48 -9.802 -1.696 -7.351 1.00 7.12 O ATOM 0 H GLU A 48 -9.930 -5.789 -3.164 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.675 -4.541 -4.722 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -10.192 -3.927 -5.301 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.114 -3.007 -3.812 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -8.212 -1.701 -4.614 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -7.983 -2.761 -5.991 1.00 5.76 H new ATOM 740 N LEU A 49 -6.735 -3.834 -2.495 1.00 4.08 N ATOM 741 CA LEU A 49 -6.196 -3.398 -1.170 1.00 4.35 C ATOM 742 C LEU A 49 -5.209 -2.246 -1.351 1.00 3.99 C ATOM 743 O LEU A 49 -4.206 -2.383 -2.017 1.00 3.87 O ATOM 744 CB LEU A 49 -5.449 -4.560 -0.513 1.00 4.67 C ATOM 745 CG LEU A 49 -6.214 -5.066 0.712 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.303 -6.044 0.274 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.240 -5.784 1.650 1.00 4.69 C ATOM 0 H LEU A 49 -6.033 -4.000 -3.216 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.032 -3.077 -0.549 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.323 -5.371 -1.231 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.451 -4.237 -0.218 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.673 -4.222 1.227 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.845 -6.401 1.150 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.995 -5.540 -0.400 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.847 -6.890 -0.241 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.779 -6.147 2.525 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.786 -6.626 1.128 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.461 -5.090 1.966 1.00 4.69 H new ATOM 759 N CYS A 50 -5.455 -1.131 -0.719 1.00 3.99 N ATOM 760 CA CYS A 50 -4.497 0.000 -0.819 1.00 3.63 C ATOM 761 C CYS A 50 -3.426 -0.218 0.241 1.00 3.49 C ATOM 762 O CYS A 50 -3.712 -0.651 1.340 1.00 4.14 O ATOM 763 CB CYS A 50 -5.199 1.319 -0.578 1.00 3.72 C ATOM 764 SG CYS A 50 -6.806 1.331 -1.421 1.00 4.64 S ATOM 0 H CYS A 50 -6.276 -0.957 -0.140 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.059 0.036 -1.816 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.339 1.476 0.492 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.582 2.140 -0.942 1.00 3.72 H new ATOM 769 N LEU A 51 -2.196 0.033 -0.091 1.00 2.91 N ATOM 770 CA LEU A 51 -1.096 -0.210 0.873 1.00 2.96 C ATOM 771 C LEU A 51 -0.643 1.076 1.554 1.00 3.35 C ATOM 772 O LEU A 51 -0.858 2.176 1.073 1.00 3.56 O ATOM 773 CB LEU A 51 0.087 -0.834 0.142 1.00 2.71 C ATOM 774 CG LEU A 51 -0.335 -2.140 -0.556 1.00 2.56 C ATOM 775 CD1 LEU A 51 0.895 -3.013 -0.762 1.00 2.98 C ATOM 776 CD2 LEU A 51 -1.341 -2.914 0.304 1.00 2.61 C ATOM 0 H LEU A 51 -1.903 0.399 -0.997 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.470 -0.885 1.643 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.478 -0.132 -0.594 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.892 -1.037 0.848 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.798 -1.890 -1.511 1.00 2.56 H new ATOM 0 HD11 LEU A 51 0.604 -3.940 -1.256 1.00 2.98 H new ATOM 0 HD12 LEU A 51 1.618 -2.483 -1.382 1.00 2.98 H new ATOM 0 HD13 LEU A 51 1.345 -3.242 0.204 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -1.626 -3.833 -0.208 1.00 2.61 H new ATOM 0 HD22 LEU A 51 -0.886 -3.159 1.264 1.00 2.61 H new ATOM 0 HD23 LEU A 51 -2.227 -2.301 0.468 1.00 2.61 H new ATOM 788 N ASP A 52 -0.003 0.912 2.682 1.00 3.84 N ATOM 789 CA ASP A 52 0.504 2.067 3.468 1.00 4.35 C ATOM 790 C ASP A 52 2.038 2.111 3.349 1.00 4.47 C ATOM 791 O ASP A 52 2.721 1.213 3.813 1.00 4.73 O ATOM 792 CB ASP A 52 0.089 1.869 4.933 1.00 4.93 C ATOM 793 CG ASP A 52 0.455 3.098 5.777 1.00 5.39 C ATOM 794 OD1 ASP A 52 0.432 4.200 5.249 1.00 5.40 O ATOM 795 OD2 ASP A 52 0.739 2.914 6.947 1.00 5.96 O ATOM 0 H ASP A 52 0.192 0.001 3.098 1.00 3.84 H new ATOM 0 HA ASP A 52 0.092 3.005 3.096 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -0.985 1.690 4.990 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.581 0.985 5.338 1.00 4.93 H new ATOM 800 N PRO A 53 2.540 3.156 2.724 1.00 4.54 N ATOM 801 CA PRO A 53 3.993 3.330 2.512 1.00 4.96 C ATOM 802 C PRO A 53 4.732 3.632 3.826 1.00 5.21 C ATOM 803 O PRO A 53 5.948 3.687 3.851 1.00 5.67 O ATOM 804 CB PRO A 53 4.079 4.498 1.524 1.00 5.26 C ATOM 805 CG PRO A 53 2.746 5.270 1.644 1.00 5.04 C ATOM 806 CD PRO A 53 1.716 4.267 2.198 1.00 4.55 C ATOM 0 HA PRO A 53 4.472 2.427 2.133 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.925 5.144 1.759 1.00 5.26 H new ATOM 0 HB3 PRO A 53 4.228 4.136 0.507 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.851 6.127 2.309 1.00 5.04 H new ATOM 0 HG3 PRO A 53 2.431 5.656 0.674 1.00 5.04 H new ATOM 0 HD2 PRO A 53 1.105 4.715 2.981 1.00 4.55 H new ATOM 0 HD3 PRO A 53 1.035 3.924 1.419 1.00 4.55 H new ATOM 814 N LYS A 54 4.019 3.808 4.917 1.00 5.18 N ATOM 815 CA LYS A 54 4.688 4.082 6.216 1.00 5.61 C ATOM 816 C LYS A 54 5.527 2.865 6.633 1.00 5.02 C ATOM 817 O LYS A 54 6.496 3.000 7.358 1.00 5.42 O ATOM 818 CB LYS A 54 3.636 4.377 7.290 1.00 6.23 C ATOM 819 CG LYS A 54 3.560 5.886 7.539 1.00 7.12 C ATOM 820 CD LYS A 54 2.939 6.580 6.321 1.00 7.85 C ATOM 821 CE LYS A 54 2.262 7.884 6.757 1.00 8.63 C ATOM 822 NZ LYS A 54 0.790 7.669 6.880 1.00 9.56 N ATOM 0 H LYS A 54 3.000 3.772 4.955 1.00 5.18 H new ATOM 0 HA LYS A 54 5.340 4.948 6.107 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.663 4.002 6.972 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.891 3.859 8.214 1.00 6.23 H new ATOM 0 HG2 LYS A 54 2.963 6.088 8.428 1.00 7.12 H new ATOM 0 HG3 LYS A 54 4.557 6.284 7.727 1.00 7.12 H new ATOM 0 HD2 LYS A 54 3.709 6.790 5.578 1.00 7.85 H new ATOM 0 HD3 LYS A 54 2.211 5.922 5.848 1.00 7.85 H new ATOM 0 HE2 LYS A 54 2.672 8.217 7.711 1.00 8.63 H new ATOM 0 HE3 LYS A 54 2.465 8.671 6.031 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 0.333 8.555 7.176 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 0.405 7.371 5.961 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 0.605 6.931 7.589 1.00 9.56 H new ATOM 836 N GLU A 55 5.177 1.676 6.174 1.00 4.37 N ATOM 837 CA GLU A 55 5.968 0.475 6.541 1.00 4.14 C ATOM 838 C GLU A 55 7.163 0.356 5.600 1.00 3.84 C ATOM 839 O GLU A 55 7.254 1.042 4.598 1.00 3.83 O ATOM 840 CB GLU A 55 5.106 -0.780 6.393 1.00 4.19 C ATOM 841 CG GLU A 55 4.087 -0.856 7.530 1.00 4.76 C ATOM 842 CD GLU A 55 2.913 0.085 7.248 1.00 5.39 C ATOM 843 OE1 GLU A 55 2.075 -0.275 6.438 1.00 6.13 O ATOM 844 OE2 GLU A 55 2.872 1.146 7.848 1.00 5.43 O ATOM 0 H GLU A 55 4.379 1.500 5.564 1.00 4.37 H new ATOM 0 HA GLU A 55 6.305 0.571 7.573 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.590 -0.765 5.433 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.738 -1.668 6.401 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.726 -1.879 7.637 1.00 4.76 H new ATOM 0 HG3 GLU A 55 4.562 -0.585 8.473 1.00 4.76 H new ATOM 851 N ASN A 56 8.064 -0.530 5.909 1.00 3.90 N ATOM 852 CA ASN A 56 9.253 -0.730 5.037 1.00 3.93 C ATOM 853 C ASN A 56 8.976 -1.857 4.038 1.00 3.74 C ATOM 854 O ASN A 56 9.660 -1.983 3.041 1.00 3.89 O ATOM 855 CB ASN A 56 10.457 -1.094 5.897 1.00 4.29 C ATOM 856 CG ASN A 56 11.508 0.021 5.834 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.179 1.190 5.888 1.00 4.90 O ATOM 858 ND2 ASN A 56 12.771 -0.296 5.730 1.00 5.15 N ATOM 0 H ASN A 56 8.028 -1.129 6.734 1.00 3.90 H new ATOM 0 HA ASN A 56 9.461 0.191 4.492 1.00 3.93 H new ATOM 0 HB2 ASN A 56 10.142 -1.250 6.929 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.890 -2.032 5.551 1.00 4.29 H new ATOM 0 HD21 ASN A 56 13.479 0.437 5.694 1.00 5.15 H new ATOM 0 HD22 ASN A 56 13.049 -1.276 5.685 1.00 5.15 H new ATOM 865 N TRP A 57 7.979 -2.676 4.291 1.00 3.55 N ATOM 866 CA TRP A 57 7.665 -3.781 3.358 1.00 3.47 C ATOM 867 C TRP A 57 6.822 -3.253 2.201 1.00 3.28 C ATOM 868 O TRP A 57 6.986 -3.666 1.077 1.00 3.48 O ATOM 869 CB TRP A 57 6.929 -4.901 4.105 1.00 3.64 C ATOM 870 CG TRP A 57 5.513 -4.537 4.416 1.00 3.70 C ATOM 871 CD1 TRP A 57 5.088 -4.102 5.608 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.337 -4.591 3.557 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.724 -3.909 5.554 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.216 -4.181 4.308 1.00 3.80 C ATOM 875 CE3 TRP A 57 4.137 -4.952 2.216 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.937 -4.129 3.753 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.855 -4.898 1.651 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.756 -4.486 2.417 1.00 3.38 C ATOM 0 H TRP A 57 7.374 -2.617 5.110 1.00 3.55 H new ATOM 0 HA TRP A 57 8.590 -4.190 2.953 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.945 -5.809 3.502 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.457 -5.125 5.032 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.712 -3.930 6.472 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.159 -3.601 6.346 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.975 -5.273 1.616 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 1.095 -3.815 4.352 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.713 -5.176 0.617 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.772 -4.445 1.974 1.00 3.38 H new ATOM 889 N VAL A 58 5.928 -2.337 2.469 1.00 3.02 N ATOM 890 CA VAL A 58 5.083 -1.770 1.377 1.00 2.84 C ATOM 891 C VAL A 58 5.984 -1.037 0.375 1.00 2.99 C ATOM 892 O VAL A 58 5.803 -1.147 -0.824 1.00 3.21 O ATOM 893 CB VAL A 58 4.065 -0.794 1.983 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.584 0.207 0.931 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.864 -1.561 2.522 1.00 2.85 C ATOM 0 H VAL A 58 5.747 -1.957 3.398 1.00 3.02 H new ATOM 0 HA VAL A 58 4.549 -2.569 0.862 1.00 2.84 H new ATOM 0 HB VAL A 58 4.554 -0.254 2.794 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.863 0.890 1.381 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.434 0.775 0.553 1.00 2.80 H new ATOM 0 HG13 VAL A 58 3.111 -0.329 0.108 1.00 2.80 H new ATOM 0 HG21 VAL A 58 2.147 -0.860 2.950 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.391 -2.114 1.710 1.00 2.85 H new ATOM 0 HG23 VAL A 58 3.194 -2.259 3.292 1.00 2.85 H new ATOM 905 N GLN A 59 6.952 -0.292 0.855 1.00 3.12 N ATOM 906 CA GLN A 59 7.859 0.442 -0.070 1.00 3.61 C ATOM 907 C GLN A 59 8.874 -0.524 -0.704 1.00 3.90 C ATOM 908 O GLN A 59 9.340 -0.301 -1.807 1.00 4.47 O ATOM 909 CB GLN A 59 8.580 1.547 0.697 1.00 3.82 C ATOM 910 CG GLN A 59 9.453 0.920 1.772 1.00 4.33 C ATOM 911 CD GLN A 59 10.219 2.012 2.523 1.00 4.72 C ATOM 912 OE1 GLN A 59 9.778 2.478 3.554 1.00 4.84 O ATOM 913 NE2 GLN A 59 11.358 2.440 2.046 1.00 5.29 N ATOM 0 H GLN A 59 7.149 -0.164 1.848 1.00 3.12 H new ATOM 0 HA GLN A 59 7.270 0.889 -0.871 1.00 3.61 H new ATOM 0 HB2 GLN A 59 9.190 2.140 0.016 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.856 2.225 1.149 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.836 0.352 2.468 1.00 4.33 H new ATOM 0 HG3 GLN A 59 10.153 0.217 1.320 1.00 4.33 H new ATOM 0 HE21 GLN A 59 11.728 2.048 1.180 1.00 5.29 H new ATOM 0 HE22 GLN A 59 11.877 3.166 2.540 1.00 5.29 H new ATOM 922 N ARG A 60 9.199 -1.607 -0.032 1.00 3.65 N ATOM 923 CA ARG A 60 10.158 -2.594 -0.614 1.00 3.97 C ATOM 924 C ARG A 60 9.392 -3.484 -1.591 1.00 3.96 C ATOM 925 O ARG A 60 9.885 -3.835 -2.644 1.00 4.42 O ATOM 926 CB ARG A 60 10.768 -3.453 0.501 1.00 4.07 C ATOM 927 CG ARG A 60 12.205 -3.835 0.131 1.00 4.60 C ATOM 928 CD ARG A 60 12.615 -5.096 0.899 1.00 4.81 C ATOM 929 NE ARG A 60 14.070 -5.033 1.225 1.00 5.26 N ATOM 930 CZ ARG A 60 14.461 -5.031 2.472 1.00 5.84 C ATOM 931 NH1 ARG A 60 14.403 -3.927 3.174 1.00 6.25 N ATOM 932 NH2 ARG A 60 14.910 -6.132 3.018 1.00 6.35 N ATOM 0 H ARG A 60 8.840 -1.846 0.892 1.00 3.65 H new ATOM 0 HA ARG A 60 10.964 -2.073 -1.130 1.00 3.97 H new ATOM 0 HB2 ARG A 60 10.758 -2.904 1.443 1.00 4.07 H new ATOM 0 HB3 ARG A 60 10.169 -4.352 0.650 1.00 4.07 H new ATOM 0 HG2 ARG A 60 12.281 -4.010 -0.942 1.00 4.60 H new ATOM 0 HG3 ARG A 60 12.883 -3.015 0.369 1.00 4.60 H new ATOM 0 HD2 ARG A 60 12.030 -5.182 1.815 1.00 4.81 H new ATOM 0 HD3 ARG A 60 12.404 -5.983 0.301 1.00 4.81 H new ATOM 0 HE ARG A 60 14.759 -4.991 0.474 1.00 5.26 H new ATOM 0 HH11 ARG A 60 14.053 -3.069 2.747 1.00 6.25 H new ATOM 0 HH12 ARG A 60 14.708 -3.925 4.147 1.00 6.25 H new ATOM 0 HH21 ARG A 60 14.955 -6.991 2.470 1.00 6.35 H new ATOM 0 HH22 ARG A 60 15.215 -6.131 3.991 1.00 6.35 H new ATOM 946 N VAL A 61 8.175 -3.837 -1.242 1.00 3.58 N ATOM 947 CA VAL A 61 7.341 -4.689 -2.139 1.00 3.55 C ATOM 948 C VAL A 61 7.057 -3.926 -3.441 1.00 3.25 C ATOM 949 O VAL A 61 7.139 -4.482 -4.520 1.00 3.52 O ATOM 950 CB VAL A 61 6.027 -5.031 -1.416 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.970 -5.494 -2.420 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.283 -6.147 -0.400 1.00 4.31 C ATOM 0 H VAL A 61 7.725 -3.567 -0.367 1.00 3.58 H new ATOM 0 HA VAL A 61 7.866 -5.613 -2.383 1.00 3.55 H new ATOM 0 HB VAL A 61 5.663 -4.139 -0.906 1.00 3.59 H new ATOM 0 HG11 VAL A 61 4.046 -5.732 -1.892 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.781 -4.699 -3.142 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.328 -6.381 -2.942 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.353 -6.391 0.114 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.655 -7.031 -0.917 1.00 4.31 H new ATOM 0 HG23 VAL A 61 7.023 -5.814 0.328 1.00 4.31 H new ATOM 962 N VAL A 62 6.737 -2.655 -3.345 1.00 2.99 N ATOM 963 CA VAL A 62 6.461 -1.848 -4.575 1.00 3.22 C ATOM 964 C VAL A 62 7.750 -1.734 -5.402 1.00 3.80 C ATOM 965 O VAL A 62 7.728 -1.858 -6.612 1.00 4.15 O ATOM 966 CB VAL A 62 5.969 -0.448 -4.173 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.838 0.438 -5.417 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.601 -0.559 -3.491 1.00 3.34 C ATOM 0 H VAL A 62 6.656 -2.143 -2.466 1.00 2.99 H new ATOM 0 HA VAL A 62 5.690 -2.336 -5.172 1.00 3.22 H new ATOM 0 HB VAL A 62 6.689 -0.005 -3.486 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.489 1.428 -5.123 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.809 0.525 -5.905 1.00 4.40 H new ATOM 0 HG13 VAL A 62 5.123 -0.009 -6.108 1.00 4.40 H new ATOM 0 HG21 VAL A 62 4.254 0.435 -3.207 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.886 -1.009 -4.180 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.688 -1.181 -2.600 1.00 3.34 H new ATOM 978 N GLU A 63 8.873 -1.504 -4.755 1.00 4.04 N ATOM 979 CA GLU A 63 10.164 -1.388 -5.493 1.00 4.68 C ATOM 980 C GLU A 63 10.503 -2.726 -6.159 1.00 4.70 C ATOM 981 O GLU A 63 10.927 -2.766 -7.295 1.00 5.23 O ATOM 982 CB GLU A 63 11.283 -1.003 -4.520 1.00 5.11 C ATOM 983 CG GLU A 63 11.451 0.519 -4.504 1.00 5.73 C ATOM 984 CD GLU A 63 12.495 0.911 -3.455 1.00 6.00 C ATOM 985 OE1 GLU A 63 13.665 0.967 -3.803 1.00 6.46 O ATOM 986 OE2 GLU A 63 12.107 1.150 -2.322 1.00 6.04 O ATOM 0 H GLU A 63 8.945 -1.392 -3.744 1.00 4.04 H new ATOM 0 HA GLU A 63 10.069 -0.618 -6.259 1.00 4.68 H new ATOM 0 HB2 GLU A 63 11.047 -1.363 -3.519 1.00 5.11 H new ATOM 0 HB3 GLU A 63 12.217 -1.479 -4.818 1.00 5.11 H new ATOM 0 HG2 GLU A 63 11.760 0.871 -5.488 1.00 5.73 H new ATOM 0 HG3 GLU A 63 10.498 0.998 -4.279 1.00 5.73 H new ATOM 993 N LYS A 64 10.316 -3.823 -5.462 1.00 4.35 N ATOM 994 CA LYS A 64 10.619 -5.154 -6.057 1.00 4.71 C ATOM 995 C LYS A 64 9.624 -5.458 -7.189 1.00 4.54 C ATOM 996 O LYS A 64 9.934 -6.187 -8.114 1.00 5.00 O ATOM 997 CB LYS A 64 10.513 -6.235 -4.978 1.00 4.74 C ATOM 998 CG LYS A 64 11.483 -7.373 -5.300 1.00 5.62 C ATOM 999 CD LYS A 64 11.206 -8.560 -4.375 1.00 6.24 C ATOM 1000 CE LYS A 64 12.372 -9.550 -4.448 1.00 7.07 C ATOM 1001 NZ LYS A 64 12.166 -10.486 -5.590 1.00 7.79 N ATOM 0 H LYS A 64 9.965 -3.848 -4.504 1.00 4.35 H new ATOM 0 HA LYS A 64 11.631 -5.143 -6.462 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.744 -5.812 -4.000 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.493 -6.615 -4.928 1.00 4.74 H new ATOM 0 HG2 LYS A 64 11.371 -7.676 -6.341 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.511 -7.034 -5.175 1.00 5.62 H new ATOM 0 HD2 LYS A 64 11.074 -8.213 -3.350 1.00 6.24 H new ATOM 0 HD3 LYS A 64 10.278 -9.053 -4.666 1.00 6.24 H new ATOM 0 HE2 LYS A 64 13.312 -9.012 -4.572 1.00 7.07 H new ATOM 0 HE3 LYS A 64 12.446 -10.109 -3.515 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 12.959 -11.157 -5.637 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 11.278 -11.009 -5.454 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 12.117 -9.946 -6.477 1.00 7.79 H new ATOM 1015 N PHE A 65 8.435 -4.904 -7.121 1.00 4.02 N ATOM 1016 CA PHE A 65 7.414 -5.151 -8.178 1.00 3.99 C ATOM 1017 C PHE A 65 7.771 -4.356 -9.442 1.00 4.72 C ATOM 1018 O PHE A 65 7.728 -4.878 -10.540 1.00 5.31 O ATOM 1019 CB PHE A 65 6.049 -4.700 -7.650 1.00 3.16 C ATOM 1020 CG PHE A 65 4.947 -5.477 -8.335 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.877 -6.869 -8.197 1.00 2.97 C ATOM 1022 CD2 PHE A 65 3.994 -4.802 -9.105 1.00 3.45 C ATOM 1023 CE1 PHE A 65 3.855 -7.584 -8.832 1.00 3.10 C ATOM 1024 CE2 PHE A 65 2.971 -5.516 -9.739 1.00 3.48 C ATOM 1025 CZ PHE A 65 2.901 -6.908 -9.603 1.00 3.19 C ATOM 0 H PHE A 65 8.130 -4.286 -6.369 1.00 4.02 H new ATOM 0 HA PHE A 65 7.385 -6.212 -8.428 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.998 -4.854 -6.572 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.916 -3.633 -7.826 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.611 -7.390 -7.601 1.00 2.97 H new ATOM 0 HD2 PHE A 65 4.048 -3.728 -9.210 1.00 3.45 H new ATOM 0 HE1 PHE A 65 3.802 -8.658 -8.727 1.00 3.10 H new ATOM 0 HE2 PHE A 65 2.236 -4.994 -10.333 1.00 3.48 H new ATOM 0 HZ PHE A 65 2.112 -7.460 -10.092 1.00 3.19 H new ATOM 1035 N LEU A 66 8.121 -3.097 -9.295 1.00 4.92 N ATOM 1036 CA LEU A 66 8.479 -2.268 -10.490 1.00 5.86 C ATOM 1037 C LEU A 66 9.989 -2.359 -10.748 1.00 6.61 C ATOM 1038 O LEU A 66 10.415 -2.848 -11.777 1.00 7.33 O ATOM 1039 CB LEU A 66 8.085 -0.807 -10.239 1.00 6.18 C ATOM 1040 CG LEU A 66 6.566 -0.656 -10.376 1.00 7.14 C ATOM 1041 CD1 LEU A 66 6.110 0.610 -9.648 1.00 7.61 C ATOM 1042 CD2 LEU A 66 6.193 -0.553 -11.858 1.00 7.67 C ATOM 0 H LEU A 66 8.174 -2.610 -8.400 1.00 4.92 H new ATOM 0 HA LEU A 66 7.942 -2.641 -11.362 1.00 5.86 H new ATOM 0 HB2 LEU A 66 8.403 -0.499 -9.243 1.00 6.18 H new ATOM 0 HB3 LEU A 66 8.592 -0.155 -10.951 1.00 6.18 H new ATOM 0 HG LEU A 66 6.075 -1.525 -9.937 1.00 7.14 H new ATOM 0 HD11 LEU A 66 5.030 0.717 -9.746 1.00 7.61 H new ATOM 0 HD12 LEU A 66 6.373 0.538 -8.593 1.00 7.61 H new ATOM 0 HD13 LEU A 66 6.602 1.479 -10.086 1.00 7.61 H new ATOM 0 HD21 LEU A 66 5.113 -0.446 -11.955 1.00 7.67 H new ATOM 0 HD22 LEU A 66 6.685 0.315 -12.297 1.00 7.67 H new ATOM 0 HD23 LEU A 66 6.516 -1.455 -12.378 1.00 7.67 H new ATOM 1054 N LYS A 67 10.793 -1.898 -9.813 1.00 6.57 N ATOM 1055 CA LYS A 67 12.285 -1.949 -9.965 1.00 7.47 C ATOM 1056 C LYS A 67 12.746 -0.946 -11.033 1.00 7.85 C ATOM 1057 O LYS A 67 12.538 -1.141 -12.217 1.00 8.14 O ATOM 1058 CB LYS A 67 12.729 -3.369 -10.353 1.00 7.84 C ATOM 1059 CG LYS A 67 14.003 -3.737 -9.585 1.00 8.78 C ATOM 1060 CD LYS A 67 15.229 -3.217 -10.342 1.00 9.42 C ATOM 1061 CE LYS A 67 16.372 -2.961 -9.355 1.00 10.12 C ATOM 1062 NZ LYS A 67 17.109 -1.727 -9.754 1.00 10.40 N ATOM 0 H LYS A 67 10.472 -1.483 -8.939 1.00 6.57 H new ATOM 0 HA LYS A 67 12.742 -1.683 -9.012 1.00 7.47 H new ATOM 0 HB2 LYS A 67 11.937 -4.083 -10.127 1.00 7.84 H new ATOM 0 HB3 LYS A 67 12.911 -3.424 -11.426 1.00 7.84 H new ATOM 0 HG2 LYS A 67 13.973 -3.308 -8.584 1.00 8.78 H new ATOM 0 HG3 LYS A 67 14.068 -4.819 -9.466 1.00 8.78 H new ATOM 0 HD2 LYS A 67 15.540 -3.943 -11.093 1.00 9.42 H new ATOM 0 HD3 LYS A 67 14.979 -2.297 -10.871 1.00 9.42 H new ATOM 0 HE2 LYS A 67 15.976 -2.850 -8.345 1.00 10.12 H new ATOM 0 HE3 LYS A 67 17.051 -3.814 -9.340 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 17.885 -1.554 -9.083 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 17.499 -1.849 -10.710 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 16.458 -0.916 -9.747 1.00 10.40 H new ATOM 1076 N ARG A 68 13.377 0.124 -10.614 1.00 8.12 N ATOM 1077 CA ARG A 68 13.867 1.153 -11.585 1.00 8.78 C ATOM 1078 C ARG A 68 14.878 2.078 -10.896 1.00 8.99 C ATOM 1079 O ARG A 68 15.068 2.021 -9.694 1.00 8.81 O ATOM 1080 CB ARG A 68 12.693 1.991 -12.111 1.00 9.33 C ATOM 1081 CG ARG A 68 11.795 2.437 -10.951 1.00 9.61 C ATOM 1082 CD ARG A 68 11.776 3.966 -10.874 1.00 10.05 C ATOM 1083 NE ARG A 68 11.092 4.392 -9.619 1.00 10.53 N ATOM 1084 CZ ARG A 68 9.847 4.789 -9.654 1.00 10.90 C ATOM 1085 NH1 ARG A 68 8.882 3.906 -9.725 1.00 11.02 N ATOM 1086 NH2 ARG A 68 9.568 6.066 -9.614 1.00 11.35 N ATOM 0 H ARG A 68 13.575 0.330 -9.635 1.00 8.12 H new ATOM 0 HA ARG A 68 14.346 0.642 -12.420 1.00 8.78 H new ATOM 0 HB2 ARG A 68 13.070 2.864 -12.644 1.00 9.33 H new ATOM 0 HB3 ARG A 68 12.112 1.408 -12.826 1.00 9.33 H new ATOM 0 HG2 ARG A 68 10.783 2.058 -11.094 1.00 9.61 H new ATOM 0 HG3 ARG A 68 12.162 2.020 -10.013 1.00 9.61 H new ATOM 0 HD2 ARG A 68 12.794 4.355 -10.896 1.00 10.05 H new ATOM 0 HD3 ARG A 68 11.259 4.378 -11.741 1.00 10.05 H new ATOM 0 HE ARG A 68 11.596 4.374 -8.732 1.00 10.53 H new ATOM 0 HH11 ARG A 68 9.103 2.911 -9.753 1.00 11.02 H new ATOM 0 HH12 ARG A 68 7.910 4.214 -9.752 1.00 11.02 H new ATOM 0 HH21 ARG A 68 10.321 6.751 -9.556 1.00 11.35 H new ATOM 0 HH22 ARG A 68 8.597 6.377 -9.641 1.00 11.35 H new ATOM 1100 N ALA A 69 15.521 2.932 -11.654 1.00 9.61 N ATOM 1101 CA ALA A 69 16.523 3.871 -11.058 1.00 10.14 C ATOM 1102 C ALA A 69 16.924 4.933 -12.093 1.00 10.89 C ATOM 1103 O ALA A 69 18.095 5.158 -12.347 1.00 11.20 O ATOM 1104 CB ALA A 69 17.763 3.083 -10.618 1.00 10.08 C ATOM 0 H ALA A 69 15.395 3.020 -12.662 1.00 9.61 H new ATOM 0 HA ALA A 69 16.082 4.367 -10.193 1.00 10.14 H new ATOM 0 HB1 ALA A 69 18.493 3.766 -10.184 1.00 10.08 H new ATOM 0 HB2 ALA A 69 17.476 2.338 -9.875 1.00 10.08 H new ATOM 0 HB3 ALA A 69 18.202 2.584 -11.482 1.00 10.08 H new ATOM 1110 N GLU A 70 15.959 5.592 -12.691 1.00 11.37 N ATOM 1111 CA GLU A 70 16.276 6.641 -13.707 1.00 12.24 C ATOM 1112 C GLU A 70 15.519 7.928 -13.360 1.00 12.45 C ATOM 1113 O GLU A 70 16.114 8.919 -12.981 1.00 12.32 O ATOM 1114 CB GLU A 70 15.860 6.151 -15.101 1.00 12.79 C ATOM 1115 CG GLU A 70 16.760 4.986 -15.532 1.00 12.48 C ATOM 1116 CD GLU A 70 18.126 5.523 -15.974 1.00 13.18 C ATOM 1117 OE1 GLU A 70 18.228 5.967 -17.107 1.00 13.63 O ATOM 1118 OE2 GLU A 70 19.045 5.482 -15.173 1.00 13.39 O ATOM 0 H GLU A 70 14.964 5.447 -12.517 1.00 11.37 H new ATOM 0 HA GLU A 70 17.348 6.840 -13.705 1.00 12.24 H new ATOM 0 HB2 GLU A 70 14.818 5.832 -15.088 1.00 12.79 H new ATOM 0 HB3 GLU A 70 15.935 6.966 -15.821 1.00 12.79 H new ATOM 0 HG2 GLU A 70 16.884 4.285 -14.706 1.00 12.48 H new ATOM 0 HG3 GLU A 70 16.293 4.436 -16.349 1.00 12.48 H new ATOM 1125 N ASN A 71 14.211 7.916 -13.481 1.00 12.96 N ATOM 1126 CA ASN A 71 13.404 9.132 -13.154 1.00 13.39 C ATOM 1127 C ASN A 71 11.921 8.756 -13.086 1.00 13.77 C ATOM 1128 O ASN A 71 11.266 8.967 -12.081 1.00 13.98 O ATOM 1129 CB ASN A 71 13.612 10.200 -14.238 1.00 13.14 C ATOM 1130 CG ASN A 71 14.326 11.414 -13.636 1.00 12.70 C ATOM 1131 OD1 ASN A 71 15.453 11.706 -13.987 1.00 12.77 O ATOM 1132 ND2 ASN A 71 13.715 12.143 -12.740 1.00 12.41 N ATOM 0 H ASN A 71 13.668 7.111 -13.794 1.00 12.96 H new ATOM 0 HA ASN A 71 13.725 9.529 -12.191 1.00 13.39 H new ATOM 0 HB2 ASN A 71 14.201 9.790 -15.058 1.00 13.14 H new ATOM 0 HB3 ASN A 71 12.651 10.501 -14.655 1.00 13.14 H new ATOM 0 HD21 ASN A 71 14.183 12.955 -12.337 1.00 12.41 H new ATOM 0 HD22 ASN A 71 12.770 11.901 -12.444 1.00 12.41 H new ATOM 1139 N SER A 72 11.389 8.199 -14.148 1.00 14.02 N ATOM 1140 CA SER A 72 9.948 7.803 -14.156 1.00 14.59 C ATOM 1141 C SER A 72 9.838 6.274 -14.084 1.00 15.09 C ATOM 1142 O SER A 72 9.186 5.791 -13.171 1.00 15.38 O ATOM 1143 CB SER A 72 9.289 8.310 -15.442 1.00 14.66 C ATOM 1144 OG SER A 72 9.222 9.731 -15.407 1.00 14.60 O ATOM 1145 OXT SER A 72 10.407 5.611 -14.940 1.00 15.30 O ATOM 0 H SER A 72 11.894 8.002 -15.012 1.00 14.02 H new ATOM 0 HA SER A 72 9.443 8.241 -13.295 1.00 14.59 H new ATOM 0 HB2 SER A 72 9.860 7.983 -16.311 1.00 14.66 H new ATOM 0 HB3 SER A 72 8.288 7.890 -15.542 1.00 14.66 H new ATOM 0 HG SER A 72 8.802 10.059 -16.230 1.00 14.60 H new TER 1151 SER A 72