USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -33:sc= -2.55! USER MOD Set 1.2: A 39 SER OG : rot 84:sc= 1.09 USER MOD Single : A 1 ILE N :NH3+ -168:sc= -0.42 (180deg=-0.863) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.0348 (180deg=-0.319) USER MOD Single : A 23 SER OG : rot 37:sc= 0.196 USER MOD Single : A 28 MET CE :methyl 146:sc= -5.84! (180deg=-10.3!) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.0189 (180deg=-0.199) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.658 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -140:sc= -3.24 USER MOD Single : A 41 ASN : amide:sc= -0.0167 K(o=-0.017,f=-0.92) USER MOD Single : A 43 GLN : amide:sc=-0.00104 X(o=-0.001,f=0) USER MOD Single : A 49 SER OG : rot 112:sc= 0.156 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.150 -2.317 10.686 1.00 0.00 N ATOM 2 CA ILE A 1 8.766 -1.809 10.872 1.00 0.00 C ATOM 3 C ILE A 1 8.031 -1.714 9.537 1.00 0.00 C ATOM 4 O ILE A 1 8.525 -1.097 8.593 1.00 0.00 O ATOM 5 CB ILE A 1 8.767 -0.419 11.536 1.00 0.00 C ATOM 6 CG1 ILE A 1 9.704 -0.405 12.746 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.355 -0.027 11.949 1.00 0.00 C ATOM 8 CD1 ILE A 1 9.832 0.955 13.397 1.00 0.00 C ATOM 0 H1 ILE A 1 10.556 -2.564 11.611 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.131 -3.161 10.079 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.732 -1.581 10.238 1.00 0.00 H new ATOM 0 HA ILE A 1 8.252 -2.519 11.520 1.00 0.00 H new ATOM 0 HB ILE A 1 9.130 0.311 10.812 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.341 -1.119 13.485 1.00 0.00 H new ATOM 0 HG13 ILE A 1 10.692 -0.744 12.434 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.373 0.957 12.417 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.713 0.001 11.069 1.00 0.00 H new ATOM 0 HG23 ILE A 1 6.967 -0.758 12.658 1.00 0.00 H new ATOM 0 HD11 ILE A 1 10.511 0.889 14.247 1.00 0.00 H new ATOM 0 HD12 ILE A 1 10.225 1.669 12.673 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.852 1.288 13.740 1.00 0.00 H new ATOM 22 N PRO A 2 6.836 -2.325 9.435 1.00 0.00 N ATOM 23 CA PRO A 2 6.044 -2.304 8.212 1.00 0.00 C ATOM 24 C PRO A 2 5.125 -1.089 8.138 1.00 0.00 C ATOM 25 O PRO A 2 5.222 -0.176 8.958 1.00 0.00 O ATOM 26 CB PRO A 2 5.230 -3.589 8.327 1.00 0.00 C ATOM 27 CG PRO A 2 5.021 -3.782 9.794 1.00 0.00 C ATOM 28 CD PRO A 2 6.163 -3.088 10.502 1.00 0.00 C ATOM 0 HA PRO A 2 6.659 -2.242 7.314 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.279 -3.503 7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.762 -4.434 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.064 -3.363 10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.001 -4.843 10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.801 -2.432 11.294 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.839 -3.806 10.966 1.00 0.00 H new ATOM 36 N ALA A 3 4.231 -1.084 7.154 1.00 0.00 N ATOM 37 CA ALA A 3 3.298 0.016 6.982 1.00 0.00 C ATOM 38 C ALA A 3 1.942 -0.318 7.599 1.00 0.00 C ATOM 39 O ALA A 3 1.704 -1.452 8.009 1.00 0.00 O ATOM 40 CB ALA A 3 3.149 0.371 5.509 1.00 0.00 C ATOM 0 H ALA A 3 4.136 -1.831 6.466 1.00 0.00 H new ATOM 0 HA ALA A 3 3.700 0.885 7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.446 1.197 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.118 0.665 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.776 -0.495 4.962 1.00 0.00 H new ATOM 46 N PHE A 4 1.059 0.676 7.673 1.00 0.00 N ATOM 47 CA PHE A 4 -0.263 0.481 8.252 1.00 0.00 C ATOM 48 C PHE A 4 -1.362 1.037 7.351 1.00 0.00 C ATOM 49 O PHE A 4 -1.296 2.182 6.907 1.00 0.00 O ATOM 50 CB PHE A 4 -0.331 1.135 9.626 1.00 0.00 C ATOM 51 CG PHE A 4 -1.678 1.031 10.284 1.00 0.00 C ATOM 52 CD1 PHE A 4 -2.009 -0.076 11.046 1.00 0.00 C ATOM 53 CD2 PHE A 4 -2.613 2.045 10.138 1.00 0.00 C ATOM 54 CE1 PHE A 4 -3.248 -0.174 11.652 1.00 0.00 C ATOM 55 CE2 PHE A 4 -3.853 1.953 10.741 1.00 0.00 C ATOM 56 CZ PHE A 4 -4.170 0.843 11.499 1.00 0.00 C ATOM 0 H PHE A 4 1.238 1.623 7.339 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.428 -0.592 8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.415 0.675 10.274 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.065 2.188 9.530 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.291 -0.873 11.169 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.369 2.915 9.547 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.494 -1.043 12.243 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.573 2.748 10.620 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.138 0.770 11.972 1.00 0.00 H new ATOM 66 N VAL A 5 -2.380 0.223 7.092 1.00 0.00 N ATOM 67 CA VAL A 5 -3.496 0.644 6.255 1.00 0.00 C ATOM 68 C VAL A 5 -4.534 1.392 7.084 1.00 0.00 C ATOM 69 O VAL A 5 -4.875 0.975 8.191 1.00 0.00 O ATOM 70 CB VAL A 5 -4.169 -0.558 5.566 1.00 0.00 C ATOM 71 CG1 VAL A 5 -5.237 -0.087 4.590 1.00 0.00 C ATOM 72 CG2 VAL A 5 -3.132 -1.418 4.860 1.00 0.00 C ATOM 0 H VAL A 5 -2.455 -0.730 7.449 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.094 1.306 5.488 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.653 -1.167 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.701 -0.951 4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.996 0.482 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.781 0.546 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.626 -2.262 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.617 -0.822 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.409 -1.787 5.588 1.00 0.00 H new ATOM 82 N LYS A 6 -5.025 2.504 6.548 1.00 0.00 N ATOM 83 CA LYS A 6 -6.016 3.313 7.250 1.00 0.00 C ATOM 84 C LYS A 6 -7.431 2.823 6.977 1.00 0.00 C ATOM 85 O LYS A 6 -8.233 2.662 7.897 1.00 0.00 O ATOM 86 CB LYS A 6 -5.884 4.782 6.845 1.00 0.00 C ATOM 87 CG LYS A 6 -4.544 5.397 7.216 1.00 0.00 C ATOM 88 CD LYS A 6 -4.249 6.634 6.382 1.00 0.00 C ATOM 89 CE LYS A 6 -3.428 7.651 7.161 1.00 0.00 C ATOM 90 NZ LYS A 6 -4.203 8.889 7.444 1.00 0.00 N ATOM 0 H LYS A 6 -4.755 2.865 5.633 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.826 3.216 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.028 4.868 5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.681 5.354 7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.544 5.661 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.752 4.662 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.710 6.345 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.186 7.090 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.096 7.208 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.532 7.905 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.609 9.557 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.498 9.326 6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.045 8.651 8.006 1.00 0.00 H new ATOM 104 N PHE A 7 -7.735 2.598 5.708 1.00 0.00 N ATOM 105 CA PHE A 7 -9.055 2.139 5.310 1.00 0.00 C ATOM 106 C PHE A 7 -8.968 1.090 4.202 1.00 0.00 C ATOM 107 O PHE A 7 -8.039 1.098 3.395 1.00 0.00 O ATOM 108 CB PHE A 7 -9.902 3.321 4.844 1.00 0.00 C ATOM 109 CG PHE A 7 -11.082 3.601 5.731 1.00 0.00 C ATOM 110 CD1 PHE A 7 -11.957 2.586 6.083 1.00 0.00 C ATOM 111 CD2 PHE A 7 -11.316 4.879 6.211 1.00 0.00 C ATOM 112 CE1 PHE A 7 -13.043 2.841 6.899 1.00 0.00 C ATOM 113 CE2 PHE A 7 -12.400 5.141 7.027 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.265 4.120 7.372 1.00 0.00 C ATOM 0 H PHE A 7 -7.083 2.727 4.935 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.526 1.676 6.177 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.274 4.211 4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.257 3.127 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -11.789 1.584 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -10.643 5.681 5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -13.718 2.041 7.167 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -12.571 6.142 7.395 1.00 0.00 H new ATOM 0 HZ PHE A 7 -14.113 4.321 8.010 1.00 0.00 H new ATOM 124 N ALA A 8 -9.949 0.190 4.171 1.00 0.00 N ATOM 125 CA ALA A 8 -9.992 -0.861 3.166 1.00 0.00 C ATOM 126 C ALA A 8 -10.593 -0.352 1.860 1.00 0.00 C ATOM 127 O ALA A 8 -11.562 0.407 1.865 1.00 0.00 O ATOM 128 CB ALA A 8 -10.785 -2.056 3.682 1.00 0.00 C ATOM 0 H ALA A 8 -10.724 0.171 4.833 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.968 -1.176 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.808 -2.834 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.311 -2.445 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.803 -1.744 3.914 1.00 0.00 H new ATOM 134 N TYR A 9 -10.013 -0.778 0.744 1.00 0.00 N ATOM 135 CA TYR A 9 -10.492 -0.369 -0.571 1.00 0.00 C ATOM 136 C TYR A 9 -10.554 -1.563 -1.518 1.00 0.00 C ATOM 137 O TYR A 9 -9.562 -2.264 -1.712 1.00 0.00 O ATOM 138 CB TYR A 9 -9.583 0.717 -1.157 1.00 0.00 C ATOM 139 CG TYR A 9 -10.110 1.336 -2.435 1.00 0.00 C ATOM 140 CD1 TYR A 9 -11.474 1.496 -2.648 1.00 0.00 C ATOM 141 CD2 TYR A 9 -9.238 1.762 -3.430 1.00 0.00 C ATOM 142 CE1 TYR A 9 -11.954 2.060 -3.814 1.00 0.00 C ATOM 143 CE2 TYR A 9 -9.710 2.328 -4.598 1.00 0.00 C ATOM 144 CZ TYR A 9 -11.067 2.475 -4.785 1.00 0.00 C ATOM 145 OH TYR A 9 -11.542 3.039 -5.948 1.00 0.00 O ATOM 0 H TYR A 9 -9.210 -1.407 0.723 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.497 0.036 -0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.447 1.503 -0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.600 0.288 -1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.171 1.174 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.173 1.648 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.017 2.175 -3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.019 2.654 -5.361 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.788 3.278 -6.527 1.00 0.00 H new ATOM 155 N VAL A 10 -11.725 -1.790 -2.103 1.00 0.00 N ATOM 156 CA VAL A 10 -11.909 -2.898 -3.024 1.00 0.00 C ATOM 157 C VAL A 10 -11.570 -2.484 -4.452 1.00 0.00 C ATOM 158 O VAL A 10 -12.306 -1.725 -5.081 1.00 0.00 O ATOM 159 CB VAL A 10 -13.355 -3.432 -2.986 1.00 0.00 C ATOM 160 CG1 VAL A 10 -13.607 -4.199 -1.698 1.00 0.00 C ATOM 161 CG2 VAL A 10 -14.353 -2.292 -3.140 1.00 0.00 C ATOM 0 H VAL A 10 -12.558 -1.221 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.231 -3.690 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.490 -4.117 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.633 -4.568 -1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.918 -5.041 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.452 -3.539 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.367 -2.690 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.219 -1.579 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.188 -1.790 -4.093 1.00 0.00 H new ATOM 171 N ALA A 11 -10.448 -2.988 -4.958 1.00 0.00 N ATOM 172 CA ALA A 11 -10.012 -2.666 -6.311 1.00 0.00 C ATOM 173 C ALA A 11 -8.722 -3.393 -6.664 1.00 0.00 C ATOM 174 O ALA A 11 -7.643 -3.019 -6.205 1.00 0.00 O ATOM 175 CB ALA A 11 -9.834 -1.163 -6.469 1.00 0.00 C ATOM 0 H ALA A 11 -9.827 -3.619 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.786 -3.003 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.508 -0.940 -7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.782 -0.662 -6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.084 -0.809 -5.762 1.00 0.00 H new ATOM 181 N GLU A 12 -8.840 -4.432 -7.485 1.00 0.00 N ATOM 182 CA GLU A 12 -7.676 -5.203 -7.899 1.00 0.00 C ATOM 183 C GLU A 12 -7.604 -5.325 -9.419 1.00 0.00 C ATOM 184 O GLU A 12 -8.485 -5.907 -10.051 1.00 0.00 O ATOM 185 CB GLU A 12 -7.713 -6.596 -7.269 1.00 0.00 C ATOM 186 CG GLU A 12 -7.990 -6.581 -5.774 1.00 0.00 C ATOM 187 CD GLU A 12 -8.865 -7.737 -5.332 1.00 0.00 C ATOM 188 OE1 GLU A 12 -9.970 -7.894 -5.894 1.00 0.00 O ATOM 189 OE2 GLU A 12 -8.448 -8.484 -4.422 1.00 0.00 O ATOM 0 H GLU A 12 -9.725 -4.757 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.787 -4.674 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.480 -7.190 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.759 -7.092 -7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.045 -6.618 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.474 -5.641 -5.507 1.00 0.00 H new ATOM 196 N ARG A 13 -6.538 -4.778 -9.989 1.00 0.00 N ATOM 197 CA ARG A 13 -6.318 -4.823 -11.424 1.00 0.00 C ATOM 198 C ARG A 13 -4.825 -4.694 -11.712 1.00 0.00 C ATOM 199 O ARG A 13 -4.031 -4.488 -10.796 1.00 0.00 O ATOM 200 CB ARG A 13 -7.154 -3.727 -12.113 1.00 0.00 C ATOM 201 CG ARG A 13 -6.381 -2.710 -12.952 1.00 0.00 C ATOM 202 CD ARG A 13 -6.150 -1.425 -12.183 1.00 0.00 C ATOM 203 NE ARG A 13 -6.633 -0.259 -12.920 1.00 0.00 N ATOM 204 CZ ARG A 13 -6.947 0.904 -12.355 1.00 0.00 C ATOM 205 NH1 ARG A 13 -6.833 1.067 -11.043 1.00 0.00 N ATOM 206 NH2 ARG A 13 -7.379 1.908 -13.106 1.00 0.00 N ATOM 0 H ARG A 13 -5.806 -4.293 -9.470 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.647 -5.779 -11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.890 -4.211 -12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.708 -3.186 -11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.423 -3.135 -13.251 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.933 -2.495 -13.867 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.656 -1.482 -11.219 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.086 -1.310 -11.978 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.736 -0.342 -13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.503 0.298 -10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.076 1.962 -10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.470 1.788 -14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.620 2.800 -12.675 1.00 0.00 H new ATOM 220 N GLU A 14 -4.440 -4.814 -12.977 1.00 0.00 N ATOM 221 CA GLU A 14 -3.034 -4.701 -13.346 1.00 0.00 C ATOM 222 C GLU A 14 -2.448 -3.396 -12.814 1.00 0.00 C ATOM 223 O GLU A 14 -2.769 -2.315 -13.309 1.00 0.00 O ATOM 224 CB GLU A 14 -2.874 -4.768 -14.865 1.00 0.00 C ATOM 225 CG GLU A 14 -3.714 -3.743 -15.609 1.00 0.00 C ATOM 226 CD GLU A 14 -3.767 -4.006 -17.101 1.00 0.00 C ATOM 227 OE1 GLU A 14 -3.552 -5.167 -17.507 1.00 0.00 O ATOM 228 OE2 GLU A 14 -4.024 -3.050 -17.862 1.00 0.00 O ATOM 0 H GLU A 14 -5.074 -4.988 -13.757 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.493 -5.536 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.824 -4.619 -15.119 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.146 -5.766 -15.207 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.727 -3.748 -15.207 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.306 -2.748 -15.433 1.00 0.00 H new ATOM 235 N ASP A 15 -1.598 -3.513 -11.793 1.00 0.00 N ATOM 236 CA ASP A 15 -0.958 -2.355 -11.159 1.00 0.00 C ATOM 237 C ASP A 15 -1.835 -1.774 -10.049 1.00 0.00 C ATOM 238 O ASP A 15 -1.563 -0.687 -9.541 1.00 0.00 O ATOM 239 CB ASP A 15 -0.634 -1.269 -12.192 1.00 0.00 C ATOM 240 CG ASP A 15 0.710 -0.615 -11.942 1.00 0.00 C ATOM 241 OD1 ASP A 15 1.744 -1.298 -12.109 1.00 0.00 O ATOM 242 OD2 ASP A 15 0.731 0.580 -11.578 1.00 0.00 O ATOM 0 H ASP A 15 -1.333 -4.408 -11.382 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.026 -2.704 -10.715 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.642 -1.707 -13.190 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.414 -0.508 -12.172 1.00 0.00 H new ATOM 247 N GLU A 16 -2.888 -2.502 -9.676 1.00 0.00 N ATOM 248 CA GLU A 16 -3.797 -2.057 -8.629 1.00 0.00 C ATOM 249 C GLU A 16 -3.963 -3.136 -7.564 1.00 0.00 C ATOM 250 O GLU A 16 -4.105 -4.318 -7.876 1.00 0.00 O ATOM 251 CB GLU A 16 -5.157 -1.699 -9.240 1.00 0.00 C ATOM 252 CG GLU A 16 -6.330 -1.809 -8.281 1.00 0.00 C ATOM 253 CD GLU A 16 -7.191 -0.560 -8.259 1.00 0.00 C ATOM 254 OE1 GLU A 16 -6.732 0.469 -7.720 1.00 0.00 O ATOM 255 OE2 GLU A 16 -8.325 -0.611 -8.780 1.00 0.00 O ATOM 0 H GLU A 16 -3.130 -3.404 -10.087 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.375 -1.172 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.112 -0.679 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.340 -2.352 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.945 -2.664 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.955 -2.004 -7.276 1.00 0.00 H new ATOM 262 N LEU A 17 -3.960 -2.716 -6.305 1.00 0.00 N ATOM 263 CA LEU A 17 -4.127 -3.639 -5.192 1.00 0.00 C ATOM 264 C LEU A 17 -5.210 -3.144 -4.236 1.00 0.00 C ATOM 265 O LEU A 17 -5.350 -1.943 -4.010 1.00 0.00 O ATOM 266 CB LEU A 17 -2.802 -3.832 -4.452 1.00 0.00 C ATOM 267 CG LEU A 17 -1.964 -2.565 -4.262 1.00 0.00 C ATOM 268 CD1 LEU A 17 -2.770 -1.487 -3.558 1.00 0.00 C ATOM 269 CD2 LEU A 17 -0.697 -2.881 -3.481 1.00 0.00 C ATOM 0 H LEU A 17 -3.844 -1.741 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.442 -4.603 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.012 -4.258 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.205 -4.564 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.681 -2.189 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.155 -0.596 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.648 -1.241 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.086 -1.849 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.111 -1.971 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.963 -3.281 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.108 -3.618 -4.026 1.00 0.00 H new ATOM 281 N SER A 18 -5.978 -4.075 -3.681 1.00 0.00 N ATOM 282 CA SER A 18 -7.045 -3.726 -2.754 1.00 0.00 C ATOM 283 C SER A 18 -6.472 -3.384 -1.381 1.00 0.00 C ATOM 284 O SER A 18 -5.448 -3.933 -0.972 1.00 0.00 O ATOM 285 CB SER A 18 -8.058 -4.870 -2.648 1.00 0.00 C ATOM 286 OG SER A 18 -7.755 -5.731 -1.563 1.00 0.00 O ATOM 0 H SER A 18 -5.881 -5.075 -3.857 1.00 0.00 H new ATOM 0 HA SER A 18 -7.561 -2.846 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.060 -4.460 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.063 -5.441 -3.577 1.00 0.00 H new ATOM 0 HG SER A 18 -8.420 -6.450 -1.520 1.00 0.00 H new ATOM 292 N LEU A 19 -7.125 -2.463 -0.680 1.00 0.00 N ATOM 293 CA LEU A 19 -6.663 -2.040 0.638 1.00 0.00 C ATOM 294 C LEU A 19 -7.368 -2.806 1.753 1.00 0.00 C ATOM 295 O LEU A 19 -8.514 -3.231 1.607 1.00 0.00 O ATOM 296 CB LEU A 19 -6.891 -0.537 0.822 1.00 0.00 C ATOM 297 CG LEU A 19 -5.747 0.353 0.337 1.00 0.00 C ATOM 298 CD1 LEU A 19 -4.442 -0.047 1.008 1.00 0.00 C ATOM 299 CD2 LEU A 19 -5.621 0.277 -1.180 1.00 0.00 C ATOM 0 H LEU A 19 -7.973 -1.996 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.597 -2.258 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.801 -0.255 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.063 -0.338 1.880 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.969 1.385 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.638 0.596 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.541 0.060 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.211 -1.084 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.802 0.916 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.420 -0.752 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.551 0.613 -1.640 1.00 0.00 H new ATOM 311 N VAL A 20 -6.665 -2.974 2.869 1.00 0.00 N ATOM 312 CA VAL A 20 -7.204 -3.683 4.025 1.00 0.00 C ATOM 313 C VAL A 20 -7.884 -2.708 4.983 1.00 0.00 C ATOM 314 O VAL A 20 -7.534 -1.528 5.029 1.00 0.00 O ATOM 315 CB VAL A 20 -6.096 -4.448 4.784 1.00 0.00 C ATOM 316 CG1 VAL A 20 -6.658 -5.700 5.435 1.00 0.00 C ATOM 317 CG2 VAL A 20 -4.941 -4.802 3.856 1.00 0.00 C ATOM 0 H VAL A 20 -5.715 -2.626 2.997 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.935 -4.401 3.653 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.713 -3.793 5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.862 -6.224 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.441 -5.423 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.075 -6.353 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.176 -5.340 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.306 -5.431 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.513 -3.889 3.442 1.00 0.00 H new ATOM 327 N LYS A 21 -8.861 -3.197 5.743 1.00 0.00 N ATOM 328 CA LYS A 21 -9.582 -2.346 6.689 1.00 0.00 C ATOM 329 C LYS A 21 -8.637 -1.752 7.728 1.00 0.00 C ATOM 330 O LYS A 21 -8.740 -0.573 8.068 1.00 0.00 O ATOM 331 CB LYS A 21 -10.704 -3.120 7.390 1.00 0.00 C ATOM 332 CG LYS A 21 -10.406 -4.596 7.598 1.00 0.00 C ATOM 333 CD LYS A 21 -10.976 -5.439 6.467 1.00 0.00 C ATOM 334 CE LYS A 21 -9.905 -6.280 5.793 1.00 0.00 C ATOM 335 NZ LYS A 21 -9.905 -6.102 4.315 1.00 0.00 N ATOM 0 H LYS A 21 -9.170 -4.169 5.724 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.026 -1.533 6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.897 -2.660 8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.618 -3.024 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.328 -4.747 7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.828 -4.924 8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.757 -6.091 6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.444 -4.788 5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.927 -6.009 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.066 -7.331 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.061 -6.555 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.759 -6.539 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.896 -5.087 4.088 1.00 0.00 H new ATOM 349 N GLY A 22 -7.717 -2.568 8.232 1.00 0.00 N ATOM 350 CA GLY A 22 -6.778 -2.090 9.226 1.00 0.00 C ATOM 351 C GLY A 22 -5.568 -2.989 9.388 1.00 0.00 C ATOM 352 O GLY A 22 -4.929 -2.995 10.440 1.00 0.00 O ATOM 0 H GLY A 22 -7.606 -3.548 7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.445 -1.090 8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.288 -2.002 10.185 1.00 0.00 H new ATOM 356 N SER A 23 -5.250 -3.748 8.348 1.00 0.00 N ATOM 357 CA SER A 23 -4.107 -4.649 8.386 1.00 0.00 C ATOM 358 C SER A 23 -2.801 -3.888 8.183 1.00 0.00 C ATOM 359 O SER A 23 -2.785 -2.657 8.170 1.00 0.00 O ATOM 360 CB SER A 23 -4.248 -5.734 7.327 1.00 0.00 C ATOM 361 OG SER A 23 -3.275 -6.749 7.504 1.00 0.00 O ATOM 0 H SER A 23 -5.767 -3.758 7.469 1.00 0.00 H new ATOM 0 HA SER A 23 -4.082 -5.116 9.371 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.246 -6.170 7.379 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.143 -5.294 6.335 1.00 0.00 H new ATOM 0 HG SER A 23 -3.130 -6.900 8.461 1.00 0.00 H new ATOM 367 N ARG A 24 -1.708 -4.627 8.027 1.00 0.00 N ATOM 368 CA ARG A 24 -0.396 -4.023 7.827 1.00 0.00 C ATOM 369 C ARG A 24 0.200 -4.429 6.483 1.00 0.00 C ATOM 370 O ARG A 24 -0.055 -5.522 5.980 1.00 0.00 O ATOM 371 CB ARG A 24 0.545 -4.415 8.958 1.00 0.00 C ATOM 372 CG ARG A 24 0.245 -3.708 10.269 1.00 0.00 C ATOM 373 CD ARG A 24 1.126 -2.486 10.457 1.00 0.00 C ATOM 374 NE ARG A 24 1.299 -2.144 11.867 1.00 0.00 N ATOM 375 CZ ARG A 24 2.059 -2.838 12.711 1.00 0.00 C ATOM 376 NH1 ARG A 24 2.713 -3.917 12.293 1.00 0.00 N ATOM 377 NH2 ARG A 24 2.165 -2.454 13.975 1.00 0.00 N ATOM 0 H ARG A 24 -1.705 -5.647 8.035 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.522 -2.940 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.485 -5.492 9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.570 -4.193 8.661 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.803 -3.409 10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.397 -4.398 11.099 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.101 -2.670 10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.687 -1.639 9.930 1.00 0.00 H new ATOM 0 HE ARG A 24 0.808 -1.325 12.226 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.634 -4.217 11.321 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.294 -4.445 12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.664 -1.627 14.300 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.747 -2.985 14.622 1.00 0.00 H new ATOM 391 N VAL A 25 0.987 -3.530 5.908 1.00 0.00 N ATOM 392 CA VAL A 25 1.627 -3.765 4.619 1.00 0.00 C ATOM 393 C VAL A 25 3.143 -3.660 4.746 1.00 0.00 C ATOM 394 O VAL A 25 3.649 -3.141 5.738 1.00 0.00 O ATOM 395 CB VAL A 25 1.137 -2.745 3.571 1.00 0.00 C ATOM 396 CG1 VAL A 25 1.720 -3.048 2.200 1.00 0.00 C ATOM 397 CG2 VAL A 25 -0.381 -2.726 3.520 1.00 0.00 C ATOM 0 H VAL A 25 1.200 -2.621 6.319 1.00 0.00 H new ATOM 0 HA VAL A 25 1.359 -4.770 4.294 1.00 0.00 H new ATOM 0 HB VAL A 25 1.485 -1.756 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.358 -2.314 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.808 -3.002 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.412 -4.046 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.711 -2.001 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.748 -3.716 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.774 -2.447 4.497 1.00 0.00 H new ATOM 407 N THR A 26 3.869 -4.135 3.738 1.00 0.00 N ATOM 408 CA THR A 26 5.324 -4.062 3.763 1.00 0.00 C ATOM 409 C THR A 26 5.758 -2.666 3.338 1.00 0.00 C ATOM 410 O THR A 26 5.152 -2.075 2.447 1.00 0.00 O ATOM 411 CB THR A 26 5.956 -5.117 2.856 1.00 0.00 C ATOM 412 OG1 THR A 26 6.058 -4.632 1.537 1.00 0.00 O ATOM 413 CG2 THR A 26 5.190 -6.423 2.815 1.00 0.00 C ATOM 0 H THR A 26 3.478 -4.570 2.903 1.00 0.00 H new ATOM 0 HA THR A 26 5.666 -4.263 4.778 1.00 0.00 H new ATOM 0 HB THR A 26 6.938 -5.317 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.305 -4.033 1.350 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.698 -7.122 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.139 -6.847 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.181 -6.241 2.446 1.00 0.00 H new ATOM 421 N VAL A 27 6.775 -2.122 4.000 1.00 0.00 N ATOM 422 CA VAL A 27 7.227 -0.771 3.693 1.00 0.00 C ATOM 423 C VAL A 27 7.530 -0.633 2.204 1.00 0.00 C ATOM 424 O VAL A 27 8.640 -0.894 1.739 1.00 0.00 O ATOM 425 CB VAL A 27 8.483 -0.399 4.507 1.00 0.00 C ATOM 426 CG1 VAL A 27 9.627 -1.353 4.199 1.00 0.00 C ATOM 427 CG2 VAL A 27 8.892 1.041 4.235 1.00 0.00 C ATOM 0 H VAL A 27 7.295 -2.589 4.743 1.00 0.00 H new ATOM 0 HA VAL A 27 6.422 -0.089 3.965 1.00 0.00 H new ATOM 0 HB VAL A 27 8.242 -0.490 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.503 -1.072 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.331 -2.370 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.868 -1.301 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.780 1.284 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.111 1.163 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.079 1.710 4.517 1.00 0.00 H new ATOM 437 N MET A 28 6.498 -0.228 1.476 1.00 0.00 N ATOM 438 CA MET A 28 6.560 -0.044 0.036 1.00 0.00 C ATOM 439 C MET A 28 7.639 0.951 -0.357 1.00 0.00 C ATOM 440 O MET A 28 8.385 1.449 0.487 1.00 0.00 O ATOM 441 CB MET A 28 5.204 0.439 -0.475 1.00 0.00 C ATOM 442 CG MET A 28 4.045 -0.428 -0.010 1.00 0.00 C ATOM 443 SD MET A 28 3.127 0.307 1.359 1.00 0.00 S ATOM 444 CE MET A 28 1.895 1.258 0.476 1.00 0.00 C ATOM 0 H MET A 28 5.584 -0.016 1.876 1.00 0.00 H new ATOM 0 HA MET A 28 6.810 -1.004 -0.416 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.040 1.463 -0.140 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.220 0.459 -1.565 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.367 -0.599 -0.846 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.426 -1.402 0.296 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.964 1.263 1.043 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.248 2.281 0.348 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.721 0.809 -0.502 1.00 0.00 H new ATOM 454 N GLU A 29 7.703 1.242 -1.648 1.00 0.00 N ATOM 455 CA GLU A 29 8.675 2.189 -2.171 1.00 0.00 C ATOM 456 C GLU A 29 8.041 3.568 -2.302 1.00 0.00 C ATOM 457 O GLU A 29 6.815 3.696 -2.316 1.00 0.00 O ATOM 458 CB GLU A 29 9.228 1.734 -3.530 1.00 0.00 C ATOM 459 CG GLU A 29 8.454 0.610 -4.208 1.00 0.00 C ATOM 460 CD GLU A 29 9.284 -0.120 -5.247 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.054 -1.026 -4.863 1.00 0.00 O ATOM 462 OE2 GLU A 29 9.164 0.214 -6.445 1.00 0.00 O ATOM 0 H GLU A 29 7.091 0.834 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 29 9.507 2.237 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.249 2.593 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.260 1.411 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.115 -0.100 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.563 1.021 -4.682 1.00 0.00 H new ATOM 469 N LYS A 30 8.872 4.597 -2.391 1.00 0.00 N ATOM 470 CA LYS A 30 8.378 5.957 -2.515 1.00 0.00 C ATOM 471 C LYS A 30 9.141 6.729 -3.583 1.00 0.00 C ATOM 472 O LYS A 30 10.212 7.280 -3.323 1.00 0.00 O ATOM 473 CB LYS A 30 8.496 6.681 -1.176 1.00 0.00 C ATOM 474 CG LYS A 30 9.876 6.565 -0.556 1.00 0.00 C ATOM 475 CD LYS A 30 9.879 7.023 0.893 1.00 0.00 C ATOM 476 CE LYS A 30 11.096 6.502 1.638 1.00 0.00 C ATOM 477 NZ LYS A 30 11.006 5.038 1.890 1.00 0.00 N ATOM 0 H LYS A 30 9.889 4.514 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 30 7.331 5.906 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.255 7.735 -1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.758 6.275 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.215 5.530 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.584 7.164 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.866 8.112 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.972 6.676 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.995 6.717 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.194 7.029 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.698 4.768 2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.048 4.800 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.210 4.521 1.011 1.00 0.00 H new ATOM 491 N CYS A 31 8.576 6.779 -4.781 1.00 0.00 N ATOM 492 CA CYS A 31 9.192 7.499 -5.886 1.00 0.00 C ATOM 493 C CYS A 31 8.420 8.786 -6.172 1.00 0.00 C ATOM 494 O CYS A 31 7.244 8.900 -5.825 1.00 0.00 O ATOM 495 CB CYS A 31 9.251 6.617 -7.138 1.00 0.00 C ATOM 496 SG CYS A 31 9.789 7.472 -8.639 1.00 0.00 S ATOM 0 H CYS A 31 7.691 6.329 -5.013 1.00 0.00 H new ATOM 0 HA CYS A 31 10.212 7.760 -5.605 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.928 5.784 -6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.263 6.191 -7.313 1.00 0.00 H new ATOM 0 HG CYS A 31 9.805 6.635 -9.633 1.00 0.00 H new ATOM 502 N SER A 32 9.081 9.749 -6.805 1.00 0.00 N ATOM 503 CA SER A 32 8.443 11.021 -7.131 1.00 0.00 C ATOM 504 C SER A 32 7.184 10.807 -7.967 1.00 0.00 C ATOM 505 O SER A 32 6.150 11.428 -7.721 1.00 0.00 O ATOM 506 CB SER A 32 9.421 11.927 -7.882 1.00 0.00 C ATOM 507 OG SER A 32 9.086 13.294 -7.712 1.00 0.00 O ATOM 0 H SER A 32 10.054 9.675 -7.102 1.00 0.00 H new ATOM 0 HA SER A 32 8.155 11.502 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.434 11.751 -7.522 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.412 11.677 -8.943 1.00 0.00 H new ATOM 0 HG SER A 32 9.727 13.851 -8.200 1.00 0.00 H new ATOM 513 N ASP A 33 7.278 9.926 -8.957 1.00 0.00 N ATOM 514 CA ASP A 33 6.148 9.631 -9.829 1.00 0.00 C ATOM 515 C ASP A 33 5.092 8.805 -9.103 1.00 0.00 C ATOM 516 O ASP A 33 5.335 8.284 -8.014 1.00 0.00 O ATOM 517 CB ASP A 33 6.622 8.886 -11.079 1.00 0.00 C ATOM 518 CG ASP A 33 7.529 9.734 -11.948 1.00 0.00 C ATOM 519 OD1 ASP A 33 8.152 10.676 -11.414 1.00 0.00 O ATOM 520 OD2 ASP A 33 7.619 9.455 -13.162 1.00 0.00 O ATOM 0 H ASP A 33 8.126 9.403 -9.175 1.00 0.00 H new ATOM 0 HA ASP A 33 5.698 10.579 -10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.151 7.981 -10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.756 8.571 -11.661 1.00 0.00 H new ATOM 525 N GLY A 34 3.917 8.691 -9.714 1.00 0.00 N ATOM 526 CA GLY A 34 2.836 7.933 -9.119 1.00 0.00 C ATOM 527 C GLY A 34 2.960 6.438 -9.356 1.00 0.00 C ATOM 528 O GLY A 34 2.374 5.639 -8.625 1.00 0.00 O ATOM 0 H GLY A 34 3.695 9.113 -10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.813 8.125 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.887 8.283 -9.526 1.00 0.00 H new ATOM 532 N TRP A 35 3.721 6.057 -10.377 1.00 0.00 N ATOM 533 CA TRP A 35 3.914 4.644 -10.700 1.00 0.00 C ATOM 534 C TRP A 35 4.995 4.034 -9.814 1.00 0.00 C ATOM 535 O TRP A 35 6.184 4.280 -10.013 1.00 0.00 O ATOM 536 CB TRP A 35 4.294 4.462 -12.177 1.00 0.00 C ATOM 537 CG TRP A 35 3.928 5.622 -13.054 1.00 0.00 C ATOM 538 CD1 TRP A 35 2.742 6.298 -13.068 1.00 0.00 C ATOM 539 CD2 TRP A 35 4.758 6.243 -14.042 1.00 0.00 C ATOM 540 NE1 TRP A 35 2.783 7.302 -14.006 1.00 0.00 N ATOM 541 CE2 TRP A 35 4.010 7.289 -14.617 1.00 0.00 C ATOM 542 CE3 TRP A 35 6.060 6.017 -14.495 1.00 0.00 C ATOM 543 CZ2 TRP A 35 4.523 8.105 -15.621 1.00 0.00 C ATOM 544 CZ3 TRP A 35 6.568 6.828 -15.492 1.00 0.00 C ATOM 545 CH2 TRP A 35 5.801 7.861 -16.045 1.00 0.00 C ATOM 0 H TRP A 35 4.213 6.703 -10.994 1.00 0.00 H new ATOM 0 HA TRP A 35 2.970 4.131 -10.517 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.369 4.294 -12.246 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.806 3.565 -12.558 1.00 0.00 H new ATOM 0 HD1 TRP A 35 1.896 6.076 -12.435 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.024 7.951 -14.214 1.00 0.00 H new ATOM 0 HE3 TRP A 35 6.659 5.223 -14.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.934 8.902 -16.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.573 6.662 -15.851 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.227 8.478 -16.822 1.00 0.00 H new ATOM 556 N TRP A 36 4.574 3.246 -8.829 1.00 0.00 N ATOM 557 CA TRP A 36 5.503 2.607 -7.907 1.00 0.00 C ATOM 558 C TRP A 36 4.842 1.428 -7.200 1.00 0.00 C ATOM 559 O TRP A 36 3.707 1.527 -6.734 1.00 0.00 O ATOM 560 CB TRP A 36 6.006 3.629 -6.900 1.00 0.00 C ATOM 561 CG TRP A 36 7.494 3.648 -6.732 1.00 0.00 C ATOM 562 CD1 TRP A 36 8.151 4.009 -5.603 1.00 0.00 C ATOM 563 CD2 TRP A 36 8.510 3.308 -7.699 1.00 0.00 C ATOM 564 NE1 TRP A 36 9.508 3.920 -5.788 1.00 0.00 N ATOM 565 CE2 TRP A 36 9.755 3.489 -7.064 1.00 0.00 C ATOM 566 CE3 TRP A 36 8.497 2.869 -9.030 1.00 0.00 C ATOM 567 CZ2 TRP A 36 10.966 3.249 -7.708 1.00 0.00 C ATOM 568 CZ3 TRP A 36 9.701 2.631 -9.666 1.00 0.00 C ATOM 569 CH2 TRP A 36 10.920 2.821 -9.005 1.00 0.00 C ATOM 0 H TRP A 36 3.592 3.035 -8.650 1.00 0.00 H new ATOM 0 HA TRP A 36 6.351 2.220 -8.472 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.674 4.620 -7.209 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.545 3.426 -5.933 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.674 4.323 -4.686 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.217 4.139 -5.089 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.562 2.719 -9.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.908 3.396 -7.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 9.701 2.292 -10.692 1.00 0.00 H new ATOM 0 HH2 TRP A 36 11.843 2.625 -9.531 1.00 0.00 H new ATOM 580 N ARG A 37 5.543 0.302 -7.136 1.00 0.00 N ATOM 581 CA ARG A 37 4.977 -0.887 -6.513 1.00 0.00 C ATOM 582 C ARG A 37 5.652 -1.274 -5.206 1.00 0.00 C ATOM 583 O ARG A 37 6.872 -1.395 -5.118 1.00 0.00 O ATOM 584 CB ARG A 37 5.003 -2.061 -7.493 1.00 0.00 C ATOM 585 CG ARG A 37 3.704 -2.204 -8.269 1.00 0.00 C ATOM 586 CD ARG A 37 3.304 -3.659 -8.447 1.00 0.00 C ATOM 587 NE ARG A 37 1.901 -3.798 -8.831 1.00 0.00 N ATOM 588 CZ ARG A 37 1.395 -4.879 -9.421 1.00 0.00 C ATOM 589 NH1 ARG A 37 2.177 -5.912 -9.713 1.00 0.00 N ATOM 590 NH2 ARG A 37 0.104 -4.929 -9.717 1.00 0.00 N ATOM 0 H ARG A 37 6.488 0.188 -7.501 1.00 0.00 H new ATOM 0 HA ARG A 37 3.947 -0.637 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.827 -1.927 -8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.198 -2.983 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.909 -1.671 -7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.813 -1.736 -9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.935 -4.118 -9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.481 -4.200 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 37 1.271 -3.020 -8.635 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.171 -5.880 -9.485 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.784 -6.738 -10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.502 -4.139 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.284 -5.757 -10.169 1.00 0.00 H new ATOM 604 N GLY A 38 4.810 -1.490 -4.200 1.00 0.00 N ATOM 605 CA GLY A 38 5.272 -1.893 -2.885 1.00 0.00 C ATOM 606 C GLY A 38 5.054 -3.373 -2.648 1.00 0.00 C ATOM 607 O GLY A 38 4.877 -4.136 -3.598 1.00 0.00 O ATOM 0 H GLY A 38 3.798 -1.391 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.332 -1.660 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.745 -1.320 -2.122 1.00 0.00 H new ATOM 611 N SER A 39 5.057 -3.790 -1.385 1.00 0.00 N ATOM 612 CA SER A 39 4.855 -5.198 -1.064 1.00 0.00 C ATOM 613 C SER A 39 3.868 -5.385 0.082 1.00 0.00 C ATOM 614 O SER A 39 3.711 -4.519 0.942 1.00 0.00 O ATOM 615 CB SER A 39 6.193 -5.870 -0.731 1.00 0.00 C ATOM 616 OG SER A 39 7.232 -4.912 -0.617 1.00 0.00 O ATOM 0 H SER A 39 5.195 -3.182 -0.578 1.00 0.00 H new ATOM 0 HA SER A 39 4.427 -5.675 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.102 -6.425 0.203 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.444 -6.592 -1.508 1.00 0.00 H new ATOM 0 HG SER A 39 7.231 -4.534 0.287 1.00 0.00 H new ATOM 622 N TYR A 40 3.208 -6.536 0.074 1.00 0.00 N ATOM 623 CA TYR A 40 2.230 -6.884 1.094 1.00 0.00 C ATOM 624 C TYR A 40 2.498 -8.294 1.607 1.00 0.00 C ATOM 625 O TYR A 40 2.909 -9.167 0.844 1.00 0.00 O ATOM 626 CB TYR A 40 0.818 -6.815 0.515 1.00 0.00 C ATOM 627 CG TYR A 40 0.283 -5.413 0.333 1.00 0.00 C ATOM 628 CD1 TYR A 40 0.883 -4.530 -0.556 1.00 0.00 C ATOM 629 CD2 TYR A 40 -0.830 -4.976 1.041 1.00 0.00 C ATOM 630 CE1 TYR A 40 0.390 -3.251 -0.733 1.00 0.00 C ATOM 631 CE2 TYR A 40 -1.328 -3.699 0.870 1.00 0.00 C ATOM 632 CZ TYR A 40 -0.715 -2.841 -0.018 1.00 0.00 C ATOM 633 OH TYR A 40 -1.210 -1.571 -0.192 1.00 0.00 O ATOM 0 H TYR A 40 3.336 -7.253 -0.640 1.00 0.00 H new ATOM 0 HA TYR A 40 2.315 -6.174 1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.810 -7.322 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.143 -7.366 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.749 -4.848 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.314 -5.646 1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.868 -2.576 -1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.193 -3.374 1.429 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.483 -1.204 0.675 1.00 0.00 H new ATOM 643 N ASN A 41 2.262 -8.519 2.895 1.00 0.00 N ATOM 644 CA ASN A 41 2.483 -9.839 3.477 1.00 0.00 C ATOM 645 C ASN A 41 1.594 -10.876 2.800 1.00 0.00 C ATOM 646 O ASN A 41 0.491 -11.163 3.264 1.00 0.00 O ATOM 647 CB ASN A 41 2.213 -9.819 4.985 1.00 0.00 C ATOM 648 CG ASN A 41 0.971 -9.028 5.344 1.00 0.00 C ATOM 649 OD1 ASN A 41 -0.141 -9.555 5.335 1.00 0.00 O ATOM 650 ND2 ASN A 41 1.157 -7.753 5.664 1.00 0.00 N ATOM 0 H ASN A 41 1.922 -7.815 3.550 1.00 0.00 H new ATOM 0 HA ASN A 41 3.526 -10.111 3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.104 -10.842 5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.073 -9.390 5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.360 -7.169 5.916 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.097 -7.358 5.658 1.00 0.00 H new ATOM 657 N GLY A 42 2.083 -11.432 1.695 1.00 0.00 N ATOM 658 CA GLY A 42 1.326 -12.424 0.965 1.00 0.00 C ATOM 659 C GLY A 42 1.293 -12.154 -0.528 1.00 0.00 C ATOM 660 O GLY A 42 1.031 -13.056 -1.321 1.00 0.00 O ATOM 0 H GLY A 42 2.994 -11.210 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.759 -13.408 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.306 -12.451 1.348 1.00 0.00 H new ATOM 664 N GLN A 43 1.560 -10.909 -0.911 1.00 0.00 N ATOM 665 CA GLN A 43 1.559 -10.526 -2.319 1.00 0.00 C ATOM 666 C GLN A 43 2.137 -9.126 -2.512 1.00 0.00 C ATOM 667 O GLN A 43 2.303 -8.372 -1.555 1.00 0.00 O ATOM 668 CB GLN A 43 0.138 -10.586 -2.884 1.00 0.00 C ATOM 669 CG GLN A 43 -0.872 -9.788 -2.078 1.00 0.00 C ATOM 670 CD GLN A 43 -2.185 -10.522 -1.898 1.00 0.00 C ATOM 671 OE1 GLN A 43 -2.917 -10.756 -2.859 1.00 0.00 O ATOM 672 NE2 GLN A 43 -2.489 -10.887 -0.659 1.00 0.00 N ATOM 0 H GLN A 43 1.780 -10.149 -0.267 1.00 0.00 H new ATOM 0 HA GLN A 43 2.190 -11.233 -2.858 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.148 -10.214 -3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.184 -11.627 -2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.451 -9.559 -1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.057 -8.836 -2.575 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.851 -10.671 0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.361 -11.383 -0.473 1.00 0.00 H new ATOM 681 N ILE A 44 2.453 -8.793 -3.761 1.00 0.00 N ATOM 682 CA ILE A 44 3.023 -7.496 -4.097 1.00 0.00 C ATOM 683 C ILE A 44 2.098 -6.714 -5.029 1.00 0.00 C ATOM 684 O ILE A 44 1.239 -7.294 -5.693 1.00 0.00 O ATOM 685 CB ILE A 44 4.415 -7.683 -4.743 1.00 0.00 C ATOM 686 CG1 ILE A 44 5.464 -7.789 -3.643 1.00 0.00 C ATOM 687 CG2 ILE A 44 4.759 -6.548 -5.703 1.00 0.00 C ATOM 688 CD1 ILE A 44 5.171 -8.874 -2.626 1.00 0.00 C ATOM 0 H ILE A 44 2.322 -9.411 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 44 3.134 -6.920 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 44 4.399 -8.600 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.436 -7.982 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.537 -6.831 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.745 -6.722 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.017 -6.509 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.760 -5.602 -5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.960 -8.890 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.214 -8.672 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.128 -9.841 -3.128 1.00 0.00 H new ATOM 700 N GLY A 45 2.276 -5.393 -5.073 1.00 0.00 N ATOM 701 CA GLY A 45 1.437 -4.573 -5.932 1.00 0.00 C ATOM 702 C GLY A 45 1.840 -3.108 -5.948 1.00 0.00 C ATOM 703 O GLY A 45 3.008 -2.773 -5.750 1.00 0.00 O ATOM 0 H GLY A 45 2.977 -4.882 -4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.478 -4.965 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.402 -4.654 -5.601 1.00 0.00 H new ATOM 707 N TRP A 46 0.861 -2.238 -6.191 1.00 0.00 N ATOM 708 CA TRP A 46 1.091 -0.799 -6.250 1.00 0.00 C ATOM 709 C TRP A 46 0.742 -0.143 -4.921 1.00 0.00 C ATOM 710 O TRP A 46 -0.331 -0.373 -4.364 1.00 0.00 O ATOM 711 CB TRP A 46 0.243 -0.177 -7.361 1.00 0.00 C ATOM 712 CG TRP A 46 0.433 1.301 -7.481 1.00 0.00 C ATOM 713 CD1 TRP A 46 1.505 1.936 -8.023 1.00 0.00 C ATOM 714 CD2 TRP A 46 -0.467 2.327 -7.045 1.00 0.00 C ATOM 715 NE1 TRP A 46 1.344 3.298 -7.939 1.00 0.00 N ATOM 716 CE2 TRP A 46 0.135 3.564 -7.349 1.00 0.00 C ATOM 717 CE3 TRP A 46 -1.719 2.322 -6.426 1.00 0.00 C ATOM 718 CZ2 TRP A 46 -0.475 4.780 -7.055 1.00 0.00 C ATOM 719 CZ3 TRP A 46 -2.324 3.530 -6.137 1.00 0.00 C ATOM 720 CH2 TRP A 46 -1.702 4.744 -6.451 1.00 0.00 C ATOM 0 H TRP A 46 -0.109 -2.511 -6.352 1.00 0.00 H new ATOM 0 HA TRP A 46 2.147 -0.632 -6.460 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.495 -0.649 -8.311 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.809 -0.388 -7.170 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.361 1.441 -8.458 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.014 3.996 -8.262 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.206 1.390 -6.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.003 5.718 -7.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.293 3.538 -5.661 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.201 5.671 -6.212 1.00 0.00 H new ATOM 731 N PHE A 47 1.663 0.668 -4.413 1.00 0.00 N ATOM 732 CA PHE A 47 1.457 1.343 -3.137 1.00 0.00 C ATOM 733 C PHE A 47 0.241 2.272 -3.178 1.00 0.00 C ATOM 734 O PHE A 47 0.231 3.270 -3.899 1.00 0.00 O ATOM 735 CB PHE A 47 2.720 2.114 -2.727 1.00 0.00 C ATOM 736 CG PHE A 47 2.831 3.499 -3.310 1.00 0.00 C ATOM 737 CD1 PHE A 47 2.785 3.696 -4.681 1.00 0.00 C ATOM 738 CD2 PHE A 47 2.983 4.600 -2.484 1.00 0.00 C ATOM 739 CE1 PHE A 47 2.889 4.967 -5.216 1.00 0.00 C ATOM 740 CE2 PHE A 47 3.088 5.872 -3.012 1.00 0.00 C ATOM 741 CZ PHE A 47 3.041 6.056 -4.380 1.00 0.00 C ATOM 0 H PHE A 47 2.555 0.873 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 47 1.257 0.579 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.746 2.189 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.595 1.537 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.667 2.848 -5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.020 4.462 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.851 5.108 -6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.207 6.722 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.123 7.050 -4.795 1.00 0.00 H new ATOM 751 N PRO A 48 -0.806 1.954 -2.396 1.00 0.00 N ATOM 752 CA PRO A 48 -2.020 2.755 -2.332 1.00 0.00 C ATOM 753 C PRO A 48 -1.934 3.824 -1.248 1.00 0.00 C ATOM 754 O PRO A 48 -2.841 3.961 -0.427 1.00 0.00 O ATOM 755 CB PRO A 48 -3.073 1.714 -1.974 1.00 0.00 C ATOM 756 CG PRO A 48 -2.351 0.730 -1.111 1.00 0.00 C ATOM 757 CD PRO A 48 -0.891 0.787 -1.500 1.00 0.00 C ATOM 0 HA PRO A 48 -2.224 3.299 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.912 2.165 -1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.478 1.237 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.479 0.975 -0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.749 -0.274 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.250 0.907 -0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.576 -0.127 -2.004 1.00 0.00 H new ATOM 765 N SER A 49 -0.826 4.564 -1.254 1.00 0.00 N ATOM 766 CA SER A 49 -0.567 5.625 -0.274 1.00 0.00 C ATOM 767 C SER A 49 -1.825 6.407 0.113 1.00 0.00 C ATOM 768 O SER A 49 -1.903 6.951 1.220 1.00 0.00 O ATOM 769 CB SER A 49 0.491 6.586 -0.815 1.00 0.00 C ATOM 770 OG SER A 49 1.655 6.570 -0.008 1.00 0.00 O ATOM 0 H SER A 49 -0.079 4.447 -1.939 1.00 0.00 H new ATOM 0 HA SER A 49 -0.207 5.135 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.750 6.309 -1.837 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.084 7.597 -0.852 1.00 0.00 H new ATOM 0 HG SER A 49 2.396 6.171 -0.510 1.00 0.00 H new ATOM 776 N ASN A 50 -2.807 6.460 -0.793 1.00 0.00 N ATOM 777 CA ASN A 50 -4.048 7.184 -0.549 1.00 0.00 C ATOM 778 C ASN A 50 -4.561 6.948 0.867 1.00 0.00 C ATOM 779 O ASN A 50 -5.205 7.817 1.456 1.00 0.00 O ATOM 780 CB ASN A 50 -5.096 6.758 -1.567 1.00 0.00 C ATOM 781 CG ASN A 50 -5.185 7.713 -2.732 1.00 0.00 C ATOM 782 OD1 ASN A 50 -4.533 7.524 -3.760 1.00 0.00 O ATOM 783 ND2 ASN A 50 -5.996 8.747 -2.580 1.00 0.00 N ATOM 0 H ASN A 50 -2.761 6.006 -1.705 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.849 8.250 -0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.857 5.760 -1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.068 6.693 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.101 9.428 -3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.517 8.863 -1.711 1.00 0.00 H new ATOM 790 N TYR A 51 -4.236 5.790 1.428 1.00 0.00 N ATOM 791 CA TYR A 51 -4.629 5.477 2.790 1.00 0.00 C ATOM 792 C TYR A 51 -3.697 4.423 3.370 1.00 0.00 C ATOM 793 O TYR A 51 -4.113 3.307 3.682 1.00 0.00 O ATOM 794 CB TYR A 51 -6.077 4.982 2.825 1.00 0.00 C ATOM 795 CG TYR A 51 -7.052 5.916 2.146 1.00 0.00 C ATOM 796 CD1 TYR A 51 -7.554 7.028 2.809 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.470 5.687 0.841 1.00 0.00 C ATOM 798 CE1 TYR A 51 -8.445 7.886 2.192 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.360 6.541 0.216 1.00 0.00 C ATOM 800 CZ TYR A 51 -8.844 7.637 0.896 1.00 0.00 C ATOM 801 OH TYR A 51 -9.731 8.490 0.278 1.00 0.00 O ATOM 0 H TYR A 51 -3.703 5.057 0.960 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.558 6.382 3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.130 4.004 2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.380 4.845 3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.243 7.226 3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.094 4.828 0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.826 8.746 2.722 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.674 6.350 -0.800 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.909 8.174 -0.632 1.00 0.00 H new ATOM 811 N VAL A 52 -2.429 4.795 3.517 1.00 0.00 N ATOM 812 CA VAL A 52 -1.426 3.895 4.068 1.00 0.00 C ATOM 813 C VAL A 52 -0.485 4.620 5.028 1.00 0.00 C ATOM 814 O VAL A 52 -0.398 5.849 5.017 1.00 0.00 O ATOM 815 CB VAL A 52 -0.605 3.211 2.950 1.00 0.00 C ATOM 816 CG1 VAL A 52 -1.453 3.048 1.701 1.00 0.00 C ATOM 817 CG2 VAL A 52 0.662 3.995 2.628 1.00 0.00 C ATOM 0 H VAL A 52 -2.073 5.716 3.261 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.965 3.129 4.625 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.306 2.227 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.864 2.565 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.324 2.434 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.781 4.028 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.214 3.486 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.395 4.998 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.284 4.063 3.520 1.00 0.00 H new ATOM 827 N LEU A 53 0.236 3.851 5.839 1.00 0.00 N ATOM 828 CA LEU A 53 1.187 4.417 6.778 1.00 0.00 C ATOM 829 C LEU A 53 2.550 3.768 6.584 1.00 0.00 C ATOM 830 O LEU A 53 2.700 2.573 6.793 1.00 0.00 O ATOM 831 CB LEU A 53 0.708 4.169 8.207 1.00 0.00 C ATOM 832 CG LEU A 53 0.340 5.407 9.031 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.141 6.629 8.595 1.00 0.00 C ATOM 834 CD2 LEU A 53 -1.153 5.668 8.924 1.00 0.00 C ATOM 0 H LEU A 53 0.176 2.833 5.861 1.00 0.00 H new ATOM 0 HA LEU A 53 1.267 5.490 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.164 3.516 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.489 3.625 8.739 1.00 0.00 H new ATOM 0 HG LEU A 53 0.593 5.214 10.074 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.853 7.488 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.205 6.432 8.726 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.938 6.842 7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.411 6.549 9.511 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.419 5.837 7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.701 4.806 9.303 1.00 0.00 H new ATOM 846 N GLU A 54 3.537 4.558 6.194 1.00 0.00 N ATOM 847 CA GLU A 54 4.882 4.042 5.977 1.00 0.00 C ATOM 848 C GLU A 54 5.835 4.466 7.089 1.00 0.00 C ATOM 849 O GLU A 54 5.960 5.652 7.396 1.00 0.00 O ATOM 850 CB GLU A 54 5.414 4.513 4.628 1.00 0.00 C ATOM 851 CG GLU A 54 6.751 3.902 4.259 1.00 0.00 C ATOM 852 CD GLU A 54 7.800 4.944 3.924 1.00 0.00 C ATOM 853 OE1 GLU A 54 7.654 5.620 2.884 1.00 0.00 O ATOM 854 OE2 GLU A 54 8.767 5.085 4.701 1.00 0.00 O ATOM 0 H GLU A 54 3.434 5.558 6.021 1.00 0.00 H new ATOM 0 HA GLU A 54 4.823 2.954 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.686 4.269 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.511 5.599 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.106 3.289 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.619 3.238 3.405 1.00 0.00 H new ATOM 861 N GLU A 55 6.514 3.491 7.682 1.00 0.00 N ATOM 862 CA GLU A 55 7.463 3.760 8.747 1.00 0.00 C ATOM 863 C GLU A 55 8.890 3.498 8.274 1.00 0.00 C ATOM 864 O GLU A 55 9.246 2.366 7.947 1.00 0.00 O ATOM 865 CB GLU A 55 7.147 2.890 9.962 1.00 0.00 C ATOM 866 CG GLU A 55 5.669 2.786 10.262 1.00 0.00 C ATOM 867 CD GLU A 55 5.354 2.958 11.735 1.00 0.00 C ATOM 868 OE1 GLU A 55 5.793 3.969 12.322 1.00 0.00 O ATOM 869 OE2 GLU A 55 4.669 2.081 12.302 1.00 0.00 O ATOM 0 H GLU A 55 6.422 2.505 7.440 1.00 0.00 H new ATOM 0 HA GLU A 55 7.379 4.810 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.547 1.890 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.659 3.298 10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.133 3.543 9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.303 1.815 9.928 1.00 0.00 H new ATOM 876 N VAL A 56 9.701 4.550 8.235 1.00 0.00 N ATOM 877 CA VAL A 56 11.083 4.432 7.797 1.00 0.00 C ATOM 878 C VAL A 56 11.973 3.893 8.912 1.00 0.00 C ATOM 879 O VAL A 56 12.662 4.655 9.592 1.00 0.00 O ATOM 880 CB VAL A 56 11.640 5.784 7.317 1.00 0.00 C ATOM 881 CG1 VAL A 56 13.008 5.603 6.678 1.00 0.00 C ATOM 882 CG2 VAL A 56 10.672 6.443 6.345 1.00 0.00 C ATOM 0 H VAL A 56 9.423 5.494 8.502 1.00 0.00 H new ATOM 0 HA VAL A 56 11.088 3.730 6.963 1.00 0.00 H new ATOM 0 HB VAL A 56 11.754 6.438 8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.385 6.570 6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.697 5.177 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.924 4.932 5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.081 7.398 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.525 5.794 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.716 6.610 6.841 1.00 0.00 H new ATOM 892 N ASP A 57 11.956 2.577 9.094 1.00 0.00 N ATOM 893 CA ASP A 57 12.762 1.940 10.127 1.00 0.00 C ATOM 894 C ASP A 57 14.248 2.052 9.802 1.00 0.00 C ATOM 895 O ASP A 57 14.986 2.651 10.611 1.00 0.00 O ATOM 896 CB ASP A 57 12.370 0.470 10.276 1.00 0.00 C ATOM 897 CG ASP A 57 12.953 -0.160 11.527 1.00 0.00 C ATOM 898 OD1 ASP A 57 12.719 0.381 12.628 1.00 0.00 O ATOM 899 OD2 ASP A 57 13.642 -1.194 11.404 1.00 0.00 O ATOM 900 OXT ASP A 57 14.662 1.539 8.740 1.00 0.00 O ATOM 0 H ASP A 57 11.393 1.932 8.540 1.00 0.00 H new ATOM 0 HA ASP A 57 12.574 2.455 11.069 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.283 0.388 10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.710 -0.084 9.401 1.00 0.00 H new