USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.847 USER MOD Single : A 12 THR OG1 : rot 9:sc= -1.05! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 72:sc= 1.08 USER MOD Single : A 34 ASN : amide:sc= -4.51! C(o=-4.5!,f=-14!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 19:sc= 0.652 USER MOD Single : A 42 ASN : amide:sc= -4.22! K(o=-4.2!,f=-1.1) USER MOD Single : A 43 HIS : no HD1:sc= -18.6! C(o=-19!,f=-16!) USER MOD Single : A 44 SER OG : rot 42:sc= 0.134 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.051 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.75!) USER MOD Single : A 61 TYR OH : rot -30:sc= -0.019 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -18:sc= 0.756 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 14.752 12.868 -7.092 1.00 0.00 N ATOM 2 CA ASN A 1 15.179 11.440 -7.022 1.00 0.00 C ATOM 3 C ASN A 1 14.043 10.574 -6.472 1.00 0.00 C ATOM 4 O ASN A 1 13.815 10.531 -5.280 1.00 0.00 O ATOM 5 CB ASN A 1 16.373 11.432 -6.065 1.00 0.00 C ATOM 6 CG ASN A 1 17.264 10.227 -6.372 1.00 0.00 C ATOM 7 OD1 ASN A 1 17.288 9.269 -5.626 1.00 0.00 O ATOM 8 ND2 ASN A 1 18.003 10.235 -7.449 1.00 0.00 N ATOM 0 H1 ASN A 1 15.532 13.445 -7.467 1.00 0.00 H new ATOM 0 H2 ASN A 1 13.926 12.953 -7.718 1.00 0.00 H new ATOM 0 H3 ASN A 1 14.500 13.202 -6.140 1.00 0.00 H new ATOM 0 HA ASN A 1 15.438 11.037 -8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 1 16.943 12.355 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 1 16.025 11.387 -5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 1 18.600 9.437 -7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 1 17.983 11.040 -8.075 1.00 0.00 H new ATOM 17 N PRO A 2 13.367 9.911 -7.370 1.00 0.00 N ATOM 18 CA PRO A 2 12.238 9.032 -6.980 1.00 0.00 C ATOM 19 C PRO A 2 12.758 7.750 -6.322 1.00 0.00 C ATOM 20 O PRO A 2 13.689 7.130 -6.797 1.00 0.00 O ATOM 21 CB PRO A 2 11.551 8.722 -8.307 1.00 0.00 C ATOM 22 CG PRO A 2 12.615 8.894 -9.345 1.00 0.00 C ATOM 23 CD PRO A 2 13.588 9.917 -8.820 1.00 0.00 C ATOM 0 HA PRO A 2 11.567 9.493 -6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.151 7.708 -8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.714 9.397 -8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.119 7.948 -9.539 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.182 9.224 -10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.616 9.653 -9.067 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.400 10.902 -9.248 1.00 0.00 H new ATOM 31 N LEU A 3 12.162 7.348 -5.232 1.00 0.00 N ATOM 32 CA LEU A 3 12.621 6.106 -4.545 1.00 0.00 C ATOM 33 C LEU A 3 11.432 5.396 -3.890 1.00 0.00 C ATOM 34 O LEU A 3 10.289 5.747 -4.112 1.00 0.00 O ATOM 35 CB LEU A 3 13.612 6.584 -3.484 1.00 0.00 C ATOM 36 CG LEU A 3 15.016 6.087 -3.836 1.00 0.00 C ATOM 37 CD1 LEU A 3 16.055 6.903 -3.065 1.00 0.00 C ATOM 38 CD2 LEU A 3 15.143 4.611 -3.455 1.00 0.00 C ATOM 0 H LEU A 3 11.378 7.825 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 3 13.075 5.395 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.604 7.672 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.318 6.212 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 3 15.185 6.203 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.055 6.549 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.964 7.955 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.887 6.787 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.143 4.255 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.974 4.496 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.403 4.029 -4.004 1.00 0.00 H new ATOM 50 N ILE A 4 11.690 4.401 -3.087 1.00 0.00 N ATOM 51 CA ILE A 4 10.572 3.672 -2.422 1.00 0.00 C ATOM 52 C ILE A 4 9.555 4.669 -1.859 1.00 0.00 C ATOM 53 O ILE A 4 9.915 5.733 -1.398 1.00 0.00 O ATOM 54 CB ILE A 4 11.235 2.872 -1.290 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.719 1.528 -1.840 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.229 2.622 -0.156 1.00 0.00 C ATOM 57 CD1 ILE A 4 10.514 0.636 -2.145 1.00 0.00 C ATOM 0 H ILE A 4 12.625 4.061 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 4 10.031 3.024 -3.111 1.00 0.00 H new ATOM 0 HB ILE A 4 12.078 3.441 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 4 12.307 1.684 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.371 1.040 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.711 2.054 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.881 3.577 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.380 2.058 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.859 -0.321 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.944 0.470 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.879 1.123 -2.885 1.00 0.00 H new ATOM 69 N PRO A 5 8.314 4.273 -1.904 1.00 0.00 N ATOM 70 CA PRO A 5 7.226 5.127 -1.377 1.00 0.00 C ATOM 71 C PRO A 5 7.265 5.135 0.153 1.00 0.00 C ATOM 72 O PRO A 5 8.271 4.827 0.761 1.00 0.00 O ATOM 73 CB PRO A 5 5.957 4.444 -1.884 1.00 0.00 C ATOM 74 CG PRO A 5 6.346 3.016 -2.094 1.00 0.00 C ATOM 75 CD PRO A 5 7.810 3.006 -2.449 1.00 0.00 C ATOM 0 HA PRO A 5 7.298 6.167 -1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.146 4.530 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.607 4.899 -2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.164 2.430 -1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.753 2.568 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.322 2.150 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.959 2.947 -3.527 1.00 0.00 H new ATOM 83 N ALA A 6 6.176 5.477 0.776 1.00 0.00 N ATOM 84 CA ALA A 6 6.138 5.499 2.259 1.00 0.00 C ATOM 85 C ALA A 6 5.095 4.504 2.767 1.00 0.00 C ATOM 86 O ALA A 6 5.147 4.055 3.895 1.00 0.00 O ATOM 87 CB ALA A 6 5.749 6.931 2.631 1.00 0.00 C ATOM 0 H ALA A 6 5.305 5.744 0.317 1.00 0.00 H new ATOM 0 HA ALA A 6 7.092 5.216 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.701 7.025 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.494 7.624 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.775 7.166 2.203 1.00 0.00 H new ATOM 93 N ILE A 7 4.149 4.158 1.941 1.00 0.00 N ATOM 94 CA ILE A 7 3.102 3.189 2.369 1.00 0.00 C ATOM 95 C ILE A 7 3.746 1.889 2.858 1.00 0.00 C ATOM 96 O ILE A 7 3.458 1.410 3.937 1.00 0.00 O ATOM 97 CB ILE A 7 2.247 2.930 1.122 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.296 1.749 1.402 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.151 2.615 -0.085 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.995 0.980 0.113 1.00 0.00 C ATOM 0 H ILE A 7 4.055 4.505 0.986 1.00 0.00 H new ATOM 0 HA ILE A 7 2.504 3.577 3.194 1.00 0.00 H new ATOM 0 HB ILE A 7 1.662 3.819 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.746 1.079 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.367 2.119 1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.533 2.433 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.812 3.460 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.748 1.728 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.322 0.151 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.524 1.648 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.924 0.593 -0.305 1.00 0.00 H new ATOM 112 N TYR A 8 4.608 1.310 2.072 1.00 0.00 N ATOM 113 CA TYR A 8 5.260 0.039 2.486 1.00 0.00 C ATOM 114 C TYR A 8 5.746 0.151 3.927 1.00 0.00 C ATOM 115 O TYR A 8 5.861 -0.833 4.630 1.00 0.00 O ATOM 116 CB TYR A 8 6.430 -0.141 1.518 1.00 0.00 C ATOM 117 CG TYR A 8 5.899 -0.308 0.110 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.670 -0.947 -0.110 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.636 0.179 -0.976 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.182 -1.096 -1.412 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.146 0.027 -2.279 1.00 0.00 C ATOM 122 CZ TYR A 8 4.919 -0.610 -2.497 1.00 0.00 C ATOM 123 OH TYR A 8 4.436 -0.758 -3.781 1.00 0.00 O ATOM 0 H TYR A 8 4.890 1.664 1.158 1.00 0.00 H new ATOM 0 HA TYR A 8 4.581 -0.813 2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.093 0.722 1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.020 -1.013 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.100 -1.324 0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.582 0.672 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.235 -1.587 -1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.716 0.402 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 8 5.070 -0.364 -4.416 1.00 0.00 H new ATOM 133 N ILE A 9 6.019 1.341 4.380 1.00 0.00 N ATOM 134 CA ILE A 9 6.477 1.498 5.788 1.00 0.00 C ATOM 135 C ILE A 9 5.384 0.998 6.730 1.00 0.00 C ATOM 136 O ILE A 9 4.241 1.399 6.637 1.00 0.00 O ATOM 137 CB ILE A 9 6.714 2.997 5.973 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.745 3.481 4.951 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.238 3.261 7.386 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.073 4.953 5.213 1.00 0.00 C ATOM 0 H ILE A 9 5.946 2.205 3.843 1.00 0.00 H new ATOM 0 HA ILE A 9 7.381 0.928 6.004 1.00 0.00 H new ATOM 0 HB ILE A 9 5.776 3.532 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.651 2.878 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.356 3.359 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.407 4.330 7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.505 2.917 8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.176 2.725 7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.807 5.297 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.165 5.550 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.480 5.062 6.218 1.00 0.00 H new ATOM 152 N GLY A 10 5.717 0.108 7.623 1.00 0.00 N ATOM 153 CA GLY A 10 4.680 -0.428 8.544 1.00 0.00 C ATOM 154 C GLY A 10 3.573 -1.051 7.698 1.00 0.00 C ATOM 155 O GLY A 10 2.410 -1.014 8.048 1.00 0.00 O ATOM 0 H GLY A 10 6.656 -0.268 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.113 -1.172 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.278 0.369 9.170 1.00 0.00 H new ATOM 159 N ALA A 11 3.933 -1.608 6.573 1.00 0.00 N ATOM 160 CA ALA A 11 2.904 -2.225 5.680 1.00 0.00 C ATOM 161 C ALA A 11 3.085 -3.743 5.607 1.00 0.00 C ATOM 162 O ALA A 11 3.741 -4.339 6.438 1.00 0.00 O ATOM 163 CB ALA A 11 3.145 -1.593 4.309 1.00 0.00 C ATOM 0 H ALA A 11 4.893 -1.664 6.232 1.00 0.00 H new ATOM 0 HA ALA A 11 1.892 -2.051 6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.428 -1.994 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.022 -0.512 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.157 -1.822 3.976 1.00 0.00 H new ATOM 169 N THR A 12 2.505 -4.376 4.618 1.00 0.00 N ATOM 170 CA THR A 12 2.649 -5.859 4.502 1.00 0.00 C ATOM 171 C THR A 12 2.407 -6.299 3.059 1.00 0.00 C ATOM 172 O THR A 12 1.286 -6.475 2.643 1.00 0.00 O ATOM 173 CB THR A 12 1.569 -6.438 5.421 1.00 0.00 C ATOM 174 OG1 THR A 12 1.997 -6.341 6.772 1.00 0.00 O ATOM 175 CG2 THR A 12 1.321 -7.907 5.064 1.00 0.00 C ATOM 0 H THR A 12 1.942 -3.934 3.891 1.00 0.00 H new ATOM 0 HA THR A 12 3.647 -6.198 4.779 1.00 0.00 H new ATOM 0 HB THR A 12 0.644 -5.876 5.292 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.813 -5.800 6.819 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.552 -8.316 5.720 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.990 -7.979 4.028 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.244 -8.473 5.190 1.00 0.00 H new ATOM 183 N VAL A 13 3.443 -6.484 2.293 1.00 0.00 N ATOM 184 CA VAL A 13 3.248 -6.914 0.879 1.00 0.00 C ATOM 185 C VAL A 13 3.366 -8.438 0.768 1.00 0.00 C ATOM 186 O VAL A 13 3.683 -9.117 1.725 1.00 0.00 O ATOM 187 CB VAL A 13 4.372 -6.231 0.093 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.469 -4.758 0.500 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.700 -6.927 0.397 1.00 0.00 C ATOM 0 H VAL A 13 4.413 -6.357 2.581 1.00 0.00 H new ATOM 0 HA VAL A 13 2.263 -6.642 0.499 1.00 0.00 H new ATOM 0 HB VAL A 13 4.156 -6.298 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.270 -4.277 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.524 -4.258 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.682 -4.689 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.501 -6.442 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.910 -6.860 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.637 -7.975 0.105 1.00 0.00 H new ATOM 199 N GLY A 14 3.114 -8.977 -0.392 1.00 0.00 N ATOM 200 CA GLY A 14 3.211 -10.455 -0.566 1.00 0.00 C ATOM 201 C GLY A 14 4.656 -10.838 -0.889 1.00 0.00 C ATOM 202 O GLY A 14 5.567 -10.063 -0.674 1.00 0.00 O ATOM 0 H GLY A 14 2.845 -8.459 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.884 -10.961 0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.549 -10.781 -1.368 1.00 0.00 H new ATOM 206 N PRO A 15 4.815 -12.030 -1.397 1.00 0.00 N ATOM 207 CA PRO A 15 6.164 -12.531 -1.758 1.00 0.00 C ATOM 208 C PRO A 15 6.664 -11.853 -3.037 1.00 0.00 C ATOM 209 O PRO A 15 7.757 -11.324 -3.083 1.00 0.00 O ATOM 210 CB PRO A 15 5.940 -14.023 -1.986 1.00 0.00 C ATOM 211 CG PRO A 15 4.495 -14.149 -2.349 1.00 0.00 C ATOM 212 CD PRO A 15 3.765 -13.012 -1.680 1.00 0.00 C ATOM 0 HA PRO A 15 6.915 -12.328 -0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.581 -14.401 -2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.173 -14.598 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.365 -14.106 -3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.098 -15.109 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.995 -12.596 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.269 -13.340 -0.766 1.00 0.00 H new ATOM 220 N SER A 16 5.873 -11.865 -4.074 1.00 0.00 N ATOM 221 CA SER A 16 6.305 -11.222 -5.349 1.00 0.00 C ATOM 222 C SER A 16 6.565 -9.729 -5.128 1.00 0.00 C ATOM 223 O SER A 16 7.594 -9.204 -5.505 1.00 0.00 O ATOM 224 CB SER A 16 5.136 -11.426 -6.311 1.00 0.00 C ATOM 225 OG SER A 16 5.629 -11.921 -7.549 1.00 0.00 O ATOM 0 H SER A 16 4.947 -12.292 -4.095 1.00 0.00 H new ATOM 0 HA SER A 16 7.230 -11.651 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.418 -12.127 -5.886 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.609 -10.485 -6.466 1.00 0.00 H new ATOM 0 HG SER A 16 4.882 -12.055 -8.169 1.00 0.00 H new ATOM 231 N VAL A 17 5.640 -9.040 -4.517 1.00 0.00 N ATOM 232 CA VAL A 17 5.838 -7.583 -4.271 1.00 0.00 C ATOM 233 C VAL A 17 7.096 -7.361 -3.432 1.00 0.00 C ATOM 234 O VAL A 17 7.926 -6.532 -3.747 1.00 0.00 O ATOM 235 CB VAL A 17 4.593 -7.137 -3.504 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.659 -5.630 -3.254 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.344 -7.462 -4.328 1.00 0.00 C ATOM 0 H VAL A 17 4.757 -9.422 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 17 5.967 -7.019 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 17 4.547 -7.662 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.771 -5.313 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.548 -5.397 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.705 -5.105 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.455 -7.145 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.391 -6.937 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.295 -8.536 -4.507 1.00 0.00 H new ATOM 247 N TRP A 18 7.247 -8.102 -2.369 1.00 0.00 N ATOM 248 CA TRP A 18 8.459 -7.936 -1.516 1.00 0.00 C ATOM 249 C TRP A 18 9.715 -8.014 -2.381 1.00 0.00 C ATOM 250 O TRP A 18 10.514 -7.100 -2.421 1.00 0.00 O ATOM 251 CB TRP A 18 8.414 -9.107 -0.537 1.00 0.00 C ATOM 252 CG TRP A 18 9.504 -8.953 0.476 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.826 -9.091 0.222 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.390 -8.637 1.892 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.530 -8.879 1.393 1.00 0.00 N ATOM 256 CE2 TRP A 18 10.689 -8.596 2.451 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.295 -8.383 2.738 1.00 0.00 C ATOM 258 CZ2 TRP A 18 10.894 -8.315 3.802 1.00 0.00 C ATOM 259 CZ3 TRP A 18 8.499 -8.100 4.098 1.00 0.00 C ATOM 260 CH2 TRP A 18 9.796 -8.065 4.628 1.00 0.00 C ATOM 0 H TRP A 18 6.587 -8.813 -2.054 1.00 0.00 H new ATOM 0 HA TRP A 18 8.479 -6.975 -1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.444 -9.143 -0.041 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.532 -10.048 -1.074 1.00 0.00 H new ATOM 0 HD1 TRP A 18 11.260 -9.328 -0.738 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.546 -8.926 1.466 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.292 -8.406 2.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 11.895 -8.291 4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.652 -7.908 4.739 1.00 0.00 H new ATOM 0 HH2 TRP A 18 9.946 -7.845 5.675 1.00 0.00 H new ATOM 271 N ALA A 19 9.892 -9.103 -3.076 1.00 0.00 N ATOM 272 CA ALA A 19 11.095 -9.249 -3.945 1.00 0.00 C ATOM 273 C ALA A 19 11.306 -7.978 -4.770 1.00 0.00 C ATOM 274 O ALA A 19 12.418 -7.528 -4.962 1.00 0.00 O ATOM 275 CB ALA A 19 10.787 -10.438 -4.854 1.00 0.00 C ATOM 0 H ALA A 19 9.255 -9.900 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 19 12.006 -9.407 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.628 -10.610 -5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.621 -11.327 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.892 -10.226 -5.439 1.00 0.00 H new ATOM 281 N TYR A 20 10.247 -7.396 -5.258 1.00 0.00 N ATOM 282 CA TYR A 20 10.389 -6.152 -6.068 1.00 0.00 C ATOM 283 C TYR A 20 11.036 -5.051 -5.226 1.00 0.00 C ATOM 284 O TYR A 20 12.072 -4.517 -5.569 1.00 0.00 O ATOM 285 CB TYR A 20 8.962 -5.760 -6.448 1.00 0.00 C ATOM 286 CG TYR A 20 9.001 -4.638 -7.459 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.175 -3.317 -7.030 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.863 -4.920 -8.824 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.212 -2.277 -7.967 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.900 -3.879 -9.760 1.00 0.00 C ATOM 291 CZ TYR A 20 9.075 -2.558 -9.331 1.00 0.00 C ATOM 292 OH TYR A 20 9.113 -1.532 -10.254 1.00 0.00 O ATOM 0 H TYR A 20 9.290 -7.726 -5.132 1.00 0.00 H new ATOM 0 HA TYR A 20 11.019 -6.300 -6.945 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.435 -6.620 -6.863 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.411 -5.446 -5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.281 -3.100 -5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.728 -5.939 -9.154 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.346 -1.258 -7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.794 -4.095 -10.813 1.00 0.00 H new ATOM 0 HH TYR A 20 9.004 -1.899 -11.156 1.00 0.00 H new ATOM 302 N LEU A 21 10.428 -4.711 -4.124 1.00 0.00 N ATOM 303 CA LEU A 21 11.000 -3.649 -3.251 1.00 0.00 C ATOM 304 C LEU A 21 12.474 -3.945 -2.958 1.00 0.00 C ATOM 305 O LEU A 21 13.284 -3.048 -2.838 1.00 0.00 O ATOM 306 CB LEU A 21 10.170 -3.713 -1.970 1.00 0.00 C ATOM 307 CG LEU A 21 10.182 -2.348 -1.278 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.432 -2.446 0.051 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.629 -1.922 -1.018 1.00 0.00 C ATOM 0 H LEU A 21 9.557 -5.124 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 21 10.964 -2.662 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.146 -4.004 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.573 -4.474 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 21 9.696 -1.611 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.439 -1.475 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.402 -2.751 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.919 -3.182 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.639 -0.950 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.116 -2.658 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.164 -1.854 -1.965 1.00 0.00 H new ATOM 321 N VAL A 22 12.827 -5.197 -2.848 1.00 0.00 N ATOM 322 CA VAL A 22 14.250 -5.545 -2.569 1.00 0.00 C ATOM 323 C VAL A 22 15.132 -5.090 -3.731 1.00 0.00 C ATOM 324 O VAL A 22 16.153 -4.462 -3.541 1.00 0.00 O ATOM 325 CB VAL A 22 14.270 -7.068 -2.439 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.709 -7.574 -2.555 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.700 -7.469 -1.076 1.00 0.00 C ATOM 0 H VAL A 22 12.194 -5.992 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 22 14.630 -5.060 -1.670 1.00 0.00 H new ATOM 0 HB VAL A 22 13.666 -7.507 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.721 -8.660 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.118 -7.288 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.314 -7.135 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.713 -8.555 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.306 -7.028 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.674 -7.110 -0.991 1.00 0.00 H new ATOM 337 N ALA A 23 14.738 -5.400 -4.932 1.00 0.00 N ATOM 338 CA ALA A 23 15.546 -4.982 -6.111 1.00 0.00 C ATOM 339 C ALA A 23 15.777 -3.470 -6.072 1.00 0.00 C ATOM 340 O ALA A 23 16.853 -2.989 -6.366 1.00 0.00 O ATOM 341 CB ALA A 23 14.703 -5.367 -7.327 1.00 0.00 C ATOM 0 H ALA A 23 13.891 -5.925 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 23 16.527 -5.456 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.232 -5.090 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.527 -6.443 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.748 -4.843 -7.288 1.00 0.00 H new ATOM 347 N LEU A 24 14.774 -2.720 -5.706 1.00 0.00 N ATOM 348 CA LEU A 24 14.933 -1.242 -5.642 1.00 0.00 C ATOM 349 C LEU A 24 15.980 -0.873 -4.588 1.00 0.00 C ATOM 350 O LEU A 24 16.781 0.020 -4.778 1.00 0.00 O ATOM 351 CB LEU A 24 13.555 -0.719 -5.241 1.00 0.00 C ATOM 352 CG LEU A 24 13.344 0.675 -5.836 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.545 0.619 -7.351 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.921 1.145 -5.528 1.00 0.00 C ATOM 0 H LEU A 24 13.851 -3.069 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 24 15.271 -0.816 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.780 -1.398 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.472 -0.679 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 24 14.062 1.371 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.395 1.612 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.557 0.280 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.827 -0.075 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.766 2.138 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.205 0.449 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.776 1.183 -4.448 1.00 0.00 H new ATOM 366 N VAL A 25 15.978 -1.558 -3.477 1.00 0.00 N ATOM 367 CA VAL A 25 16.974 -1.253 -2.407 1.00 0.00 C ATOM 368 C VAL A 25 17.623 -2.553 -1.907 1.00 0.00 C ATOM 369 O VAL A 25 18.655 -2.966 -2.398 1.00 0.00 O ATOM 370 CB VAL A 25 16.175 -0.556 -1.290 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.773 -1.164 -1.174 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.906 -0.711 0.045 1.00 0.00 C ATOM 0 H VAL A 25 15.330 -2.316 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 25 17.785 -0.618 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 25 16.084 0.501 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.222 -0.660 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.243 -1.040 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.855 -2.226 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.336 -0.216 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 25 17.009 -1.770 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.895 -0.258 -0.027 1.00 0.00 H new ATOM 382 N GLY A 26 17.035 -3.197 -0.935 1.00 0.00 N ATOM 383 CA GLY A 26 17.625 -4.460 -0.410 1.00 0.00 C ATOM 384 C GLY A 26 16.851 -4.902 0.832 1.00 0.00 C ATOM 385 O GLY A 26 16.079 -4.152 1.393 1.00 0.00 O ATOM 0 H GLY A 26 16.170 -2.902 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.586 -5.238 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.676 -4.309 -0.163 1.00 0.00 H new ATOM 389 N ALA A 27 17.048 -6.117 1.264 1.00 0.00 N ATOM 390 CA ALA A 27 16.318 -6.607 2.466 1.00 0.00 C ATOM 391 C ALA A 27 16.705 -5.785 3.699 1.00 0.00 C ATOM 392 O ALA A 27 15.989 -5.753 4.682 1.00 0.00 O ATOM 393 CB ALA A 27 16.758 -8.061 2.631 1.00 0.00 C ATOM 0 H ALA A 27 17.683 -6.791 0.836 1.00 0.00 H new ATOM 0 HA ALA A 27 15.237 -6.517 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.262 -8.495 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.488 -8.626 1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 27 17.838 -8.100 2.773 1.00 0.00 H new ATOM 399 N ALA A 28 17.826 -5.120 3.660 1.00 0.00 N ATOM 400 CA ALA A 28 18.246 -4.306 4.832 1.00 0.00 C ATOM 401 C ALA A 28 17.338 -3.086 4.971 1.00 0.00 C ATOM 402 O ALA A 28 16.647 -2.923 5.956 1.00 0.00 O ATOM 403 CB ALA A 28 19.683 -3.881 4.530 1.00 0.00 C ATOM 0 H ALA A 28 18.468 -5.106 2.868 1.00 0.00 H new ATOM 0 HA ALA A 28 18.180 -4.860 5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.064 -3.275 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.307 -4.767 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.704 -3.298 3.609 1.00 0.00 H new ATOM 409 N ALA A 29 17.323 -2.232 3.986 1.00 0.00 N ATOM 410 CA ALA A 29 16.447 -1.031 4.066 1.00 0.00 C ATOM 411 C ALA A 29 14.986 -1.474 4.125 1.00 0.00 C ATOM 412 O ALA A 29 14.142 -0.806 4.692 1.00 0.00 O ATOM 413 CB ALA A 29 16.718 -0.247 2.782 1.00 0.00 C ATOM 0 H ALA A 29 17.877 -2.313 3.133 1.00 0.00 H new ATOM 0 HA ALA A 29 16.644 -0.427 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.106 0.655 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.772 0.029 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.470 -0.865 1.919 1.00 0.00 H new ATOM 419 N VAL A 30 14.683 -2.604 3.546 1.00 0.00 N ATOM 420 CA VAL A 30 13.281 -3.099 3.571 1.00 0.00 C ATOM 421 C VAL A 30 12.911 -3.540 4.990 1.00 0.00 C ATOM 422 O VAL A 30 11.773 -3.447 5.403 1.00 0.00 O ATOM 423 CB VAL A 30 13.263 -4.293 2.617 1.00 0.00 C ATOM 424 CG1 VAL A 30 11.978 -5.096 2.828 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.317 -3.790 1.173 1.00 0.00 C ATOM 0 H VAL A 30 15.347 -3.204 3.057 1.00 0.00 H new ATOM 0 HA VAL A 30 12.564 -2.333 3.274 1.00 0.00 H new ATOM 0 HB VAL A 30 14.126 -4.929 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.965 -5.947 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.937 -5.453 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.115 -4.460 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.304 -4.640 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.454 -3.154 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.232 -3.217 1.021 1.00 0.00 H new ATOM 435 N THR A 31 13.869 -4.017 5.741 1.00 0.00 N ATOM 436 CA THR A 31 13.574 -4.460 7.132 1.00 0.00 C ATOM 437 C THR A 31 13.423 -3.244 8.050 1.00 0.00 C ATOM 438 O THR A 31 12.614 -3.235 8.957 1.00 0.00 O ATOM 439 CB THR A 31 14.785 -5.298 7.547 1.00 0.00 C ATOM 440 OG1 THR A 31 14.832 -6.479 6.758 1.00 0.00 O ATOM 441 CG2 THR A 31 14.666 -5.674 9.024 1.00 0.00 C ATOM 0 H THR A 31 14.841 -4.118 5.450 1.00 0.00 H new ATOM 0 HA THR A 31 12.645 -5.027 7.198 1.00 0.00 H new ATOM 0 HB THR A 31 15.697 -4.721 7.395 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.098 -6.251 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.529 -6.271 9.318 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.629 -4.768 9.628 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.755 -6.252 9.180 1.00 0.00 H new ATOM 449 N ALA A 32 14.194 -2.217 7.820 1.00 0.00 N ATOM 450 CA ALA A 32 14.091 -1.002 8.677 1.00 0.00 C ATOM 451 C ALA A 32 12.787 -0.258 8.383 1.00 0.00 C ATOM 452 O ALA A 32 12.247 0.429 9.227 1.00 0.00 O ATOM 453 CB ALA A 32 15.297 -0.143 8.295 1.00 0.00 C ATOM 0 H ALA A 32 14.890 -2.166 7.076 1.00 0.00 H new ATOM 0 HA ALA A 32 14.085 -1.245 9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.292 0.774 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.215 -0.697 8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.244 0.107 7.235 1.00 0.00 H new ATOM 459 N ALA A 33 12.277 -0.390 7.189 1.00 0.00 N ATOM 460 CA ALA A 33 11.007 0.310 6.840 1.00 0.00 C ATOM 461 C ALA A 33 9.808 -0.445 7.420 1.00 0.00 C ATOM 462 O ALA A 33 8.672 -0.093 7.187 1.00 0.00 O ATOM 463 CB ALA A 33 10.957 0.302 5.312 1.00 0.00 C ATOM 0 H ALA A 33 12.684 -0.951 6.441 1.00 0.00 H new ATOM 0 HA ALA A 33 10.970 1.322 7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.048 0.801 4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.827 0.827 4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.960 -0.727 4.953 1.00 0.00 H new ATOM 469 N ASN A 34 10.050 -1.479 8.176 1.00 0.00 N ATOM 470 CA ASN A 34 8.919 -2.252 8.769 1.00 0.00 C ATOM 471 C ASN A 34 7.994 -2.780 7.665 1.00 0.00 C ATOM 472 O ASN A 34 6.899 -2.286 7.456 1.00 0.00 O ATOM 473 CB ASN A 34 8.184 -1.257 9.668 1.00 0.00 C ATOM 474 CG ASN A 34 6.999 -1.954 10.338 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.466 -2.912 9.812 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.561 -1.514 11.485 1.00 0.00 N ATOM 0 H ASN A 34 10.981 -1.824 8.410 1.00 0.00 H new ATOM 0 HA ASN A 34 9.263 -3.122 9.328 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.863 -0.863 10.424 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.835 -0.408 9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.772 -1.973 11.940 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.007 -0.710 11.927 1.00 0.00 H new ATOM 483 N ILE A 35 8.429 -3.789 6.961 1.00 0.00 N ATOM 484 CA ILE A 35 7.588 -4.369 5.877 1.00 0.00 C ATOM 485 C ILE A 35 7.352 -5.856 6.151 1.00 0.00 C ATOM 486 O ILE A 35 8.283 -6.628 6.269 1.00 0.00 O ATOM 487 CB ILE A 35 8.403 -4.180 4.597 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.395 -2.700 4.202 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.787 -5.010 3.469 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.567 -2.417 3.260 1.00 0.00 C ATOM 0 H ILE A 35 9.335 -4.238 7.091 1.00 0.00 H new ATOM 0 HA ILE A 35 6.610 -3.893 5.805 1.00 0.00 H new ATOM 0 HB ILE A 35 9.428 -4.507 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.453 -2.448 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.470 -2.075 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.369 -4.874 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.791 -6.064 3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.761 -4.685 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.562 -1.364 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.504 -2.653 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.471 -3.032 2.365 1.00 0.00 H new ATOM 502 N ARG A 36 6.118 -6.263 6.261 1.00 0.00 N ATOM 503 CA ARG A 36 5.834 -7.701 6.537 1.00 0.00 C ATOM 504 C ARG A 36 5.423 -8.419 5.249 1.00 0.00 C ATOM 505 O ARG A 36 4.854 -7.831 4.351 1.00 0.00 O ATOM 506 CB ARG A 36 4.677 -7.693 7.539 1.00 0.00 C ATOM 507 CG ARG A 36 4.941 -6.642 8.621 1.00 0.00 C ATOM 508 CD ARG A 36 4.794 -7.283 10.003 1.00 0.00 C ATOM 509 NE ARG A 36 4.879 -6.149 10.963 1.00 0.00 N ATOM 510 CZ ARG A 36 3.925 -5.259 11.011 1.00 0.00 C ATOM 511 NH1 ARG A 36 3.944 -4.238 10.199 1.00 0.00 N ATOM 512 NH2 ARG A 36 2.953 -5.392 11.871 1.00 0.00 N ATOM 0 H ARG A 36 5.296 -5.666 6.172 1.00 0.00 H new ATOM 0 HA ARG A 36 6.707 -8.225 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.740 -7.474 7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.569 -8.678 7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.943 -6.229 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.241 -5.813 8.517 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.843 -7.808 10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.581 -8.014 10.185 1.00 0.00 H new ATOM 0 HE ARG A 36 5.684 -6.067 11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.704 -4.135 9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.199 -3.543 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.939 -6.191 12.505 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.207 -4.697 11.909 1.00 0.00 H new ATOM 526 N ARG A 37 5.709 -9.690 5.155 1.00 0.00 N ATOM 527 CA ARG A 37 5.337 -10.451 3.928 1.00 0.00 C ATOM 528 C ARG A 37 3.946 -11.066 4.093 1.00 0.00 C ATOM 529 O ARG A 37 3.456 -11.232 5.193 1.00 0.00 O ATOM 530 CB ARG A 37 6.396 -11.547 3.804 1.00 0.00 C ATOM 531 CG ARG A 37 7.382 -11.182 2.693 1.00 0.00 C ATOM 532 CD ARG A 37 7.836 -12.455 1.974 1.00 0.00 C ATOM 533 NE ARG A 37 9.039 -12.046 1.197 1.00 0.00 N ATOM 534 CZ ARG A 37 10.139 -12.741 1.282 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.147 -13.997 0.926 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.232 -12.181 1.725 1.00 0.00 N ATOM 0 H ARG A 37 6.184 -10.234 5.875 1.00 0.00 H new ATOM 0 HA ARG A 37 5.303 -9.817 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.925 -11.665 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.921 -12.503 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.912 -10.500 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.243 -10.662 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.074 -13.247 2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.054 -12.839 1.319 1.00 0.00 H new ATOM 0 HE ARG A 37 9.002 -11.221 0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.293 -14.435 0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.008 -14.540 0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.225 -11.200 2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.093 -12.724 1.792 1.00 0.00 H new ATOM 550 N ALA A 38 3.306 -11.405 3.010 1.00 0.00 N ATOM 551 CA ALA A 38 1.947 -12.010 3.106 1.00 0.00 C ATOM 552 C ALA A 38 1.852 -13.239 2.197 1.00 0.00 C ATOM 553 O ALA A 38 2.519 -13.327 1.186 1.00 0.00 O ATOM 554 CB ALA A 38 0.995 -10.912 2.632 1.00 0.00 C ATOM 0 H ALA A 38 3.664 -11.290 2.062 1.00 0.00 H new ATOM 0 HA ALA A 38 1.710 -12.346 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.031 -11.278 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.095 -10.040 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.241 -10.634 1.607 1.00 0.00 H new ATOM 560 N SER A 39 1.027 -14.188 2.550 1.00 0.00 N ATOM 561 CA SER A 39 0.894 -15.409 1.703 1.00 0.00 C ATOM 562 C SER A 39 0.843 -15.021 0.223 1.00 0.00 C ATOM 563 O SER A 39 1.215 -15.788 -0.644 1.00 0.00 O ATOM 564 CB SER A 39 -0.424 -16.049 2.135 1.00 0.00 C ATOM 565 OG SER A 39 -0.278 -17.463 2.147 1.00 0.00 O ATOM 0 H SER A 39 0.441 -14.171 3.385 1.00 0.00 H new ATOM 0 HA SER A 39 1.736 -16.090 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.707 -15.693 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.223 -15.760 1.452 1.00 0.00 H new ATOM 0 HG SER A 39 -1.122 -17.877 2.426 1.00 0.00 H new ATOM 571 N SER A 40 0.390 -13.835 -0.071 1.00 0.00 N ATOM 572 CA SER A 40 0.316 -13.392 -1.493 1.00 0.00 C ATOM 573 C SER A 40 -0.065 -11.911 -1.561 1.00 0.00 C ATOM 574 O SER A 40 -0.153 -11.236 -0.555 1.00 0.00 O ATOM 575 CB SER A 40 -0.775 -14.257 -2.123 1.00 0.00 C ATOM 576 OG SER A 40 -0.233 -15.528 -2.458 1.00 0.00 O ATOM 0 H SER A 40 0.067 -13.151 0.613 1.00 0.00 H new ATOM 0 HA SER A 40 1.269 -13.501 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.607 -14.375 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.170 -13.771 -3.015 1.00 0.00 H new ATOM 0 HG SER A 40 0.592 -15.676 -1.950 1.00 0.00 H new ATOM 582 N ASP A 41 -0.292 -11.400 -2.740 1.00 0.00 N ATOM 583 CA ASP A 41 -0.667 -9.963 -2.868 1.00 0.00 C ATOM 584 C ASP A 41 -1.933 -9.672 -2.057 1.00 0.00 C ATOM 585 O ASP A 41 -2.246 -8.535 -1.764 1.00 0.00 O ATOM 586 CB ASP A 41 -0.925 -9.757 -4.360 1.00 0.00 C ATOM 587 CG ASP A 41 0.381 -9.941 -5.136 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.067 -10.916 -4.879 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.672 -9.103 -5.973 1.00 0.00 O ATOM 0 H ASP A 41 -0.234 -11.914 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 41 0.109 -9.296 -2.492 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.672 -10.468 -4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.327 -8.759 -4.536 1.00 0.00 H new ATOM 594 N ASN A 42 -2.665 -10.690 -1.696 1.00 0.00 N ATOM 595 CA ASN A 42 -3.912 -10.472 -0.908 1.00 0.00 C ATOM 596 C ASN A 42 -3.606 -10.483 0.593 1.00 0.00 C ATOM 597 O ASN A 42 -3.505 -11.526 1.206 1.00 0.00 O ATOM 598 CB ASN A 42 -4.818 -11.646 -1.277 1.00 0.00 C ATOM 599 CG ASN A 42 -5.992 -11.717 -0.296 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.607 -12.754 -0.141 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.331 -10.651 0.376 1.00 0.00 N ATOM 0 H ASN A 42 -2.454 -11.664 -1.913 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.375 -9.510 -1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.188 -11.527 -2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.252 -12.577 -1.251 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.112 -10.688 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.815 -9.781 0.246 1.00 0.00 H new ATOM 608 N HIS A 43 -3.463 -9.331 1.192 1.00 0.00 N ATOM 609 CA HIS A 43 -3.171 -9.283 2.653 1.00 0.00 C ATOM 610 C HIS A 43 -3.905 -8.114 3.308 1.00 0.00 C ATOM 611 O HIS A 43 -4.561 -7.329 2.651 1.00 0.00 O ATOM 612 CB HIS A 43 -1.657 -9.091 2.772 1.00 0.00 C ATOM 613 CG HIS A 43 -1.164 -8.118 1.729 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.007 -6.763 1.990 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.752 -8.299 0.433 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.513 -6.188 0.873 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.343 -7.082 -0.106 1.00 0.00 N ATOM 0 H HIS A 43 -3.536 -8.423 0.733 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.502 -10.192 3.155 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.408 -8.723 3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.152 -10.050 2.651 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.746 -9.244 -0.091 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.284 -5.137 0.782 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.011 -6.910 -1.047 1.00 0.00 H new ATOM 625 N SER A 44 -3.795 -7.993 4.602 1.00 0.00 N ATOM 626 CA SER A 44 -4.480 -6.875 5.310 1.00 0.00 C ATOM 627 C SER A 44 -3.640 -5.601 5.204 1.00 0.00 C ATOM 628 O SER A 44 -2.455 -5.605 5.473 1.00 0.00 O ATOM 629 CB SER A 44 -4.581 -7.332 6.765 1.00 0.00 C ATOM 630 OG SER A 44 -3.395 -8.030 7.120 1.00 0.00 O ATOM 0 H SER A 44 -3.259 -8.621 5.201 1.00 0.00 H new ATOM 0 HA SER A 44 -5.459 -6.650 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.721 -6.472 7.420 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.450 -7.977 6.896 1.00 0.00 H new ATOM 0 HG SER A 44 -2.617 -7.562 6.751 1.00 0.00 H new ATOM 636 N CYS A 45 -4.240 -4.509 4.817 1.00 0.00 N ATOM 637 CA CYS A 45 -3.462 -3.243 4.701 1.00 0.00 C ATOM 638 C CYS A 45 -4.066 -2.157 5.590 1.00 0.00 C ATOM 639 O CYS A 45 -5.103 -2.339 6.208 1.00 0.00 O ATOM 640 CB CYS A 45 -3.540 -2.837 3.228 1.00 0.00 C ATOM 641 SG CYS A 45 -5.241 -3.008 2.629 1.00 0.00 S ATOM 0 H CYS A 45 -5.229 -4.438 4.577 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.430 -3.378 5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.205 -1.807 3.108 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.872 -3.461 2.634 1.00 0.00 H new ATOM 646 N ALA A 46 -3.418 -1.030 5.665 1.00 0.00 N ATOM 647 CA ALA A 46 -3.939 0.069 6.524 1.00 0.00 C ATOM 648 C ALA A 46 -4.281 -0.494 7.903 1.00 0.00 C ATOM 649 O ALA A 46 -5.336 -0.236 8.447 1.00 0.00 O ATOM 650 CB ALA A 46 -5.198 0.569 5.815 1.00 0.00 C ATOM 0 H ALA A 46 -2.551 -0.822 5.170 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.219 0.874 6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.640 1.383 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.937 0.928 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.916 -0.247 5.729 1.00 0.00 H new ATOM 656 N GLY A 47 -3.400 -1.277 8.465 1.00 0.00 N ATOM 657 CA GLY A 47 -3.682 -1.875 9.798 1.00 0.00 C ATOM 658 C GLY A 47 -4.928 -2.751 9.683 1.00 0.00 C ATOM 659 O GLY A 47 -5.231 -3.271 8.628 1.00 0.00 O ATOM 0 H GLY A 47 -2.499 -1.527 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.832 -2.468 10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.837 -1.091 10.539 1.00 0.00 H new ATOM 663 N ASN A 48 -5.660 -2.911 10.747 1.00 0.00 N ATOM 664 CA ASN A 48 -6.888 -3.744 10.676 1.00 0.00 C ATOM 665 C ASN A 48 -8.063 -2.893 10.186 1.00 0.00 C ATOM 666 O ASN A 48 -9.166 -2.996 10.684 1.00 0.00 O ATOM 667 CB ASN A 48 -7.128 -4.226 12.107 1.00 0.00 C ATOM 668 CG ASN A 48 -6.526 -5.621 12.285 1.00 0.00 C ATOM 669 OD1 ASN A 48 -5.348 -5.758 12.546 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.290 -6.670 12.151 1.00 0.00 N ATOM 0 H ASN A 48 -5.462 -2.502 11.660 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.786 -4.580 9.984 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.678 -3.531 12.816 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.197 -4.250 12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.898 -7.605 12.265 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.280 -6.556 11.932 1.00 0.00 H new ATOM 677 N ARG A 49 -7.830 -2.038 9.225 1.00 0.00 N ATOM 678 CA ARG A 49 -8.923 -1.170 8.716 1.00 0.00 C ATOM 679 C ARG A 49 -9.294 -1.542 7.278 1.00 0.00 C ATOM 680 O ARG A 49 -10.450 -1.525 6.906 1.00 0.00 O ATOM 681 CB ARG A 49 -8.343 0.240 8.769 1.00 0.00 C ATOM 682 CG ARG A 49 -8.198 0.679 10.226 1.00 0.00 C ATOM 683 CD ARG A 49 -8.454 2.184 10.334 1.00 0.00 C ATOM 684 NE ARG A 49 -9.934 2.316 10.431 1.00 0.00 N ATOM 685 CZ ARG A 49 -10.581 3.056 9.573 1.00 0.00 C ATOM 686 NH1 ARG A 49 -10.375 4.345 9.538 1.00 0.00 N ATOM 687 NH2 ARG A 49 -11.432 2.509 8.749 1.00 0.00 N ATOM 0 H ARG A 49 -6.926 -1.906 8.772 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.836 -1.271 9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.373 0.264 8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.992 0.932 8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.903 0.134 10.853 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.198 0.442 10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.962 2.606 11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.066 2.714 9.464 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.442 1.828 11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.709 4.773 10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.880 4.924 8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.592 1.502 8.775 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.937 3.088 8.079 1.00 0.00 H new ATOM 701 N GLY A 50 -8.330 -1.869 6.463 1.00 0.00 N ATOM 702 CA GLY A 50 -8.654 -2.226 5.053 1.00 0.00 C ATOM 703 C GLY A 50 -8.063 -3.595 4.707 1.00 0.00 C ATOM 704 O GLY A 50 -7.273 -4.148 5.445 1.00 0.00 O ATOM 0 H GLY A 50 -7.341 -1.905 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.735 -2.242 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.256 -1.469 4.378 1.00 0.00 H new ATOM 708 N TRP A 51 -8.446 -4.143 3.585 1.00 0.00 N ATOM 709 CA TRP A 51 -7.916 -5.478 3.179 1.00 0.00 C ATOM 710 C TRP A 51 -7.543 -5.460 1.693 1.00 0.00 C ATOM 711 O TRP A 51 -7.815 -4.507 0.990 1.00 0.00 O ATOM 712 CB TRP A 51 -9.069 -6.449 3.430 1.00 0.00 C ATOM 713 CG TRP A 51 -8.838 -7.184 4.710 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.573 -7.033 5.836 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.821 -8.181 5.016 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.073 -7.875 6.813 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.993 -8.603 6.356 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.777 -8.754 4.268 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.158 -9.561 6.934 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.935 -9.718 4.847 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.125 -10.120 6.176 1.00 0.00 C ATOM 0 H TRP A 51 -9.105 -3.723 2.930 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.019 -5.758 3.731 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.012 -5.905 3.477 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.149 -7.155 2.603 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.413 -6.364 5.953 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.456 -7.949 7.756 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.622 -8.451 3.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.309 -9.868 7.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.136 -10.152 4.264 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.474 -10.861 6.614 1.00 0.00 H new ATOM 732 N CYS A 52 -6.918 -6.498 1.206 1.00 0.00 N ATOM 733 CA CYS A 52 -6.531 -6.520 -0.234 1.00 0.00 C ATOM 734 C CYS A 52 -7.464 -7.435 -1.033 1.00 0.00 C ATOM 735 O CYS A 52 -7.461 -8.639 -0.871 1.00 0.00 O ATOM 736 CB CYS A 52 -5.108 -7.069 -0.249 1.00 0.00 C ATOM 737 SG CYS A 52 -4.270 -6.525 -1.756 1.00 0.00 S ATOM 0 H CYS A 52 -6.660 -7.328 1.740 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.598 -5.532 -0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.563 -6.722 0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.126 -8.158 -0.203 1.00 0.00 H new ATOM 742 N ARG A 53 -8.257 -6.869 -1.902 1.00 0.00 N ATOM 743 CA ARG A 53 -9.186 -7.696 -2.724 1.00 0.00 C ATOM 744 C ARG A 53 -9.007 -7.354 -4.206 1.00 0.00 C ATOM 745 O ARG A 53 -8.807 -6.210 -4.563 1.00 0.00 O ATOM 746 CB ARG A 53 -10.592 -7.301 -2.263 1.00 0.00 C ATOM 747 CG ARG A 53 -10.674 -7.332 -0.735 1.00 0.00 C ATOM 748 CD ARG A 53 -11.410 -6.083 -0.251 1.00 0.00 C ATOM 749 NE ARG A 53 -11.485 -6.226 1.228 1.00 0.00 N ATOM 750 CZ ARG A 53 -12.604 -6.598 1.789 1.00 0.00 C ATOM 751 NH1 ARG A 53 -13.275 -7.606 1.301 1.00 0.00 N ATOM 752 NH2 ARG A 53 -13.051 -5.961 2.836 1.00 0.00 N ATOM 0 H ARG A 53 -8.301 -5.865 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.002 -8.764 -2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.835 -6.303 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.328 -7.984 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.197 -8.229 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.673 -7.370 -0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.875 -5.176 -0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.405 -6.016 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.664 -6.034 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.925 -8.103 0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.149 -7.897 1.739 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.527 -5.173 3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.925 -6.251 3.275 1.00 0.00 H new ATOM 766 N SER A 54 -9.086 -8.325 -5.074 1.00 0.00 N ATOM 767 CA SER A 54 -8.927 -8.025 -6.526 1.00 0.00 C ATOM 768 C SER A 54 -9.878 -6.893 -6.907 1.00 0.00 C ATOM 769 O SER A 54 -9.508 -5.944 -7.568 1.00 0.00 O ATOM 770 CB SER A 54 -9.306 -9.318 -7.246 1.00 0.00 C ATOM 771 OG SER A 54 -10.365 -9.955 -6.544 1.00 0.00 O ATOM 0 H SER A 54 -9.252 -9.305 -4.844 1.00 0.00 H new ATOM 0 HA SER A 54 -7.917 -7.709 -6.787 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.612 -9.101 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.443 -9.981 -7.305 1.00 0.00 H new ATOM 0 HG SER A 54 -10.611 -10.784 -7.005 1.00 0.00 H new ATOM 777 N LYS A 55 -11.102 -6.991 -6.477 1.00 0.00 N ATOM 778 CA LYS A 55 -12.101 -5.938 -6.780 1.00 0.00 C ATOM 779 C LYS A 55 -12.921 -5.656 -5.509 1.00 0.00 C ATOM 780 O LYS A 55 -12.751 -6.313 -4.501 1.00 0.00 O ATOM 781 CB LYS A 55 -12.955 -6.552 -7.902 1.00 0.00 C ATOM 782 CG LYS A 55 -14.445 -6.299 -7.653 1.00 0.00 C ATOM 783 CD LYS A 55 -15.272 -7.035 -8.708 1.00 0.00 C ATOM 784 CE LYS A 55 -15.809 -6.029 -9.729 1.00 0.00 C ATOM 785 NZ LYS A 55 -17.287 -6.047 -9.545 1.00 0.00 N ATOM 0 H LYS A 55 -11.456 -7.769 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.674 -4.984 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.664 -6.124 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.769 -7.624 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.721 -6.641 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.655 -5.230 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.659 -7.785 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.098 -7.564 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.401 -5.033 -9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.534 -6.312 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.728 -5.381 -10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.647 -7.006 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.519 -5.766 -8.571 1.00 0.00 H new ATOM 799 N CYS A 56 -13.802 -4.694 -5.541 1.00 0.00 N ATOM 800 CA CYS A 56 -14.611 -4.400 -4.320 1.00 0.00 C ATOM 801 C CYS A 56 -15.953 -3.761 -4.696 1.00 0.00 C ATOM 802 O CYS A 56 -16.187 -3.408 -5.835 1.00 0.00 O ATOM 803 CB CYS A 56 -13.755 -3.433 -3.502 1.00 0.00 C ATOM 804 SG CYS A 56 -12.551 -4.380 -2.535 1.00 0.00 S ATOM 0 H CYS A 56 -13.997 -4.103 -6.349 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.851 -5.304 -3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.241 -2.735 -4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.386 -2.840 -2.840 1.00 0.00 H new ATOM 809 N PHE A 57 -16.839 -3.622 -3.744 1.00 0.00 N ATOM 810 CA PHE A 57 -18.171 -3.019 -4.038 1.00 0.00 C ATOM 811 C PHE A 57 -18.073 -1.492 -4.097 1.00 0.00 C ATOM 812 O PHE A 57 -17.025 -0.917 -3.877 1.00 0.00 O ATOM 813 CB PHE A 57 -19.061 -3.448 -2.871 1.00 0.00 C ATOM 814 CG PHE A 57 -19.252 -4.946 -2.901 1.00 0.00 C ATOM 815 CD1 PHE A 57 -20.072 -5.528 -3.875 1.00 0.00 C ATOM 816 CD2 PHE A 57 -18.611 -5.752 -1.953 1.00 0.00 C ATOM 817 CE1 PHE A 57 -20.250 -6.916 -3.902 1.00 0.00 C ATOM 818 CE2 PHE A 57 -18.789 -7.140 -1.978 1.00 0.00 C ATOM 819 CZ PHE A 57 -19.609 -7.722 -2.953 1.00 0.00 C ATOM 0 H PHE A 57 -16.696 -3.901 -2.773 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.563 -3.345 -5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.608 -3.148 -1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.027 -2.947 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -20.567 -4.906 -4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.979 -5.303 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -20.881 -7.365 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.295 -7.762 -1.246 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.747 -8.793 -2.973 1.00 0.00 H new ATOM 829 N ARG A 58 -19.161 -0.833 -4.396 1.00 0.00 N ATOM 830 CA ARG A 58 -19.140 0.652 -4.475 1.00 0.00 C ATOM 831 C ARG A 58 -19.210 1.264 -3.079 1.00 0.00 C ATOM 832 O ARG A 58 -18.503 2.202 -2.766 1.00 0.00 O ATOM 833 CB ARG A 58 -20.381 1.027 -5.283 1.00 0.00 C ATOM 834 CG ARG A 58 -20.144 2.360 -5.995 1.00 0.00 C ATOM 835 CD ARG A 58 -21.217 2.563 -7.068 1.00 0.00 C ATOM 836 NE ARG A 58 -22.054 3.688 -6.565 1.00 0.00 N ATOM 837 CZ ARG A 58 -23.307 3.484 -6.263 1.00 0.00 C ATOM 838 NH1 ARG A 58 -23.631 2.539 -5.423 1.00 0.00 N ATOM 839 NH2 ARG A 58 -24.237 4.224 -6.800 1.00 0.00 N ATOM 0 H ARG A 58 -20.065 -1.263 -4.589 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.224 1.022 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -20.602 0.248 -6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.247 1.103 -4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -20.174 3.179 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.153 2.371 -6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -20.770 2.803 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -21.811 1.660 -7.208 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.648 4.617 -6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -22.905 1.960 -5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -24.611 2.380 -5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -23.985 4.963 -7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -25.216 4.064 -6.563 1.00 0.00 H new ATOM 853 N HIS A 59 -20.047 0.737 -2.230 1.00 0.00 N ATOM 854 CA HIS A 59 -20.144 1.292 -0.853 1.00 0.00 C ATOM 855 C HIS A 59 -18.739 1.439 -0.267 1.00 0.00 C ATOM 856 O HIS A 59 -18.508 2.215 0.638 1.00 0.00 O ATOM 857 CB HIS A 59 -20.956 0.265 -0.063 1.00 0.00 C ATOM 858 CG HIS A 59 -22.122 0.948 0.596 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.807 1.990 -0.010 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.737 0.750 1.808 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.785 2.375 0.832 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.786 1.652 1.954 1.00 0.00 N ATOM 0 H HIS A 59 -20.665 -0.050 -2.429 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.613 2.275 -0.826 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.310 -0.523 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.327 -0.211 0.689 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.450 0.007 2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -24.484 3.172 0.625 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.420 1.742 2.748 1.00 0.00 H new ATOM 870 N GLU A 60 -17.798 0.699 -0.789 1.00 0.00 N ATOM 871 CA GLU A 60 -16.404 0.788 -0.284 1.00 0.00 C ATOM 872 C GLU A 60 -15.508 1.388 -1.367 1.00 0.00 C ATOM 873 O GLU A 60 -15.972 1.770 -2.424 1.00 0.00 O ATOM 874 CB GLU A 60 -16.005 -0.660 -0.005 1.00 0.00 C ATOM 875 CG GLU A 60 -16.676 -1.138 1.282 1.00 0.00 C ATOM 876 CD GLU A 60 -15.666 -1.919 2.125 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.745 -1.301 2.633 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.831 -3.122 2.247 1.00 0.00 O ATOM 0 H GLU A 60 -17.940 0.033 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.311 1.417 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.301 -1.296 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.922 -0.738 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.054 -0.285 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.533 -1.769 1.045 1.00 0.00 H new ATOM 885 N TYR A 61 -14.230 1.462 -1.129 1.00 0.00 N ATOM 886 CA TYR A 61 -13.324 2.025 -2.170 1.00 0.00 C ATOM 887 C TYR A 61 -11.962 1.345 -2.113 1.00 0.00 C ATOM 888 O TYR A 61 -11.796 0.301 -1.516 1.00 0.00 O ATOM 889 CB TYR A 61 -13.190 3.519 -1.856 1.00 0.00 C ATOM 890 CG TYR A 61 -12.250 3.729 -0.689 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.574 3.209 0.568 1.00 0.00 C ATOM 892 CD2 TYR A 61 -11.059 4.453 -0.860 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.715 3.405 1.654 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.201 4.650 0.230 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.528 4.127 1.486 1.00 0.00 C ATOM 896 OH TYR A 61 -9.681 4.322 2.557 1.00 0.00 O ATOM 0 H TYR A 61 -13.775 1.160 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.722 1.864 -3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.817 4.049 -2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.169 3.938 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.491 2.654 0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.805 4.857 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.968 2.999 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.285 5.207 0.100 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.203 4.349 3.386 1.00 0.00 H new ATOM 906 N VAL A 62 -10.991 1.943 -2.731 1.00 0.00 N ATOM 907 CA VAL A 62 -9.624 1.360 -2.729 1.00 0.00 C ATOM 908 C VAL A 62 -8.626 2.425 -2.287 1.00 0.00 C ATOM 909 O VAL A 62 -8.221 3.259 -3.068 1.00 0.00 O ATOM 910 CB VAL A 62 -9.374 0.951 -4.181 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.883 0.676 -4.391 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.174 -0.313 -4.499 1.00 0.00 C ATOM 0 H VAL A 62 -11.084 2.820 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.519 0.514 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.688 1.759 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.709 0.385 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.312 1.577 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.565 -0.130 -3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.996 -0.605 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.860 -1.119 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.236 -0.117 -4.355 1.00 0.00 H new ATOM 922 N ASP A 63 -8.234 2.416 -1.038 1.00 0.00 N ATOM 923 CA ASP A 63 -7.268 3.445 -0.560 1.00 0.00 C ATOM 924 C ASP A 63 -6.072 3.509 -1.503 1.00 0.00 C ATOM 925 O ASP A 63 -5.085 2.821 -1.326 1.00 0.00 O ATOM 926 CB ASP A 63 -6.840 2.999 0.840 1.00 0.00 C ATOM 927 CG ASP A 63 -6.634 1.487 0.866 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.786 1.012 0.130 1.00 0.00 O ATOM 929 OD2 ASP A 63 -7.330 0.828 1.621 1.00 0.00 O ATOM 0 H ASP A 63 -8.540 1.744 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.709 4.441 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.918 3.505 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.599 3.284 1.569 1.00 0.00 H new ATOM 934 N THR A 64 -6.159 4.330 -2.509 1.00 0.00 N ATOM 935 CA THR A 64 -5.032 4.446 -3.481 1.00 0.00 C ATOM 936 C THR A 64 -3.693 4.455 -2.741 1.00 0.00 C ATOM 937 O THR A 64 -2.672 4.074 -3.278 1.00 0.00 O ATOM 938 CB THR A 64 -5.260 5.781 -4.190 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.958 6.663 -3.322 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.083 5.553 -5.459 1.00 0.00 C ATOM 0 H THR A 64 -6.962 4.928 -2.703 1.00 0.00 H new ATOM 0 HA THR A 64 -5.002 3.611 -4.180 1.00 0.00 H new ATOM 0 HB THR A 64 -4.299 6.220 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.103 7.520 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.245 6.505 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.546 4.877 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.045 5.114 -5.195 1.00 0.00 H new ATOM 948 N TYR A 65 -3.691 4.894 -1.513 1.00 0.00 N ATOM 949 CA TYR A 65 -2.421 4.938 -0.735 1.00 0.00 C ATOM 950 C TYR A 65 -1.884 3.527 -0.480 1.00 0.00 C ATOM 951 O TYR A 65 -0.722 3.250 -0.701 1.00 0.00 O ATOM 952 CB TYR A 65 -2.797 5.604 0.588 1.00 0.00 C ATOM 953 CG TYR A 65 -1.554 6.144 1.253 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.730 5.290 1.995 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.227 7.501 1.130 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.422 5.790 2.614 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.074 8.001 1.749 1.00 0.00 C ATOM 958 CZ TYR A 65 0.749 7.146 2.491 1.00 0.00 C ATOM 959 OH TYR A 65 1.885 7.639 3.102 1.00 0.00 O ATOM 0 H TYR A 65 -4.516 5.225 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.639 5.477 -1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.507 6.412 0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.289 4.884 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.983 4.244 2.090 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.863 8.161 0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.058 5.130 3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.180 9.046 1.654 1.00 0.00 H new ATOM 0 HH TYR A 65 1.966 8.598 2.917 1.00 0.00 H new ATOM 969 N TYR A 66 -2.709 2.638 0.004 1.00 0.00 N ATOM 970 CA TYR A 66 -2.225 1.254 0.294 1.00 0.00 C ATOM 971 C TYR A 66 -2.311 0.354 -0.948 1.00 0.00 C ATOM 972 O TYR A 66 -1.891 -0.791 -0.930 1.00 0.00 O ATOM 973 CB TYR A 66 -3.129 0.744 1.413 1.00 0.00 C ATOM 974 CG TYR A 66 -2.477 1.060 2.737 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.442 0.248 3.220 1.00 0.00 C ATOM 976 CD2 TYR A 66 -2.893 2.173 3.476 1.00 0.00 C ATOM 977 CE1 TYR A 66 -0.826 0.549 4.440 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.278 2.474 4.698 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.245 1.662 5.180 1.00 0.00 C ATOM 980 OH TYR A 66 -0.637 1.959 6.383 1.00 0.00 O ATOM 0 H TYR A 66 -3.693 2.807 0.211 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.175 1.248 0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.110 1.215 1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.285 -0.330 1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.119 -0.611 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.689 2.801 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.028 -0.077 4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.601 3.333 5.268 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.046 2.763 6.767 1.00 0.00 H new ATOM 990 N SER A 67 -2.830 0.863 -2.032 1.00 0.00 N ATOM 991 CA SER A 67 -2.916 0.034 -3.270 1.00 0.00 C ATOM 992 C SER A 67 -1.519 -0.482 -3.640 1.00 0.00 C ATOM 993 O SER A 67 -1.371 -1.410 -4.410 1.00 0.00 O ATOM 994 CB SER A 67 -3.434 0.986 -4.346 1.00 0.00 C ATOM 995 OG SER A 67 -4.642 0.470 -4.887 1.00 0.00 O ATOM 0 H SER A 67 -3.196 1.811 -2.115 1.00 0.00 H new ATOM 0 HA SER A 67 -3.564 -0.834 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.606 1.975 -3.921 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.690 1.102 -5.134 1.00 0.00 H new ATOM 0 HG SER A 67 -4.978 1.080 -5.577 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.494 0.121 -3.094 1.00 0.00 N ATOM 1002 CA ALA A 68 0.896 -0.319 -3.410 1.00 0.00 C ATOM 1003 C ALA A 68 1.197 -1.682 -2.776 1.00 0.00 C ATOM 1004 O ALA A 68 1.564 -2.621 -3.455 1.00 0.00 O ATOM 1005 CB ALA A 68 1.799 0.759 -2.812 1.00 0.00 C ATOM 0 H ALA A 68 -0.561 0.902 -2.441 1.00 0.00 H new ATOM 0 HA ALA A 68 1.048 -0.436 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.842 0.507 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.569 1.721 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.631 0.819 -1.737 1.00 0.00 H new ATOM 1011 N VAL A 69 1.053 -1.803 -1.482 1.00 0.00 N ATOM 1012 CA VAL A 69 1.343 -3.110 -0.830 1.00 0.00 C ATOM 1013 C VAL A 69 0.407 -4.178 -1.392 1.00 0.00 C ATOM 1014 O VAL A 69 0.734 -5.348 -1.433 1.00 0.00 O ATOM 1015 CB VAL A 69 1.105 -2.896 0.675 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.390 -2.808 0.984 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.707 -4.063 1.453 1.00 0.00 C ATOM 0 H VAL A 69 0.749 -1.058 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 69 2.363 -3.447 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 69 1.579 -1.960 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.532 -2.657 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.826 -1.971 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.879 -3.733 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.540 -3.914 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.234 -4.993 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.778 -4.117 1.258 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.754 -3.781 -1.835 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.706 -4.773 -2.404 1.00 0.00 C ATOM 1029 C CYS A 70 -1.123 -5.392 -3.678 1.00 0.00 C ATOM 1030 O CYS A 70 -1.107 -6.595 -3.844 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.968 -3.975 -2.720 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.300 -4.512 -1.623 1.00 0.00 S ATOM 0 H CYS A 70 -1.083 -2.816 -1.827 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.908 -5.595 -1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.781 -2.909 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.256 -4.123 -3.761 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.643 -4.578 -4.579 1.00 0.00 N ATOM 1038 CA GLY A 71 -0.059 -5.122 -5.840 1.00 0.00 C ATOM 1039 C GLY A 71 -1.166 -5.313 -6.879 1.00 0.00 C ATOM 1040 O GLY A 71 -2.029 -4.474 -7.043 1.00 0.00 O ATOM 0 H GLY A 71 -0.630 -3.561 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.700 -4.441 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.436 -6.073 -5.643 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.148 -6.413 -7.584 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.200 -6.656 -8.611 1.00 0.00 C ATOM 1046 C ARG A 72 -3.582 -6.394 -8.012 1.00 0.00 C ATOM 1047 O ARG A 72 -4.496 -5.970 -8.691 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.051 -8.131 -8.990 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.154 -8.255 -10.223 1.00 0.00 C ATOM 1050 CD ARG A 72 0.146 -8.966 -9.839 1.00 0.00 C ATOM 1051 NE ARG A 72 1.017 -8.850 -11.042 1.00 0.00 N ATOM 1052 CZ ARG A 72 1.146 -9.861 -11.855 1.00 0.00 C ATOM 1053 NH1 ARG A 72 1.347 -11.060 -11.378 1.00 0.00 N ATOM 1054 NH2 ARG A 72 1.076 -9.677 -13.145 1.00 0.00 N ATOM 0 H ARG A 72 -0.451 -7.152 -7.493 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.095 -6.002 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.622 -8.689 -8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.030 -8.565 -9.194 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.669 -8.813 -11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.935 -7.267 -10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.609 -8.500 -8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.036 -10.010 -9.582 1.00 0.00 H new ATOM 0 HE ARG A 72 1.513 -7.979 -11.230 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.403 -11.205 -10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.448 -11.851 -12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.920 -8.741 -13.519 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.177 -10.469 -13.779 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.737 -6.640 -6.741 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.058 -6.403 -6.090 1.00 0.00 C ATOM 1070 C TYR A 73 -5.147 -4.958 -5.598 1.00 0.00 C ATOM 1071 O TYR A 73 -4.240 -4.171 -5.781 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.095 -7.367 -4.904 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.346 -8.772 -5.396 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -4.452 -9.373 -6.290 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -6.473 -9.474 -4.955 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -4.687 -10.677 -6.743 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -6.708 -10.777 -5.407 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.814 -11.379 -6.301 1.00 0.00 C ATOM 1079 OH TYR A 73 -6.046 -12.664 -6.748 1.00 0.00 O ATOM 0 H TYR A 73 -3.007 -6.995 -6.124 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.890 -6.564 -6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.151 -7.325 -4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.878 -7.070 -4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.582 -8.831 -6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.162 -9.010 -4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.998 -11.141 -7.434 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.578 -11.318 -5.067 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.870 -13.007 -6.343 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.230 -4.606 -4.965 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.372 -3.215 -4.449 1.00 0.00 C ATOM 1091 C PHE A 74 -6.697 -3.245 -2.961 1.00 0.00 C ATOM 1092 O PHE A 74 -7.520 -4.015 -2.513 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.545 -2.609 -5.215 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.310 -2.737 -6.696 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -6.220 -2.096 -7.291 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.193 -3.492 -7.471 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -6.014 -2.213 -8.671 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.988 -3.612 -8.847 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.897 -2.972 -9.450 1.00 0.00 C ATOM 0 H PHE A 74 -7.023 -5.220 -4.782 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.455 -2.640 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.471 -3.115 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.663 -1.559 -4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.539 -1.513 -6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.035 -3.983 -7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.174 -1.718 -9.135 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.670 -4.198 -9.446 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.737 -3.064 -10.514 1.00 0.00 H new ATOM 1109 N CYS A 75 -6.075 -2.406 -2.189 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.377 -2.393 -0.735 1.00 0.00 C ATOM 1111 C CYS A 75 -7.676 -1.621 -0.510 1.00 0.00 C ATOM 1112 O CYS A 75 -7.688 -0.408 -0.473 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.191 -1.680 -0.086 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.590 -1.286 1.634 1.00 0.00 S ATOM 0 H CYS A 75 -5.375 -1.732 -2.498 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.510 -3.389 -0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.305 -2.313 -0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.957 -0.767 -0.634 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.778 -2.309 -0.383 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.065 -1.593 -0.185 1.00 0.00 C ATOM 1121 C CYS A 76 -10.208 -1.143 1.264 1.00 0.00 C ATOM 1122 O CYS A 76 -9.483 -1.570 2.140 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.160 -2.598 -0.528 1.00 0.00 C ATOM 1124 SG CYS A 76 -11.003 -3.109 -2.257 1.00 0.00 S ATOM 0 H CYS A 76 -8.841 -3.327 -0.408 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.122 -0.702 -0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.086 -3.467 0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.141 -2.153 -0.358 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.144 -0.281 1.511 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.362 0.217 2.896 1.00 0.00 C ATOM 1131 C ARG A 77 -12.758 0.826 3.014 1.00 0.00 C ATOM 1132 O ARG A 77 -13.488 0.928 2.045 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.293 1.290 3.107 1.00 0.00 C ATOM 1134 CG ARG A 77 -9.115 0.697 3.879 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.276 1.832 4.469 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.172 2.495 5.456 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.763 3.553 6.102 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.524 3.633 6.504 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -9.593 4.531 6.346 1.00 0.00 N ATOM 0 H ARG A 77 -11.775 0.106 0.809 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.291 -0.578 3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.954 1.674 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.713 2.133 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.477 0.046 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.504 0.083 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.374 1.450 4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.955 2.530 3.696 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.106 2.122 5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.876 2.869 6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.204 4.460 7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.561 4.468 6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.273 5.358 6.851 1.00 0.00 H new ATOM 1153 N SER A 78 -13.129 1.239 4.192 1.00 0.00 N ATOM 1154 CA SER A 78 -14.475 1.851 4.374 1.00 0.00 C ATOM 1155 C SER A 78 -14.338 3.358 4.605 1.00 0.00 C ATOM 1156 O SER A 78 -13.957 3.800 5.670 1.00 0.00 O ATOM 1157 CB SER A 78 -15.061 1.168 5.610 1.00 0.00 C ATOM 1158 OG SER A 78 -14.573 1.813 6.778 1.00 0.00 O ATOM 0 H SER A 78 -12.560 1.180 5.036 1.00 0.00 H new ATOM 0 HA SER A 78 -15.112 1.718 3.499 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.150 1.214 5.583 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.786 0.113 5.621 1.00 0.00 H new ATOM 0 HG SER A 78 -13.773 2.333 6.554 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.642 4.151 3.614 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.524 5.628 3.779 1.00 0.00 C ATOM 1166 C ARG A 79 -15.402 6.102 4.940 1.00 0.00 C ATOM 1167 O ARG A 79 -14.851 6.465 5.965 1.00 0.00 O ATOM 1168 CB ARG A 79 -15.016 6.218 2.457 1.00 0.00 C ATOM 1169 CG ARG A 79 -14.674 7.708 2.405 1.00 0.00 C ATOM 1170 CD ARG A 79 -15.676 8.433 1.504 1.00 0.00 C ATOM 1171 NE ARG A 79 -14.913 8.769 0.270 1.00 0.00 N ATOM 1172 CZ ARG A 79 -15.435 9.562 -0.625 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -16.513 9.203 -1.267 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -14.880 10.716 -0.879 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.613 6.096 4.781 1.00 0.00 O ATOM 0 H ARG A 79 -14.967 3.841 2.698 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.504 5.937 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.552 5.698 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.093 6.078 2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.699 8.132 3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.662 7.846 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.533 7.799 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.062 9.331 1.986 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.982 8.379 0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.948 8.302 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.920 9.824 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.038 10.998 -0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -15.289 11.335 -1.579 1.00 0.00 H new TER 1189 ARG A 79