USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 614 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.072 K(o=-0.072,f=-1.5!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.11 K(o=-2.1,f=-8.2!) USER MOD Single : A 30 ASN : amide:sc= 0.698 K(o=0.7,f=-0.28) USER MOD Single : A 34 THR OG1 : rot -77:sc= -2.08! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00353 X(o=-0.0035,f=0) USER MOD Single : A 50 GLN : amide:sc= 1.3 K(o=1.3,f=-0.11) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.32 USER MOD Single : A 71 ASN : amide:sc= -3.12! C(o=-3.1!,f=-5.2!) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -0.0302 (180deg=-0.426) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 1.806 -18.495 10.930 1.00 0.00 N ATOM 2 CA ALA A 2 2.728 -18.476 9.808 1.00 0.00 C ATOM 3 C ALA A 2 2.256 -17.443 8.783 1.00 0.00 C ATOM 4 O ALA A 2 1.455 -16.566 9.105 1.00 0.00 O ATOM 5 CB ALA A 2 2.836 -19.881 9.211 1.00 0.00 C ATOM 0 HA ALA A 2 3.725 -18.184 10.137 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.528 -19.866 8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.203 -20.572 9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.854 -20.207 8.868 1.00 0.00 H new ATOM 11 N ASP A 3 2.773 -17.580 7.571 1.00 0.00 N ATOM 12 CA ASP A 3 2.414 -16.669 6.497 1.00 0.00 C ATOM 13 C ASP A 3 2.814 -15.245 6.887 1.00 0.00 C ATOM 14 O ASP A 3 2.085 -14.567 7.610 1.00 0.00 O ATOM 15 CB ASP A 3 0.905 -16.683 6.244 1.00 0.00 C ATOM 16 CG ASP A 3 0.353 -17.999 5.692 1.00 0.00 C ATOM 17 OD1 ASP A 3 1.098 -18.650 4.929 1.00 0.00 O ATOM 18 OD2 ASP A 3 -0.801 -18.324 6.047 1.00 0.00 O ATOM 0 H ASP A 3 3.438 -18.308 7.309 1.00 0.00 H new ATOM 0 HA ASP A 3 2.934 -16.990 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.393 -16.456 7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.662 -15.883 5.545 1.00 0.00 H new ATOM 23 N GLU A 4 3.973 -14.833 6.391 1.00 0.00 N ATOM 24 CA GLU A 4 4.478 -13.502 6.679 1.00 0.00 C ATOM 25 C GLU A 4 5.249 -12.955 5.475 1.00 0.00 C ATOM 26 O GLU A 4 6.018 -12.004 5.605 1.00 0.00 O ATOM 27 CB GLU A 4 5.355 -13.508 7.933 1.00 0.00 C ATOM 28 CG GLU A 4 5.181 -12.214 8.729 1.00 0.00 C ATOM 29 CD GLU A 4 4.790 -12.509 10.179 1.00 0.00 C ATOM 30 OE1 GLU A 4 3.696 -13.084 10.365 1.00 0.00 O ATOM 31 OE2 GLU A 4 5.594 -12.153 11.066 1.00 0.00 O ATOM 0 H GLU A 4 4.575 -15.398 5.792 1.00 0.00 H new ATOM 0 HA GLU A 4 3.629 -12.846 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.095 -14.362 8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.401 -13.627 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.109 -11.643 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.415 -11.595 8.261 1.00 0.00 H new ATOM 38 N ALA A 5 5.015 -13.581 4.330 1.00 0.00 N ATOM 39 CA ALA A 5 5.678 -13.169 3.104 1.00 0.00 C ATOM 40 C ALA A 5 4.836 -12.096 2.411 1.00 0.00 C ATOM 41 O ALA A 5 5.328 -11.387 1.534 1.00 0.00 O ATOM 42 CB ALA A 5 5.912 -14.392 2.215 1.00 0.00 C ATOM 0 H ALA A 5 4.376 -14.369 4.226 1.00 0.00 H new ATOM 0 HA ALA A 5 6.653 -12.733 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.409 -14.084 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.539 -15.111 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.955 -14.854 1.973 1.00 0.00 H new ATOM 48 N ILE A 6 3.582 -12.011 2.829 1.00 0.00 N ATOM 49 CA ILE A 6 2.667 -11.037 2.259 1.00 0.00 C ATOM 50 C ILE A 6 2.750 -9.736 3.061 1.00 0.00 C ATOM 51 O ILE A 6 2.892 -8.657 2.486 1.00 0.00 O ATOM 52 CB ILE A 6 1.254 -11.615 2.171 1.00 0.00 C ATOM 53 CG1 ILE A 6 1.055 -12.378 0.859 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.201 -10.523 2.365 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.248 -13.181 0.884 1.00 0.00 C ATOM 0 H ILE A 6 3.178 -12.601 3.556 1.00 0.00 H new ATOM 0 HA ILE A 6 2.953 -10.800 1.234 1.00 0.00 H new ATOM 0 HB ILE A 6 1.127 -12.331 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.038 -11.676 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.897 -13.050 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.795 -10.962 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.330 -10.064 3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.316 -9.765 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.365 -13.714 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.218 -13.898 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.090 -12.504 1.025 1.00 0.00 H new ATOM 67 N LYS A 7 2.659 -9.881 4.374 1.00 0.00 N ATOM 68 CA LYS A 7 2.722 -8.732 5.260 1.00 0.00 C ATOM 69 C LYS A 7 4.058 -8.013 5.062 1.00 0.00 C ATOM 70 O LYS A 7 4.121 -6.786 5.119 1.00 0.00 O ATOM 71 CB LYS A 7 2.459 -9.155 6.707 1.00 0.00 C ATOM 72 CG LYS A 7 1.620 -8.108 7.442 1.00 0.00 C ATOM 73 CD LYS A 7 2.407 -7.485 8.596 1.00 0.00 C ATOM 74 CE LYS A 7 1.546 -6.486 9.371 1.00 0.00 C ATOM 75 NZ LYS A 7 1.895 -6.507 10.810 1.00 0.00 N ATOM 0 H LYS A 7 2.542 -10.778 4.846 1.00 0.00 H new ATOM 0 HA LYS A 7 1.936 -8.018 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.942 -10.115 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.407 -9.296 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.312 -7.329 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.710 -8.570 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.755 -8.269 9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.293 -6.982 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.692 -5.483 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.491 -6.730 9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.301 -5.823 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.733 -7.460 11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.896 -6.252 10.928 1.00 0.00 H new ATOM 89 N ASN A 8 5.092 -8.809 4.834 1.00 0.00 N ATOM 90 CA ASN A 8 6.424 -8.264 4.627 1.00 0.00 C ATOM 91 C ASN A 8 6.506 -7.646 3.230 1.00 0.00 C ATOM 92 O ASN A 8 6.786 -6.456 3.089 1.00 0.00 O ATOM 93 CB ASN A 8 7.488 -9.358 4.723 1.00 0.00 C ATOM 94 CG ASN A 8 8.786 -8.810 5.320 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.971 -7.615 5.476 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.672 -9.749 5.641 1.00 0.00 N ATOM 0 H ASN A 8 5.035 -9.826 4.788 1.00 0.00 H new ATOM 0 HA ASN A 8 6.606 -7.516 5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.118 -10.177 5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.684 -9.768 3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.571 -9.485 6.045 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.452 -10.733 5.484 1.00 0.00 H new ATOM 103 N GLY A 9 6.257 -8.481 2.232 1.00 0.00 N ATOM 104 CA GLY A 9 6.299 -8.032 0.851 1.00 0.00 C ATOM 105 C GLY A 9 5.481 -6.752 0.666 1.00 0.00 C ATOM 106 O GLY A 9 5.916 -5.828 -0.019 1.00 0.00 O ATOM 0 H GLY A 9 6.025 -9.467 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.332 -7.854 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.910 -8.814 0.199 1.00 0.00 H new ATOM 110 N VAL A 10 4.312 -6.740 1.287 1.00 0.00 N ATOM 111 CA VAL A 10 3.429 -5.589 1.200 1.00 0.00 C ATOM 112 C VAL A 10 4.162 -4.349 1.715 1.00 0.00 C ATOM 113 O VAL A 10 4.147 -3.302 1.070 1.00 0.00 O ATOM 114 CB VAL A 10 2.127 -5.870 1.952 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.354 -4.575 2.212 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.263 -6.881 1.196 1.00 0.00 C ATOM 0 H VAL A 10 3.955 -7.509 1.853 1.00 0.00 H new ATOM 0 HA VAL A 10 3.154 -5.396 0.163 1.00 0.00 H new ATOM 0 HB VAL A 10 2.386 -6.306 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.433 -4.803 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.965 -3.901 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.113 -4.098 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.344 -7.062 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.018 -6.485 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.811 -7.817 1.085 1.00 0.00 H new ATOM 126 N LEU A 11 4.787 -4.509 2.873 1.00 0.00 N ATOM 127 CA LEU A 11 5.524 -3.415 3.483 1.00 0.00 C ATOM 128 C LEU A 11 6.770 -3.119 2.647 1.00 0.00 C ATOM 129 O LEU A 11 7.063 -1.961 2.353 1.00 0.00 O ATOM 130 CB LEU A 11 5.827 -3.726 4.949 1.00 0.00 C ATOM 131 CG LEU A 11 5.821 -2.528 5.903 1.00 0.00 C ATOM 132 CD1 LEU A 11 4.648 -1.595 5.605 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.831 -2.990 7.362 1.00 0.00 C ATOM 0 H LEU A 11 4.798 -5.379 3.405 1.00 0.00 H new ATOM 0 HA LEU A 11 4.922 -2.507 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.096 -4.452 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.805 -4.205 5.004 1.00 0.00 H new ATOM 0 HG LEU A 11 6.735 -1.956 5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.668 -0.753 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.727 -1.226 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.711 -2.139 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.827 -2.120 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.947 -3.597 7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.727 -3.582 7.550 1.00 0.00 H new ATOM 145 N ASP A 12 7.471 -4.184 2.288 1.00 0.00 N ATOM 146 CA ASP A 12 8.680 -4.052 1.493 1.00 0.00 C ATOM 147 C ASP A 12 8.354 -3.306 0.198 1.00 0.00 C ATOM 148 O ASP A 12 9.163 -2.519 -0.290 1.00 0.00 O ATOM 149 CB ASP A 12 9.245 -5.424 1.119 1.00 0.00 C ATOM 150 CG ASP A 12 10.773 -5.506 1.083 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.356 -5.683 2.174 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.322 -5.390 -0.033 1.00 0.00 O ATOM 0 H ASP A 12 7.225 -5.143 2.533 1.00 0.00 H new ATOM 0 HA ASP A 12 9.416 -3.508 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.873 -6.160 1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.858 -5.705 0.140 1.00 0.00 H new ATOM 157 N ILE A 13 7.166 -3.579 -0.322 1.00 0.00 N ATOM 158 CA ILE A 13 6.722 -2.943 -1.551 1.00 0.00 C ATOM 159 C ILE A 13 6.275 -1.512 -1.247 1.00 0.00 C ATOM 160 O ILE A 13 6.280 -0.655 -2.130 1.00 0.00 O ATOM 161 CB ILE A 13 5.649 -3.791 -2.236 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.277 -4.779 -3.222 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.595 -2.906 -2.905 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.594 -6.146 -3.138 1.00 0.00 C ATOM 0 H ILE A 13 6.497 -4.232 0.086 1.00 0.00 H new ATOM 0 HA ILE A 13 7.544 -2.875 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 13 5.139 -4.378 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.194 -4.389 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.340 -4.886 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.844 -3.534 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.117 -2.278 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.072 -2.275 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.059 -6.829 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.700 -6.544 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.536 -6.039 -3.377 1.00 0.00 H new ATOM 176 N LEU A 14 5.899 -1.297 0.005 1.00 0.00 N ATOM 177 CA LEU A 14 5.449 0.015 0.437 1.00 0.00 C ATOM 178 C LEU A 14 6.665 0.906 0.698 1.00 0.00 C ATOM 179 O LEU A 14 6.794 1.976 0.103 1.00 0.00 O ATOM 180 CB LEU A 14 4.508 -0.109 1.637 1.00 0.00 C ATOM 181 CG LEU A 14 3.053 0.293 1.392 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.174 -0.940 1.173 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.528 1.176 2.527 1.00 0.00 C ATOM 0 H LEU A 14 5.897 -2.010 0.734 1.00 0.00 H new ATOM 0 HA LEU A 14 4.865 0.495 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.525 -1.143 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.902 0.504 2.447 1.00 0.00 H new ATOM 0 HG LEU A 14 3.012 0.886 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.144 -0.627 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.534 -1.494 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.216 -1.578 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.491 1.447 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.585 0.630 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.133 2.080 2.594 1.00 0.00 H new ATOM 195 N ALA A 15 7.526 0.432 1.587 1.00 0.00 N ATOM 196 CA ALA A 15 8.727 1.172 1.934 1.00 0.00 C ATOM 197 C ALA A 15 9.589 1.353 0.682 1.00 0.00 C ATOM 198 O ALA A 15 10.401 2.275 0.612 1.00 0.00 O ATOM 199 CB ALA A 15 9.471 0.443 3.054 1.00 0.00 C ATOM 0 H ALA A 15 7.415 -0.456 2.077 1.00 0.00 H new ATOM 0 HA ALA A 15 8.472 2.165 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.372 0.999 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.826 0.367 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.746 -0.557 2.718 1.00 0.00 H new ATOM 205 N ASP A 16 9.382 0.460 -0.274 1.00 0.00 N ATOM 206 CA ASP A 16 10.130 0.509 -1.517 1.00 0.00 C ATOM 207 C ASP A 16 9.511 1.563 -2.439 1.00 0.00 C ATOM 208 O ASP A 16 10.228 2.335 -3.074 1.00 0.00 O ATOM 209 CB ASP A 16 10.083 -0.838 -2.242 1.00 0.00 C ATOM 210 CG ASP A 16 10.663 -0.831 -3.658 1.00 0.00 C ATOM 211 OD1 ASP A 16 11.711 -0.174 -3.839 1.00 0.00 O ATOM 212 OD2 ASP A 16 10.046 -1.485 -4.528 1.00 0.00 O ATOM 0 H ASP A 16 8.707 -0.302 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 16 11.165 0.755 -1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.625 -1.573 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.046 -1.171 -2.292 1.00 0.00 H new ATOM 217 N LEU A 17 8.187 1.561 -2.481 1.00 0.00 N ATOM 218 CA LEU A 17 7.464 2.508 -3.312 1.00 0.00 C ATOM 219 C LEU A 17 7.874 3.932 -2.933 1.00 0.00 C ATOM 220 O LEU A 17 8.153 4.754 -3.803 1.00 0.00 O ATOM 221 CB LEU A 17 5.957 2.257 -3.223 1.00 0.00 C ATOM 222 CG LEU A 17 5.255 1.919 -4.539 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.458 0.447 -4.907 1.00 0.00 C ATOM 224 CD2 LEU A 17 3.772 2.295 -4.482 1.00 0.00 C ATOM 0 H LEU A 17 7.596 0.919 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 17 7.726 2.371 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.786 1.440 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.485 3.144 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 17 5.709 2.515 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.949 0.233 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.523 0.243 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.047 -0.185 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.296 2.044 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.288 1.744 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.675 3.365 -4.299 1.00 0.00 H new ATOM 236 N THR A 18 7.897 4.179 -1.631 1.00 0.00 N ATOM 237 CA THR A 18 8.269 5.490 -1.125 1.00 0.00 C ATOM 238 C THR A 18 9.777 5.707 -1.265 1.00 0.00 C ATOM 239 O THR A 18 10.214 6.681 -1.879 1.00 0.00 O ATOM 240 CB THR A 18 7.772 5.598 0.317 1.00 0.00 C ATOM 241 OG1 THR A 18 8.508 4.599 1.015 1.00 0.00 O ATOM 242 CG2 THR A 18 6.313 5.159 0.467 1.00 0.00 C ATOM 0 H THR A 18 7.664 3.494 -0.912 1.00 0.00 H new ATOM 0 HA THR A 18 7.802 6.285 -1.706 1.00 0.00 H new ATOM 0 HB THR A 18 7.880 6.626 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.248 4.601 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.010 5.255 1.509 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.678 5.789 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.212 4.120 0.154 1.00 0.00 H new ATOM 250 N GLY A 19 10.532 4.785 -0.686 1.00 0.00 N ATOM 251 CA GLY A 19 11.982 4.864 -0.738 1.00 0.00 C ATOM 252 C GLY A 19 12.562 5.225 0.631 1.00 0.00 C ATOM 253 O GLY A 19 13.772 5.393 0.772 1.00 0.00 O ATOM 0 H GLY A 19 10.167 3.979 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.390 3.909 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.283 5.611 -1.473 1.00 0.00 H new ATOM 257 N SER A 20 11.670 5.336 1.604 1.00 0.00 N ATOM 258 CA SER A 20 12.077 5.674 2.957 1.00 0.00 C ATOM 259 C SER A 20 11.492 4.667 3.948 1.00 0.00 C ATOM 260 O SER A 20 10.694 3.811 3.570 1.00 0.00 O ATOM 261 CB SER A 20 11.641 7.094 3.325 1.00 0.00 C ATOM 262 OG SER A 20 12.678 8.046 3.103 1.00 0.00 O ATOM 0 H SER A 20 10.667 5.198 1.482 1.00 0.00 H new ATOM 0 HA SER A 20 13.165 5.632 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.765 7.368 2.737 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.342 7.121 4.373 1.00 0.00 H new ATOM 0 HG SER A 20 12.360 8.940 3.348 1.00 0.00 H new ATOM 268 N ASP A 21 11.911 4.801 5.198 1.00 0.00 N ATOM 269 CA ASP A 21 11.439 3.912 6.246 1.00 0.00 C ATOM 270 C ASP A 21 10.648 4.722 7.276 1.00 0.00 C ATOM 271 O ASP A 21 11.115 4.937 8.393 1.00 0.00 O ATOM 272 CB ASP A 21 12.609 3.243 6.969 1.00 0.00 C ATOM 273 CG ASP A 21 12.259 2.609 8.316 1.00 0.00 C ATOM 274 OD1 ASP A 21 11.126 2.092 8.424 1.00 0.00 O ATOM 275 OD2 ASP A 21 13.132 2.655 9.210 1.00 0.00 O ATOM 0 H ASP A 21 12.573 5.512 5.509 1.00 0.00 H new ATOM 0 HA ASP A 21 10.816 3.146 5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.026 2.473 6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.392 3.985 7.126 1.00 0.00 H new ATOM 280 N ASP A 22 9.463 5.147 6.863 1.00 0.00 N ATOM 281 CA ASP A 22 8.602 5.926 7.735 1.00 0.00 C ATOM 282 C ASP A 22 7.221 5.270 7.802 1.00 0.00 C ATOM 283 O ASP A 22 6.628 5.173 8.875 1.00 0.00 O ATOM 284 CB ASP A 22 8.423 7.350 7.205 1.00 0.00 C ATOM 285 CG ASP A 22 8.290 8.430 8.281 1.00 0.00 C ATOM 286 OD1 ASP A 22 9.241 8.553 9.082 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.240 9.108 8.277 1.00 0.00 O ATOM 0 H ASP A 22 9.079 4.966 5.935 1.00 0.00 H new ATOM 0 HA ASP A 22 9.067 5.963 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.274 7.595 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.535 7.377 6.573 1.00 0.00 H new ATOM 292 N VAL A 23 6.751 4.839 6.642 1.00 0.00 N ATOM 293 CA VAL A 23 5.451 4.195 6.554 1.00 0.00 C ATOM 294 C VAL A 23 5.608 2.698 6.831 1.00 0.00 C ATOM 295 O VAL A 23 4.636 1.947 6.771 1.00 0.00 O ATOM 296 CB VAL A 23 4.811 4.487 5.195 1.00 0.00 C ATOM 297 CG1 VAL A 23 5.391 3.577 4.110 1.00 0.00 C ATOM 298 CG2 VAL A 23 3.289 4.356 5.265 1.00 0.00 C ATOM 0 H VAL A 23 7.247 4.923 5.754 1.00 0.00 H new ATOM 0 HA VAL A 23 4.775 4.597 7.309 1.00 0.00 H new ATOM 0 HB VAL A 23 5.045 5.518 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.920 3.805 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.466 3.742 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.201 2.535 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.860 4.569 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.024 3.342 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.896 5.064 5.995 1.00 0.00 H new ATOM 308 N LYS A 24 6.839 2.310 7.129 1.00 0.00 N ATOM 309 CA LYS A 24 7.137 0.917 7.416 1.00 0.00 C ATOM 310 C LYS A 24 6.910 0.648 8.904 1.00 0.00 C ATOM 311 O LYS A 24 6.527 -0.457 9.288 1.00 0.00 O ATOM 312 CB LYS A 24 8.543 0.559 6.932 1.00 0.00 C ATOM 313 CG LYS A 24 8.949 -0.835 7.413 1.00 0.00 C ATOM 314 CD LYS A 24 9.914 -0.747 8.597 1.00 0.00 C ATOM 315 CE LYS A 24 10.156 -2.128 9.211 1.00 0.00 C ATOM 316 NZ LYS A 24 9.514 -2.224 10.540 1.00 0.00 N ATOM 0 H LYS A 24 7.642 2.936 7.178 1.00 0.00 H new ATOM 0 HA LYS A 24 6.461 0.261 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.577 0.596 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.257 1.297 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.061 -1.396 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.419 -1.383 6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.861 -0.320 8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.508 -0.075 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.759 -2.900 8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.227 -2.308 9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.688 -3.167 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.912 -1.500 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.490 -2.073 10.442 1.00 0.00 H new ATOM 330 N LYS A 25 7.156 1.675 9.703 1.00 0.00 N ATOM 331 CA LYS A 25 6.984 1.563 11.141 1.00 0.00 C ATOM 332 C LYS A 25 5.584 2.047 11.522 1.00 0.00 C ATOM 333 O LYS A 25 4.916 1.435 12.355 1.00 0.00 O ATOM 334 CB LYS A 25 8.110 2.297 11.874 1.00 0.00 C ATOM 335 CG LYS A 25 8.016 3.808 11.650 1.00 0.00 C ATOM 336 CD LYS A 25 7.190 4.476 12.751 1.00 0.00 C ATOM 337 CE LYS A 25 7.981 4.556 14.057 1.00 0.00 C ATOM 338 NZ LYS A 25 7.111 5.018 15.162 1.00 0.00 N ATOM 0 H LYS A 25 7.473 2.590 9.382 1.00 0.00 H new ATOM 0 HA LYS A 25 7.057 0.521 11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.056 2.080 12.941 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.075 1.933 11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.017 4.239 11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.563 4.008 10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.900 5.478 12.436 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.270 3.914 12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.396 3.578 14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.822 5.239 13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.664 5.067 16.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.735 5.961 14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.322 4.351 15.285 1.00 0.00 H new ATOM 352 N ASN A 26 5.180 3.143 10.896 1.00 0.00 N ATOM 353 CA ASN A 26 3.871 3.716 11.158 1.00 0.00 C ATOM 354 C ASN A 26 2.815 2.954 10.356 1.00 0.00 C ATOM 355 O ASN A 26 2.997 2.700 9.166 1.00 0.00 O ATOM 356 CB ASN A 26 3.818 5.185 10.735 1.00 0.00 C ATOM 357 CG ASN A 26 3.992 6.110 11.940 1.00 0.00 C ATOM 358 OD1 ASN A 26 4.777 5.860 12.839 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.216 7.191 11.909 1.00 0.00 N ATOM 0 H ASN A 26 5.737 3.649 10.208 1.00 0.00 H new ATOM 0 HA ASN A 26 3.679 3.642 12.228 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.601 5.385 10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.865 5.392 10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.257 7.870 12.669 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.580 7.340 11.126 1.00 0.00 H new ATOM 366 N LEU A 27 1.733 2.608 11.040 1.00 0.00 N ATOM 367 CA LEU A 27 0.648 1.880 10.405 1.00 0.00 C ATOM 368 C LEU A 27 -0.523 2.832 10.157 1.00 0.00 C ATOM 369 O LEU A 27 -1.684 2.440 10.274 1.00 0.00 O ATOM 370 CB LEU A 27 0.275 0.648 11.232 1.00 0.00 C ATOM 371 CG LEU A 27 1.423 -0.302 11.577 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.264 -0.863 12.991 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.550 -1.411 10.532 1.00 0.00 C ATOM 0 H LEU A 27 1.585 2.819 12.027 1.00 0.00 H new ATOM 0 HA LEU A 27 0.961 1.500 9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.183 0.985 12.162 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.484 0.086 10.688 1.00 0.00 H new ATOM 0 HG LEU A 27 2.353 0.266 11.558 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.093 -1.535 13.211 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.261 -0.043 13.709 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.324 -1.411 13.062 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.374 -2.072 10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.623 -1.983 10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.744 -0.969 9.555 1.00 0.00 H new ATOM 385 N ASP A 28 -0.180 4.067 9.819 1.00 0.00 N ATOM 386 CA ASP A 28 -1.188 5.078 9.554 1.00 0.00 C ATOM 387 C ASP A 28 -0.515 6.322 8.968 1.00 0.00 C ATOM 388 O ASP A 28 -0.963 7.443 9.202 1.00 0.00 O ATOM 389 CB ASP A 28 -1.906 5.492 10.840 1.00 0.00 C ATOM 390 CG ASP A 28 -3.430 5.364 10.800 1.00 0.00 C ATOM 391 OD1 ASP A 28 -4.055 6.234 10.155 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.936 4.400 11.413 1.00 0.00 O ATOM 0 H ASP A 28 0.783 4.390 9.723 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.912 4.657 8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.527 4.884 11.662 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.649 6.527 11.064 1.00 0.00 H new ATOM 397 N LEU A 29 0.550 6.081 8.216 1.00 0.00 N ATOM 398 CA LEU A 29 1.288 7.167 7.595 1.00 0.00 C ATOM 399 C LEU A 29 0.715 7.437 6.203 1.00 0.00 C ATOM 400 O LEU A 29 1.046 6.741 5.245 1.00 0.00 O ATOM 401 CB LEU A 29 2.788 6.863 7.594 1.00 0.00 C ATOM 402 CG LEU A 29 3.718 8.077 7.617 1.00 0.00 C ATOM 403 CD1 LEU A 29 3.889 8.611 9.040 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.062 7.750 6.963 1.00 0.00 C ATOM 0 H LEU A 29 0.919 5.150 8.023 1.00 0.00 H new ATOM 0 HA LEU A 29 1.172 8.085 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.013 6.241 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.018 6.271 6.708 1.00 0.00 H new ATOM 0 HG LEU A 29 3.257 8.871 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.555 9.474 9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.918 8.908 9.436 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.316 7.832 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.705 8.630 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.540 6.933 7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.900 7.454 5.927 1.00 0.00 H new ATOM 416 N ASN A 30 -0.137 8.450 6.136 1.00 0.00 N ATOM 417 CA ASN A 30 -0.759 8.822 4.876 1.00 0.00 C ATOM 418 C ASN A 30 0.322 9.001 3.810 1.00 0.00 C ATOM 419 O ASN A 30 0.859 10.096 3.643 1.00 0.00 O ATOM 420 CB ASN A 30 -1.519 10.143 5.006 1.00 0.00 C ATOM 421 CG ASN A 30 -2.333 10.183 6.301 1.00 0.00 C ATOM 422 OD1 ASN A 30 -2.202 11.079 7.120 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.178 9.166 6.440 1.00 0.00 N ATOM 0 H ASN A 30 -0.411 9.024 6.933 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.456 8.031 4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.815 10.975 4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.183 10.270 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.767 9.102 7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.238 8.450 5.716 1.00 0.00 H new ATOM 430 N LEU A 31 0.612 7.910 3.117 1.00 0.00 N ATOM 431 CA LEU A 31 1.621 7.933 2.071 1.00 0.00 C ATOM 432 C LEU A 31 1.365 9.125 1.147 1.00 0.00 C ATOM 433 O LEU A 31 2.280 9.610 0.486 1.00 0.00 O ATOM 434 CB LEU A 31 1.668 6.589 1.341 1.00 0.00 C ATOM 435 CG LEU A 31 1.771 5.347 2.229 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.710 4.312 1.851 1.00 0.00 C ATOM 437 CD2 LEU A 31 3.184 4.760 2.190 1.00 0.00 C ATOM 0 H LEU A 31 0.166 7.004 3.259 1.00 0.00 H new ATOM 0 HA LEU A 31 2.613 8.070 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.771 6.500 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.520 6.597 0.661 1.00 0.00 H new ATOM 0 HG LEU A 31 1.575 5.647 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.806 3.440 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.282 4.747 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.849 4.011 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.230 3.879 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.433 4.479 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.897 5.504 2.546 1.00 0.00 H new ATOM 449 N PHE A 32 0.114 9.563 1.132 1.00 0.00 N ATOM 450 CA PHE A 32 -0.275 10.690 0.300 1.00 0.00 C ATOM 451 C PHE A 32 -0.066 12.014 1.038 1.00 0.00 C ATOM 452 O PHE A 32 0.502 12.954 0.484 1.00 0.00 O ATOM 453 CB PHE A 32 -1.763 10.522 -0.012 1.00 0.00 C ATOM 454 CG PHE A 32 -2.046 9.800 -1.331 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.828 10.435 -2.514 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.513 8.522 -1.320 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.089 9.763 -3.738 1.00 0.00 C ATOM 458 CE2 PHE A 32 -2.774 7.852 -2.544 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.557 8.487 -3.727 1.00 0.00 C ATOM 0 H PHE A 32 -0.643 9.158 1.683 1.00 0.00 H new ATOM 0 HA PHE A 32 0.331 10.711 -0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.234 9.969 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.231 11.506 -0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.457 11.449 -2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.685 8.018 -0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.915 10.266 -4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.145 6.838 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.757 7.977 -4.658 1.00 0.00 H new ATOM 469 N GLU A 33 -0.536 12.045 2.276 1.00 0.00 N ATOM 470 CA GLU A 33 -0.408 13.238 3.095 1.00 0.00 C ATOM 471 C GLU A 33 1.040 13.412 3.557 1.00 0.00 C ATOM 472 O GLU A 33 1.406 14.463 4.083 1.00 0.00 O ATOM 473 CB GLU A 33 -1.362 13.188 4.290 1.00 0.00 C ATOM 474 CG GLU A 33 -2.176 14.480 4.396 1.00 0.00 C ATOM 475 CD GLU A 33 -3.359 14.305 5.350 1.00 0.00 C ATOM 476 OE1 GLU A 33 -3.104 13.887 6.501 1.00 0.00 O ATOM 477 OE2 GLU A 33 -4.492 14.594 4.907 1.00 0.00 O ATOM 0 H GLU A 33 -1.006 11.263 2.732 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.682 14.102 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.035 12.337 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.794 13.036 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.536 15.289 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.539 14.767 3.409 1.00 0.00 H new ATOM 484 N THR A 34 1.825 12.366 3.344 1.00 0.00 N ATOM 485 CA THR A 34 3.225 12.390 3.733 1.00 0.00 C ATOM 486 C THR A 34 4.105 12.751 2.534 1.00 0.00 C ATOM 487 O THR A 34 5.259 13.140 2.702 1.00 0.00 O ATOM 488 CB THR A 34 3.567 11.033 4.351 1.00 0.00 C ATOM 489 OG1 THR A 34 3.205 10.091 3.344 1.00 0.00 O ATOM 490 CG2 THR A 34 2.662 10.682 5.533 1.00 0.00 C ATOM 0 H THR A 34 1.518 11.497 2.907 1.00 0.00 H new ATOM 0 HA THR A 34 3.415 13.161 4.480 1.00 0.00 H new ATOM 0 HB THR A 34 4.606 11.036 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.232 9.976 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.948 9.710 5.934 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.767 11.440 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.625 10.646 5.199 1.00 0.00 H new ATOM 498 N GLY A 35 3.525 12.610 1.352 1.00 0.00 N ATOM 499 CA GLY A 35 4.241 12.917 0.125 1.00 0.00 C ATOM 500 C GLY A 35 5.362 11.906 -0.122 1.00 0.00 C ATOM 501 O GLY A 35 6.436 12.269 -0.600 1.00 0.00 O ATOM 0 H GLY A 35 2.567 12.287 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.548 12.910 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.659 13.922 0.185 1.00 0.00 H new ATOM 505 N LEU A 36 5.076 10.657 0.215 1.00 0.00 N ATOM 506 CA LEU A 36 6.046 9.591 0.036 1.00 0.00 C ATOM 507 C LEU A 36 5.610 8.700 -1.129 1.00 0.00 C ATOM 508 O LEU A 36 6.424 7.979 -1.702 1.00 0.00 O ATOM 509 CB LEU A 36 6.256 8.831 1.347 1.00 0.00 C ATOM 510 CG LEU A 36 7.457 9.266 2.191 1.00 0.00 C ATOM 511 CD1 LEU A 36 7.284 8.841 3.650 1.00 0.00 C ATOM 512 CD2 LEU A 36 8.764 8.744 1.592 1.00 0.00 C ATOM 0 H LEU A 36 4.185 10.359 0.612 1.00 0.00 H new ATOM 0 HA LEU A 36 7.021 10.003 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.355 8.935 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.364 7.771 1.116 1.00 0.00 H new ATOM 0 HG LEU A 36 7.509 10.355 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.151 9.162 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.385 9.301 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.193 7.756 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.602 9.067 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.738 7.655 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.885 9.138 0.583 1.00 0.00 H new ATOM 524 N LEU A 37 4.326 8.779 -1.442 1.00 0.00 N ATOM 525 CA LEU A 37 3.771 7.989 -2.529 1.00 0.00 C ATOM 526 C LEU A 37 3.855 8.789 -3.831 1.00 0.00 C ATOM 527 O LEU A 37 4.226 9.961 -3.820 1.00 0.00 O ATOM 528 CB LEU A 37 2.354 7.524 -2.184 1.00 0.00 C ATOM 529 CG LEU A 37 2.175 6.020 -1.972 1.00 0.00 C ATOM 530 CD1 LEU A 37 0.718 5.681 -1.648 1.00 0.00 C ATOM 531 CD2 LEU A 37 2.693 5.231 -3.175 1.00 0.00 C ATOM 0 H LEU A 37 3.653 9.377 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 37 4.354 7.080 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.034 8.039 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.684 7.840 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 37 2.774 5.723 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.619 4.605 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.417 6.200 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.079 5.996 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.554 4.165 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.142 5.526 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.753 5.440 -3.318 1.00 0.00 H new ATOM 543 N ASP A 38 3.506 8.122 -4.920 1.00 0.00 N ATOM 544 CA ASP A 38 3.538 8.755 -6.228 1.00 0.00 C ATOM 545 C ASP A 38 2.233 8.455 -6.967 1.00 0.00 C ATOM 546 O ASP A 38 1.743 7.327 -6.938 1.00 0.00 O ATOM 547 CB ASP A 38 4.695 8.216 -7.073 1.00 0.00 C ATOM 548 CG ASP A 38 6.091 8.514 -6.524 1.00 0.00 C ATOM 549 OD1 ASP A 38 6.155 9.183 -5.469 1.00 0.00 O ATOM 550 OD2 ASP A 38 7.063 8.068 -7.171 1.00 0.00 O ATOM 0 H ASP A 38 3.199 7.149 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 38 3.668 9.827 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.582 7.136 -7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.618 8.636 -8.076 1.00 0.00 H new ATOM 555 N SER A 39 1.706 9.486 -7.613 1.00 0.00 N ATOM 556 CA SER A 39 0.467 9.347 -8.359 1.00 0.00 C ATOM 557 C SER A 39 0.485 8.048 -9.168 1.00 0.00 C ATOM 558 O SER A 39 -0.541 7.385 -9.307 1.00 0.00 O ATOM 559 CB SER A 39 0.244 10.544 -9.284 1.00 0.00 C ATOM 560 OG SER A 39 -0.313 10.156 -10.537 1.00 0.00 O ATOM 0 H SER A 39 2.115 10.420 -7.635 1.00 0.00 H new ATOM 0 HA SER A 39 -0.358 9.313 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.420 11.258 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.193 11.054 -9.452 1.00 0.00 H new ATOM 0 HG SER A 39 -0.441 10.949 -11.098 1.00 0.00 H new ATOM 566 N MET A 40 1.663 7.723 -9.679 1.00 0.00 N ATOM 567 CA MET A 40 1.829 6.516 -10.470 1.00 0.00 C ATOM 568 C MET A 40 2.258 5.339 -9.591 1.00 0.00 C ATOM 569 O MET A 40 2.052 4.182 -9.953 1.00 0.00 O ATOM 570 CB MET A 40 2.882 6.755 -11.554 1.00 0.00 C ATOM 571 CG MET A 40 2.731 5.749 -12.696 1.00 0.00 C ATOM 572 SD MET A 40 2.153 6.578 -14.168 1.00 0.00 S ATOM 573 CE MET A 40 0.416 6.175 -14.088 1.00 0.00 C ATOM 0 H MET A 40 2.512 8.275 -9.560 1.00 0.00 H new ATOM 0 HA MET A 40 0.872 6.272 -10.930 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.785 7.769 -11.943 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.879 6.673 -11.122 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.687 5.264 -12.893 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.029 4.965 -12.411 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.100 6.618 -14.940 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.292 5.092 -14.112 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.007 6.568 -13.163 1.00 0.00 H new ATOM 583 N GLY A 41 2.848 5.676 -8.454 1.00 0.00 N ATOM 584 CA GLY A 41 3.308 4.663 -7.520 1.00 0.00 C ATOM 585 C GLY A 41 2.157 3.755 -7.085 1.00 0.00 C ATOM 586 O GLY A 41 2.144 2.566 -7.402 1.00 0.00 O ATOM 0 H GLY A 41 3.018 6.637 -8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.092 4.065 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.748 5.143 -6.646 1.00 0.00 H new ATOM 590 N THR A 42 1.218 4.349 -6.364 1.00 0.00 N ATOM 591 CA THR A 42 0.064 3.608 -5.882 1.00 0.00 C ATOM 592 C THR A 42 -0.434 2.638 -6.955 1.00 0.00 C ATOM 593 O THR A 42 -0.792 1.501 -6.652 1.00 0.00 O ATOM 594 CB THR A 42 -0.995 4.619 -5.438 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.293 4.243 -4.096 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.323 4.441 -6.178 1.00 0.00 C ATOM 0 H THR A 42 1.232 5.335 -6.102 1.00 0.00 H new ATOM 0 HA THR A 42 0.323 2.988 -5.024 1.00 0.00 H new ATOM 0 HB THR A 42 -0.622 5.630 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.971 4.848 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.039 5.183 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.163 4.571 -7.248 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.714 3.441 -5.989 1.00 0.00 H new ATOM 604 N VAL A 43 -0.443 3.124 -8.188 1.00 0.00 N ATOM 605 CA VAL A 43 -0.892 2.315 -9.308 1.00 0.00 C ATOM 606 C VAL A 43 -0.014 1.065 -9.412 1.00 0.00 C ATOM 607 O VAL A 43 -0.524 -0.051 -9.483 1.00 0.00 O ATOM 608 CB VAL A 43 -0.896 3.150 -10.590 1.00 0.00 C ATOM 609 CG1 VAL A 43 -1.274 2.295 -11.800 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.832 4.353 -10.456 1.00 0.00 C ATOM 0 H VAL A 43 -0.146 4.068 -8.436 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.918 1.981 -9.151 1.00 0.00 H new ATOM 0 HB VAL A 43 0.115 3.526 -10.748 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.269 2.913 -12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.553 1.485 -11.913 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.270 1.876 -11.653 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.817 4.930 -11.380 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.847 4.005 -10.262 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.500 4.982 -9.630 1.00 0.00 H new ATOM 620 N GLN A 44 1.291 1.297 -9.420 1.00 0.00 N ATOM 621 CA GLN A 44 2.243 0.203 -9.515 1.00 0.00 C ATOM 622 C GLN A 44 2.049 -0.773 -8.353 1.00 0.00 C ATOM 623 O GLN A 44 1.979 -1.983 -8.560 1.00 0.00 O ATOM 624 CB GLN A 44 3.680 0.730 -9.553 1.00 0.00 C ATOM 625 CG GLN A 44 4.648 -0.355 -10.028 1.00 0.00 C ATOM 626 CD GLN A 44 5.779 0.247 -10.864 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.434 1.201 -10.475 1.00 0.00 O ATOM 628 NE2 GLN A 44 5.971 -0.360 -12.032 1.00 0.00 N ATOM 0 H GLN A 44 1.711 2.225 -9.362 1.00 0.00 H new ATOM 0 HA GLN A 44 2.060 -0.332 -10.447 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.738 1.591 -10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.972 1.074 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.066 -0.877 -9.167 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.109 -1.095 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.387 -1.153 -12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.702 -0.032 -12.663 1.00 0.00 H new ATOM 637 N LEU A 45 1.966 -0.210 -7.156 1.00 0.00 N ATOM 638 CA LEU A 45 1.781 -1.016 -5.961 1.00 0.00 C ATOM 639 C LEU A 45 0.671 -2.040 -6.209 1.00 0.00 C ATOM 640 O LEU A 45 0.770 -3.186 -5.774 1.00 0.00 O ATOM 641 CB LEU A 45 1.532 -0.121 -4.745 1.00 0.00 C ATOM 642 CG LEU A 45 0.215 -0.350 -4.002 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.140 -1.772 -3.442 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.008 0.706 -2.915 1.00 0.00 C ATOM 0 H LEU A 45 2.023 0.794 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 45 2.688 -1.577 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.352 -0.262 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.566 0.919 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.602 -0.242 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.807 -1.907 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.208 -2.489 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.965 -1.934 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.936 0.520 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.827 0.655 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.015 1.696 -3.370 1.00 0.00 H new ATOM 656 N LEU A 46 -0.361 -1.588 -6.907 1.00 0.00 N ATOM 657 CA LEU A 46 -1.488 -2.451 -7.217 1.00 0.00 C ATOM 658 C LEU A 46 -1.013 -3.608 -8.097 1.00 0.00 C ATOM 659 O LEU A 46 -1.474 -4.739 -7.945 1.00 0.00 O ATOM 660 CB LEU A 46 -2.631 -1.639 -7.833 1.00 0.00 C ATOM 661 CG LEU A 46 -3.897 -1.514 -6.984 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.944 -0.646 -7.687 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.450 -2.892 -6.616 1.00 0.00 C ATOM 0 H LEU A 46 -0.440 -0.637 -7.266 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.893 -2.890 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.262 -0.636 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.900 -2.093 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.635 -1.013 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.835 -0.573 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.536 0.351 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.208 -1.097 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.350 -2.774 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.693 -3.441 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.702 -3.444 -6.047 1.00 0.00 H new ATOM 675 N LEU A 47 -0.095 -3.286 -8.998 1.00 0.00 N ATOM 676 CA LEU A 47 0.448 -4.286 -9.902 1.00 0.00 C ATOM 677 C LEU A 47 1.130 -5.388 -9.088 1.00 0.00 C ATOM 678 O LEU A 47 1.023 -6.567 -9.422 1.00 0.00 O ATOM 679 CB LEU A 47 1.363 -3.630 -10.937 1.00 0.00 C ATOM 680 CG LEU A 47 1.205 -4.118 -12.379 1.00 0.00 C ATOM 681 CD1 LEU A 47 1.669 -5.569 -12.521 1.00 0.00 C ATOM 682 CD2 LEU A 47 -0.232 -3.925 -12.868 1.00 0.00 C ATOM 0 H LEU A 47 0.286 -2.348 -9.121 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.352 -4.760 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.188 -2.554 -10.917 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.397 -3.790 -10.632 1.00 0.00 H new ATOM 0 HG LEU A 47 1.847 -3.511 -13.018 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.546 -5.891 -13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.719 -5.644 -12.240 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.072 -6.207 -11.869 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.318 -4.280 -13.895 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.912 -4.491 -12.231 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.491 -2.867 -12.827 1.00 0.00 H new ATOM 694 N GLU A 48 1.815 -4.964 -8.036 1.00 0.00 N ATOM 695 CA GLU A 48 2.513 -5.900 -7.172 1.00 0.00 C ATOM 696 C GLU A 48 1.524 -6.598 -6.236 1.00 0.00 C ATOM 697 O GLU A 48 1.775 -7.715 -5.784 1.00 0.00 O ATOM 698 CB GLU A 48 3.615 -5.195 -6.377 1.00 0.00 C ATOM 699 CG GLU A 48 5.001 -5.600 -6.884 1.00 0.00 C ATOM 700 CD GLU A 48 5.719 -4.411 -7.525 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.173 -3.538 -6.753 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.799 -4.401 -8.772 1.00 0.00 O ATOM 0 H GLU A 48 1.901 -3.985 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 48 2.988 -6.656 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.494 -4.115 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.523 -5.445 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.596 -5.986 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.905 -6.406 -7.611 1.00 0.00 H new ATOM 709 N LEU A 49 0.421 -5.913 -5.975 1.00 0.00 N ATOM 710 CA LEU A 49 -0.607 -6.454 -5.102 1.00 0.00 C ATOM 711 C LEU A 49 -1.523 -7.375 -5.910 1.00 0.00 C ATOM 712 O LEU A 49 -2.349 -8.089 -5.342 1.00 0.00 O ATOM 713 CB LEU A 49 -1.349 -5.325 -4.384 1.00 0.00 C ATOM 714 CG LEU A 49 -0.692 -4.798 -3.106 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.665 -3.925 -2.311 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.132 -5.945 -2.264 1.00 0.00 C ATOM 0 H LEU A 49 0.216 -4.988 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.158 -7.060 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.465 -4.493 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.351 -5.675 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 49 0.150 -4.167 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.174 -3.563 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.974 -3.076 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.541 -4.513 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.329 -5.543 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.940 -6.622 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.615 -6.489 -2.842 1.00 0.00 H new ATOM 728 N GLN A 50 -1.346 -7.330 -7.222 1.00 0.00 N ATOM 729 CA GLN A 50 -2.148 -8.152 -8.114 1.00 0.00 C ATOM 730 C GLN A 50 -1.263 -9.175 -8.830 1.00 0.00 C ATOM 731 O GLN A 50 -1.686 -9.789 -9.808 1.00 0.00 O ATOM 732 CB GLN A 50 -2.910 -7.287 -9.119 1.00 0.00 C ATOM 733 CG GLN A 50 -3.921 -8.124 -9.906 1.00 0.00 C ATOM 734 CD GLN A 50 -5.000 -7.236 -10.529 1.00 0.00 C ATOM 735 OE1 GLN A 50 -4.919 -6.827 -11.676 1.00 0.00 O ATOM 736 NE2 GLN A 50 -6.013 -6.963 -9.713 1.00 0.00 N ATOM 0 H GLN A 50 -0.660 -6.738 -7.689 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.884 -8.691 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.427 -6.484 -8.594 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.207 -6.817 -9.807 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.406 -8.681 -10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.385 -8.857 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.019 -7.337 -8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.785 -6.379 -10.036 1.00 0.00 H new ATOM 745 N SER A 51 -0.051 -9.326 -8.316 1.00 0.00 N ATOM 746 CA SER A 51 0.895 -10.264 -8.893 1.00 0.00 C ATOM 747 C SER A 51 1.255 -11.342 -7.869 1.00 0.00 C ATOM 748 O SER A 51 1.126 -12.533 -8.144 1.00 0.00 O ATOM 749 CB SER A 51 2.159 -9.546 -9.374 1.00 0.00 C ATOM 750 OG SER A 51 2.974 -10.386 -10.184 1.00 0.00 O ATOM 0 H SER A 51 0.297 -8.814 -7.506 1.00 0.00 H new ATOM 0 HA SER A 51 0.425 -10.735 -9.757 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.878 -8.658 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.733 -9.206 -8.512 1.00 0.00 H new ATOM 0 HG SER A 51 3.769 -9.891 -10.472 1.00 0.00 H new ATOM 756 N GLN A 52 1.702 -10.885 -6.708 1.00 0.00 N ATOM 757 CA GLN A 52 2.082 -11.796 -5.642 1.00 0.00 C ATOM 758 C GLN A 52 0.872 -12.114 -4.760 1.00 0.00 C ATOM 759 O GLN A 52 0.847 -13.141 -4.082 1.00 0.00 O ATOM 760 CB GLN A 52 3.229 -11.218 -4.809 1.00 0.00 C ATOM 761 CG GLN A 52 4.477 -11.007 -5.669 1.00 0.00 C ATOM 762 CD GLN A 52 5.471 -12.156 -5.484 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.267 -13.267 -5.942 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.555 -11.826 -4.788 1.00 0.00 N ATOM 0 H GLN A 52 1.809 -9.896 -6.483 1.00 0.00 H new ATOM 0 HA GLN A 52 2.435 -12.724 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.922 -10.270 -4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.461 -11.892 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.192 -10.934 -6.718 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.952 -10.063 -5.401 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.663 -10.876 -4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.278 -12.523 -4.610 1.00 0.00 H new ATOM 773 N PHE A 53 -0.100 -11.216 -4.797 1.00 0.00 N ATOM 774 CA PHE A 53 -1.309 -11.389 -4.009 1.00 0.00 C ATOM 775 C PHE A 53 -2.543 -11.469 -4.912 1.00 0.00 C ATOM 776 O PHE A 53 -3.633 -11.805 -4.450 1.00 0.00 O ATOM 777 CB PHE A 53 -1.433 -10.162 -3.104 1.00 0.00 C ATOM 778 CG PHE A 53 -0.101 -9.679 -2.525 1.00 0.00 C ATOM 779 CD1 PHE A 53 0.799 -9.048 -3.324 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.181 -9.883 -1.210 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.035 -8.600 -2.787 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.417 -9.436 -0.672 1.00 0.00 C ATOM 783 CZ PHE A 53 2.317 -8.804 -1.472 1.00 0.00 C ATOM 0 H PHE A 53 -0.076 -10.366 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.250 -12.313 -3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.887 -9.349 -3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.111 -10.396 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.574 -8.887 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.535 -10.385 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.750 -8.098 -3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.642 -9.598 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.257 -8.464 -1.063 1.00 0.00 H new ATOM 793 N GLY A 54 -2.332 -11.154 -6.180 1.00 0.00 N ATOM 794 CA GLY A 54 -3.412 -11.186 -7.150 1.00 0.00 C ATOM 795 C GLY A 54 -4.649 -10.458 -6.617 1.00 0.00 C ATOM 796 O GLY A 54 -5.778 -10.872 -6.879 1.00 0.00 O ATOM 0 H GLY A 54 -1.427 -10.875 -6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.084 -10.721 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.666 -12.220 -7.383 1.00 0.00 H new ATOM 800 N VAL A 55 -4.395 -9.388 -5.880 1.00 0.00 N ATOM 801 CA VAL A 55 -5.472 -8.599 -5.307 1.00 0.00 C ATOM 802 C VAL A 55 -6.591 -8.446 -6.341 1.00 0.00 C ATOM 803 O VAL A 55 -6.346 -8.532 -7.544 1.00 0.00 O ATOM 804 CB VAL A 55 -4.932 -7.258 -4.809 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.438 -6.398 -5.975 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.986 -6.513 -3.987 1.00 0.00 C ATOM 0 H VAL A 55 -3.457 -9.048 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.896 -9.105 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.081 -7.461 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.059 -5.450 -5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.640 -6.922 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.262 -6.209 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.576 -5.563 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.865 -6.328 -4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.269 -7.117 -3.125 1.00 0.00 H new ATOM 816 N ASP A 56 -7.794 -8.223 -5.834 1.00 0.00 N ATOM 817 CA ASP A 56 -8.951 -8.058 -6.699 1.00 0.00 C ATOM 818 C ASP A 56 -9.583 -6.689 -6.441 1.00 0.00 C ATOM 819 O ASP A 56 -10.791 -6.588 -6.233 1.00 0.00 O ATOM 820 CB ASP A 56 -10.007 -9.127 -6.415 1.00 0.00 C ATOM 821 CG ASP A 56 -9.922 -10.372 -7.302 1.00 0.00 C ATOM 822 OD1 ASP A 56 -10.019 -10.196 -8.536 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.762 -11.469 -6.726 1.00 0.00 O ATOM 0 H ASP A 56 -7.993 -8.153 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.616 -8.148 -7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.920 -9.435 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.995 -8.681 -6.534 1.00 0.00 H new ATOM 828 N ALA A 57 -8.737 -5.668 -6.463 1.00 0.00 N ATOM 829 CA ALA A 57 -9.198 -4.309 -6.234 1.00 0.00 C ATOM 830 C ALA A 57 -9.185 -3.541 -7.558 1.00 0.00 C ATOM 831 O ALA A 57 -8.416 -3.868 -8.461 1.00 0.00 O ATOM 832 CB ALA A 57 -8.325 -3.646 -5.167 1.00 0.00 C ATOM 0 H ALA A 57 -7.736 -5.755 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.223 -4.309 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.671 -2.627 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.392 -4.213 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.289 -3.625 -5.506 1.00 0.00 H new ATOM 838 N PRO A 58 -10.067 -2.510 -7.632 1.00 0.00 N ATOM 839 CA PRO A 58 -10.164 -1.693 -8.829 1.00 0.00 C ATOM 840 C PRO A 58 -8.977 -0.732 -8.935 1.00 0.00 C ATOM 841 O PRO A 58 -8.206 -0.586 -7.989 1.00 0.00 O ATOM 842 CB PRO A 58 -11.500 -0.976 -8.710 1.00 0.00 C ATOM 843 CG PRO A 58 -11.887 -1.058 -7.243 1.00 0.00 C ATOM 844 CD PRO A 58 -10.993 -2.094 -6.581 1.00 0.00 C ATOM 0 HA PRO A 58 -10.124 -2.283 -9.745 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.417 0.061 -9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.254 -1.448 -9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.767 -0.087 -6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.936 -1.337 -7.140 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.461 -1.671 -5.729 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.574 -2.938 -6.208 1.00 0.00 H new ATOM 852 N VAL A 59 -8.870 -0.099 -10.095 1.00 0.00 N ATOM 853 CA VAL A 59 -7.792 0.843 -10.336 1.00 0.00 C ATOM 854 C VAL A 59 -8.379 2.169 -10.824 1.00 0.00 C ATOM 855 O VAL A 59 -7.975 3.237 -10.366 1.00 0.00 O ATOM 856 CB VAL A 59 -6.780 0.242 -11.314 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.649 1.229 -11.609 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.228 -1.084 -10.784 1.00 0.00 C ATOM 0 H VAL A 59 -9.513 -0.221 -10.877 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.250 1.047 -9.413 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.299 0.039 -12.251 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.944 0.777 -12.306 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.063 2.136 -12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.133 1.478 -10.682 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.511 -1.491 -11.497 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.733 -0.916 -9.828 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.047 -1.791 -10.649 1.00 0.00 H new ATOM 868 N SER A 60 -9.322 2.057 -11.748 1.00 0.00 N ATOM 869 CA SER A 60 -9.969 3.235 -12.303 1.00 0.00 C ATOM 870 C SER A 60 -10.202 4.272 -11.202 1.00 0.00 C ATOM 871 O SER A 60 -9.887 5.448 -11.376 1.00 0.00 O ATOM 872 CB SER A 60 -11.292 2.869 -12.978 1.00 0.00 C ATOM 873 OG SER A 60 -11.964 1.812 -12.299 1.00 0.00 O ATOM 0 H SER A 60 -9.654 1.170 -12.126 1.00 0.00 H new ATOM 0 HA SER A 60 -9.312 3.662 -13.061 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.937 3.747 -13.010 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.103 2.574 -14.010 1.00 0.00 H new ATOM 0 HG SER A 60 -12.805 1.609 -12.760 1.00 0.00 H new ATOM 879 N GLU A 61 -10.753 3.797 -10.095 1.00 0.00 N ATOM 880 CA GLU A 61 -11.033 4.669 -8.966 1.00 0.00 C ATOM 881 C GLU A 61 -10.975 3.877 -7.657 1.00 0.00 C ATOM 882 O GLU A 61 -12.010 3.493 -7.114 1.00 0.00 O ATOM 883 CB GLU A 61 -12.388 5.360 -9.129 1.00 0.00 C ATOM 884 CG GLU A 61 -12.212 6.861 -9.368 1.00 0.00 C ATOM 885 CD GLU A 61 -12.377 7.203 -10.850 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.155 6.485 -11.515 1.00 0.00 O ATOM 887 OE2 GLU A 61 -11.723 8.175 -11.284 1.00 0.00 O ATOM 0 H GLU A 61 -11.013 2.821 -9.955 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.269 5.445 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.929 4.916 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.992 5.199 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.944 7.415 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.225 7.174 -9.026 1.00 0.00 H new ATOM 894 N PHE A 62 -9.756 3.657 -7.189 1.00 0.00 N ATOM 895 CA PHE A 62 -9.550 2.918 -5.954 1.00 0.00 C ATOM 896 C PHE A 62 -9.629 3.846 -4.741 1.00 0.00 C ATOM 897 O PHE A 62 -9.275 5.020 -4.830 1.00 0.00 O ATOM 898 CB PHE A 62 -8.149 2.309 -6.027 1.00 0.00 C ATOM 899 CG PHE A 62 -7.047 3.318 -6.359 1.00 0.00 C ATOM 900 CD1 PHE A 62 -6.603 4.178 -5.405 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.514 3.354 -7.611 1.00 0.00 C ATOM 902 CE1 PHE A 62 -5.581 5.115 -5.714 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.493 4.291 -7.919 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.047 5.152 -6.965 1.00 0.00 C ATOM 0 H PHE A 62 -8.900 3.977 -7.642 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.320 2.154 -5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.919 1.837 -5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.145 1.522 -6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.027 4.149 -4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.867 2.671 -8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.228 5.798 -4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.070 4.320 -8.912 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.270 5.864 -7.200 1.00 0.00 H new ATOM 914 N ASP A 63 -10.094 3.284 -3.635 1.00 0.00 N ATOM 915 CA ASP A 63 -10.223 4.046 -2.405 1.00 0.00 C ATOM 916 C ASP A 63 -8.839 4.521 -1.957 1.00 0.00 C ATOM 917 O ASP A 63 -8.157 3.832 -1.200 1.00 0.00 O ATOM 918 CB ASP A 63 -10.813 3.187 -1.285 1.00 0.00 C ATOM 919 CG ASP A 63 -10.875 3.865 0.086 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.111 4.838 0.272 1.00 0.00 O ATOM 921 OD2 ASP A 63 -11.683 3.396 0.916 1.00 0.00 O ATOM 0 H ASP A 63 -10.386 2.309 -3.565 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.884 4.890 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.821 2.886 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.222 2.276 -1.197 1.00 0.00 H new ATOM 926 N ARG A 64 -8.466 5.696 -2.444 1.00 0.00 N ATOM 927 CA ARG A 64 -7.177 6.271 -2.102 1.00 0.00 C ATOM 928 C ARG A 64 -6.971 6.253 -0.586 1.00 0.00 C ATOM 929 O ARG A 64 -5.867 5.993 -0.110 1.00 0.00 O ATOM 930 CB ARG A 64 -7.066 7.712 -2.607 1.00 0.00 C ATOM 931 CG ARG A 64 -6.737 7.745 -4.102 1.00 0.00 C ATOM 932 CD ARG A 64 -5.280 8.152 -4.333 1.00 0.00 C ATOM 933 NE ARG A 64 -5.013 9.460 -3.694 1.00 0.00 N ATOM 934 CZ ARG A 64 -5.241 10.643 -4.281 1.00 0.00 C ATOM 935 NH1 ARG A 64 -5.743 10.690 -5.523 1.00 0.00 N ATOM 936 NH2 ARG A 64 -4.968 11.779 -3.625 1.00 0.00 N ATOM 0 H ARG A 64 -9.034 6.265 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.407 5.668 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.003 8.238 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.292 8.238 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.918 6.763 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.399 8.447 -4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.613 7.394 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.075 8.212 -5.402 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.632 9.461 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.952 9.825 -6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.916 11.591 -5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.587 11.743 -2.680 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.141 12.680 -4.071 1.00 0.00 H new ATOM 950 N LYS A 65 -8.051 6.531 0.129 1.00 0.00 N ATOM 951 CA LYS A 65 -8.002 6.550 1.581 1.00 0.00 C ATOM 952 C LYS A 65 -7.550 5.180 2.089 1.00 0.00 C ATOM 953 O LYS A 65 -6.883 5.084 3.118 1.00 0.00 O ATOM 954 CB LYS A 65 -9.345 7.006 2.156 1.00 0.00 C ATOM 955 CG LYS A 65 -9.525 6.507 3.591 1.00 0.00 C ATOM 956 CD LYS A 65 -10.152 7.589 4.472 1.00 0.00 C ATOM 957 CE LYS A 65 -9.074 8.448 5.137 1.00 0.00 C ATOM 958 NZ LYS A 65 -9.437 8.737 6.542 1.00 0.00 N ATOM 0 H LYS A 65 -8.965 6.745 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.269 7.278 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.403 8.094 2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.157 6.632 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.157 5.619 3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.559 6.213 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.805 8.221 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.775 7.125 5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.115 7.931 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.953 9.381 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.695 9.321 6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.342 9.249 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.529 7.844 7.067 1.00 0.00 H new ATOM 972 N GLU A 66 -7.930 4.152 1.343 1.00 0.00 N ATOM 973 CA GLU A 66 -7.571 2.792 1.706 1.00 0.00 C ATOM 974 C GLU A 66 -6.175 2.453 1.179 1.00 0.00 C ATOM 975 O GLU A 66 -5.480 1.613 1.749 1.00 0.00 O ATOM 976 CB GLU A 66 -8.609 1.794 1.188 1.00 0.00 C ATOM 977 CG GLU A 66 -8.166 0.354 1.452 1.00 0.00 C ATOM 978 CD GLU A 66 -9.339 -0.617 1.303 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.026 -0.521 0.263 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.522 -1.432 2.232 1.00 0.00 O ATOM 0 H GLU A 66 -8.482 4.234 0.490 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.556 2.719 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.568 1.978 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.758 1.942 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.372 0.081 0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.750 0.276 2.457 1.00 0.00 H new ATOM 987 N TRP A 67 -5.806 3.123 0.097 1.00 0.00 N ATOM 988 CA TRP A 67 -4.506 2.903 -0.512 1.00 0.00 C ATOM 989 C TRP A 67 -3.598 4.071 -0.123 1.00 0.00 C ATOM 990 O TRP A 67 -2.613 4.350 -0.804 1.00 0.00 O ATOM 991 CB TRP A 67 -4.634 2.724 -2.027 1.00 0.00 C ATOM 992 CG TRP A 67 -5.655 1.664 -2.444 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.910 1.854 -2.874 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.457 0.235 -2.453 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.533 0.655 -3.160 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.622 -0.359 -2.895 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.331 -0.530 -2.101 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.773 -1.746 -3.025 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.499 -1.913 -2.236 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.664 -2.528 -2.679 1.00 0.00 C ATOM 0 H TRP A 67 -6.385 3.819 -0.373 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.060 1.978 -0.146 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.914 3.678 -2.473 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.659 2.455 -2.434 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.375 2.822 -2.983 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.486 0.536 -3.503 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.410 -0.086 -1.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.695 -2.188 -3.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.664 -2.547 -1.978 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.714 -3.604 -2.756 1.00 0.00 H new ATOM 1011 N ASP A 68 -3.961 4.722 0.973 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.192 5.853 1.461 1.00 0.00 C ATOM 1013 C ASP A 68 -2.353 5.413 2.662 1.00 0.00 C ATOM 1014 O ASP A 68 -1.280 5.962 2.909 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.111 6.989 1.917 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.531 7.891 3.008 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.709 8.761 2.648 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -3.923 7.690 4.178 1.00 0.00 O ATOM 0 H ASP A 68 -4.778 4.487 1.537 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.559 6.206 0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.360 7.604 1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.044 6.558 2.281 1.00 0.00 H new ATOM 1023 N THR A 69 -2.873 4.427 3.378 1.00 0.00 N ATOM 1024 CA THR A 69 -2.186 3.907 4.547 1.00 0.00 C ATOM 1025 C THR A 69 -1.759 2.456 4.315 1.00 0.00 C ATOM 1026 O THR A 69 -2.346 1.758 3.490 1.00 0.00 O ATOM 1027 CB THR A 69 -3.108 4.083 5.755 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.418 4.054 5.198 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.998 5.477 6.378 1.00 0.00 C ATOM 0 H THR A 69 -3.763 3.974 3.170 1.00 0.00 H new ATOM 0 HA THR A 69 -1.265 4.456 4.740 1.00 0.00 H new ATOM 0 HB THR A 69 -2.870 3.330 6.506 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.049 4.467 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.673 5.549 7.231 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.974 5.647 6.710 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.269 6.229 5.637 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.713 2.036 5.075 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.202 0.681 4.959 1.00 0.00 C ATOM 1039 C PRO A 70 -1.141 -0.319 5.636 1.00 0.00 C ATOM 1040 O PRO A 70 -1.242 -1.468 5.208 1.00 0.00 O ATOM 1041 CB PRO A 70 1.178 0.725 5.597 1.00 0.00 C ATOM 1042 CG PRO A 70 1.199 1.979 6.457 1.00 0.00 C ATOM 1043 CD PRO A 70 0.007 2.835 6.061 1.00 0.00 C ATOM 0 HA PRO A 70 -0.138 0.343 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.358 -0.165 6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.959 0.759 4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.147 1.718 7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.129 2.528 6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.621 3.061 6.922 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.327 3.789 5.641 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.804 0.153 6.681 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.731 -0.685 7.421 1.00 0.00 C ATOM 1053 C ASN A 71 -3.966 -0.958 6.558 1.00 0.00 C ATOM 1054 O ASN A 71 -4.399 -2.102 6.431 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.195 0.006 8.705 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.630 -0.697 9.940 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.085 -1.787 9.872 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.789 -0.015 11.071 1.00 0.00 N ATOM 0 H ASN A 71 -1.717 1.106 7.033 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.217 -1.612 7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.876 1.048 8.697 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.284 0.007 8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.446 -0.400 11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.254 0.893 11.058 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.497 0.114 5.987 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.672 0.005 5.141 1.00 0.00 C ATOM 1067 C LYS A 72 -5.352 -0.894 3.944 1.00 0.00 C ATOM 1068 O LYS A 72 -6.230 -1.585 3.430 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.180 1.393 4.748 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.434 1.763 5.543 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.700 3.269 5.480 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.553 3.908 6.862 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.564 3.364 7.796 1.00 0.00 N ATOM 0 H LYS A 72 -4.135 1.061 6.094 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.490 -0.467 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.400 2.134 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.402 1.414 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.293 1.222 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.314 1.454 6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.004 3.736 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.704 3.449 5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.552 3.721 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.667 4.989 6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.784 4.075 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.430 3.127 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.190 2.507 8.252 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.093 -0.854 3.535 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.645 -1.655 2.409 1.00 0.00 C ATOM 1089 C ILE A 73 -3.372 -3.084 2.882 1.00 0.00 C ATOM 1090 O ILE A 73 -3.920 -4.040 2.334 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.448 -0.995 1.722 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.868 0.290 1.004 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.746 -1.975 0.780 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.659 0.987 0.377 1.00 0.00 C ATOM 0 H ILE A 73 -3.368 -0.279 3.964 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.425 -1.713 1.650 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.726 -0.714 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.599 0.056 0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.355 0.963 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.899 -1.480 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.392 -2.835 1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.447 -2.309 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.985 1.897 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.941 1.241 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.189 0.320 -0.346 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.523 -3.186 3.895 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.171 -4.482 4.448 1.00 0.00 C ATOM 1108 C ILE A 74 -3.442 -5.305 4.660 1.00 0.00 C ATOM 1109 O ILE A 74 -3.404 -6.534 4.625 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.329 -4.313 5.715 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.158 -4.193 5.374 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.600 -5.443 6.709 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.973 -3.790 6.604 1.00 0.00 C ATOM 0 H ILE A 74 -2.069 -2.392 4.347 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.546 -5.037 3.748 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.624 -3.382 6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.524 -5.144 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.295 -3.454 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.989 -5.298 7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.654 -5.438 6.987 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.351 -6.399 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.026 -3.712 6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.621 -2.827 6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.853 -4.543 7.383 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.539 -4.595 4.877 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.820 -5.243 5.096 1.00 0.00 C ATOM 1127 C ALA A 75 -6.425 -5.637 3.745 1.00 0.00 C ATOM 1128 O ALA A 75 -7.001 -6.715 3.610 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.735 -4.313 5.895 1.00 0.00 C ATOM 0 H ALA A 75 -4.567 -3.576 4.906 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.693 -6.155 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.696 -4.801 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.274 -4.087 6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.888 -3.388 5.340 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.273 -4.741 2.782 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.797 -4.980 1.448 1.00 0.00 C ATOM 1137 C LYS A 76 -6.096 -6.197 0.840 1.00 0.00 C ATOM 1138 O LYS A 76 -6.717 -6.985 0.130 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.685 -3.716 0.593 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.704 -3.733 -0.548 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.132 -3.828 -0.007 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.146 -3.370 -1.057 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.462 -4.004 -0.816 1.00 0.00 N ATOM 0 H LYS A 76 -5.794 -3.848 2.899 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.861 -5.213 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.846 -2.836 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.678 -3.637 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.598 -2.829 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.504 -4.578 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.346 -4.856 0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.227 -3.214 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.247 -2.285 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.788 -3.628 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.139 -3.683 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.364 -5.038 -0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.808 -3.737 0.128 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.810 -6.311 1.142 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.018 -7.419 0.635 1.00 0.00 C ATOM 1159 C VAL A 77 -4.486 -8.718 1.293 1.00 0.00 C ATOM 1160 O VAL A 77 -4.597 -9.749 0.630 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.529 -7.141 0.854 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.670 -8.253 0.252 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.137 -5.775 0.286 1.00 0.00 C ATOM 0 H VAL A 77 -4.298 -5.655 1.731 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.160 -7.529 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.346 -7.121 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.616 -8.031 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.921 -9.203 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.859 -8.319 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.074 -5.602 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.343 -5.753 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.715 -4.995 0.782 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.747 -8.628 2.590 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.200 -9.784 3.343 1.00 0.00 C ATOM 1175 C GLU A 78 -6.638 -10.138 2.960 1.00 0.00 C ATOM 1176 O GLU A 78 -7.031 -11.302 3.016 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.079 -9.538 4.849 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.613 -9.522 5.286 1.00 0.00 C ATOM 1179 CD GLU A 78 -2.964 -10.893 5.078 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.363 -11.826 5.807 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.086 -10.975 4.193 1.00 0.00 O ATOM 0 H GLU A 78 -4.653 -7.772 3.137 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.560 -10.630 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.549 -8.588 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.616 -10.316 5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.069 -8.768 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.546 -9.239 6.337 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.385 -9.111 2.578 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.770 -9.300 2.185 1.00 0.00 C ATOM 1190 C GLN A 79 -8.864 -9.571 0.682 1.00 0.00 C ATOM 1191 O GLN A 79 -9.911 -9.358 0.073 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.622 -8.089 2.577 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.448 -8.384 3.830 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.412 -7.202 4.801 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -11.183 -6.260 4.701 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -9.479 -7.302 5.742 1.00 0.00 N ATOM 0 H GLN A 79 -7.056 -8.146 2.533 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.162 -10.167 2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.977 -7.229 2.756 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.285 -7.824 1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.479 -8.597 3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.062 -9.276 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.867 -8.117 5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.375 -6.563 6.438 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.755 -10.038 0.128 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.699 -10.341 -1.293 1.00 0.00 C ATOM 1207 C ALA A 80 -7.422 -11.834 -1.481 1.00 0.00 C ATOM 1208 O ALA A 80 -8.047 -12.484 -2.317 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.638 -9.463 -1.960 1.00 0.00 C ATOM 0 H ALA A 80 -6.888 -10.214 0.636 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.653 -10.120 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.595 -9.690 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.896 -8.413 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.666 -9.660 -1.508 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.484 -12.334 -0.689 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.118 -13.738 -0.758 1.00 0.00 C ATOM 1217 C GLN A 81 -7.370 -14.608 -0.890 1.00 0.00 C ATOM 1218 O GLN A 81 -8.068 -14.850 0.094 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.290 -14.149 0.461 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.947 -13.415 0.486 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.241 -13.519 -0.867 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.471 -14.429 -1.126 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.546 -12.538 -1.713 1.00 0.00 N ATOM 0 H GLN A 81 -5.967 -11.792 0.003 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.500 -13.889 -1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.845 -13.929 1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.120 -15.225 0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.106 -12.366 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.312 -13.837 1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.199 -11.807 -1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.127 -12.518 -2.643 1.00 0.00 H new TER 1232 GLN A 81