USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ -175:sc= -0.0987 (180deg=-0.463) USER MOD Set 1.2: A 22 THR OG1 : rot 50:sc= 0.857 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0358 (180deg=-0.0358) USER MOD Single : A 2 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.5!) USER MOD Single : A 4 THR OG1 : rot -65:sc= 0.0541 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=-0.27) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.696 6.644 -4.347 1.00 0.00 N ATOM 2 CA MET A 1 3.890 5.942 -4.901 1.00 0.00 C ATOM 3 C MET A 1 4.002 4.520 -4.345 1.00 0.00 C ATOM 4 O MET A 1 3.086 4.032 -3.680 1.00 0.00 O ATOM 5 CB MET A 1 5.144 6.754 -4.548 1.00 0.00 C ATOM 6 CG MET A 1 6.168 6.818 -5.672 1.00 0.00 C ATOM 7 SD MET A 1 7.782 7.397 -5.113 1.00 0.00 S ATOM 8 CE MET A 1 8.280 8.413 -6.502 1.00 0.00 C ATOM 0 H1 MET A 1 2.597 7.573 -4.804 1.00 0.00 H new ATOM 0 H2 MET A 1 1.844 6.076 -4.529 1.00 0.00 H new ATOM 0 H3 MET A 1 2.814 6.773 -3.322 1.00 0.00 H new ATOM 0 HA MET A 1 3.789 5.863 -5.983 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.846 7.768 -4.282 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.613 6.317 -3.666 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.276 5.829 -6.116 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.800 7.481 -6.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.262 8.842 -6.305 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.325 7.801 -7.403 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.556 9.215 -6.644 1.00 0.00 H new ATOM 20 N ASN A 2 5.131 3.858 -4.617 1.00 0.00 N ATOM 21 CA ASN A 2 5.354 2.499 -4.138 1.00 0.00 C ATOM 22 C ASN A 2 5.908 2.523 -2.718 1.00 0.00 C ATOM 23 O ASN A 2 6.917 3.179 -2.444 1.00 0.00 O ATOM 24 CB ASN A 2 6.320 1.750 -5.064 1.00 0.00 C ATOM 25 CG ASN A 2 5.967 0.279 -5.221 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.134 -0.257 -4.488 1.00 0.00 O ATOM 27 ND2 ASN A 2 6.604 -0.383 -6.181 1.00 0.00 N ATOM 0 H ASN A 2 5.900 4.244 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 2 4.398 1.976 -4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.318 2.226 -6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.333 1.836 -4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 2 6.410 -1.373 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 2 7.287 0.099 -6.766 1.00 0.00 H new ATOM 34 N VAL A 3 5.237 1.810 -1.820 1.00 0.00 N ATOM 35 CA VAL A 3 5.647 1.748 -0.422 1.00 0.00 C ATOM 36 C VAL A 3 5.952 0.314 0.003 1.00 0.00 C ATOM 37 O VAL A 3 5.244 -0.622 -0.380 1.00 0.00 O ATOM 38 CB VAL A 3 4.572 2.348 0.512 1.00 0.00 C ATOM 39 CG1 VAL A 3 4.334 3.815 0.180 1.00 0.00 C ATOM 40 CG2 VAL A 3 3.272 1.560 0.428 1.00 0.00 C ATOM 0 H VAL A 3 4.403 1.264 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 3 6.556 2.343 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 3 4.939 2.281 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.574 4.221 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.262 4.372 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.995 3.904 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.533 2.004 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.897 1.584 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.453 0.527 0.724 1.00 0.00 H new ATOM 50 N THR A 4 7.010 0.148 0.795 1.00 0.00 N ATOM 51 CA THR A 4 7.408 -1.173 1.273 1.00 0.00 C ATOM 52 C THR A 4 6.464 -1.640 2.375 1.00 0.00 C ATOM 53 O THR A 4 6.420 -1.052 3.459 1.00 0.00 O ATOM 54 CB THR A 4 8.850 -1.148 1.788 1.00 0.00 C ATOM 55 OG1 THR A 4 9.678 -0.383 0.929 1.00 0.00 O ATOM 56 CG2 THR A 4 9.469 -2.524 1.913 1.00 0.00 C ATOM 0 H THR A 4 7.605 0.911 1.118 1.00 0.00 H new ATOM 0 HA THR A 4 7.351 -1.873 0.439 1.00 0.00 H new ATOM 0 HB THR A 4 8.791 -0.703 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.740 -0.824 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.490 -2.431 2.283 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.884 -3.124 2.610 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.479 -3.008 0.937 1.00 0.00 H new ATOM 64 N VAL A 5 5.703 -2.691 2.084 1.00 0.00 N ATOM 65 CA VAL A 5 4.746 -3.232 3.040 1.00 0.00 C ATOM 66 C VAL A 5 5.110 -4.656 3.457 1.00 0.00 C ATOM 67 O VAL A 5 5.392 -5.511 2.614 1.00 0.00 O ATOM 68 CB VAL A 5 3.310 -3.218 2.466 1.00 0.00 C ATOM 69 CG1 VAL A 5 2.877 -1.795 2.136 1.00 0.00 C ATOM 70 CG2 VAL A 5 3.208 -4.109 1.235 1.00 0.00 C ATOM 0 H VAL A 5 5.732 -3.185 1.192 1.00 0.00 H new ATOM 0 HA VAL A 5 4.785 -2.589 3.919 1.00 0.00 H new ATOM 0 HB VAL A 5 2.638 -3.614 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.864 -1.807 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.901 -1.188 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.556 -1.370 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.189 -4.082 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.895 -3.750 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.467 -5.133 1.504 1.00 0.00 H new ATOM 80 N GLU A 6 5.092 -4.905 4.765 1.00 0.00 N ATOM 81 CA GLU A 6 5.409 -6.224 5.299 1.00 0.00 C ATOM 82 C GLU A 6 4.171 -7.116 5.281 1.00 0.00 C ATOM 83 O GLU A 6 3.148 -6.785 5.884 1.00 0.00 O ATOM 84 CB GLU A 6 5.953 -6.107 6.725 1.00 0.00 C ATOM 85 CG GLU A 6 6.494 -7.416 7.283 1.00 0.00 C ATOM 86 CD GLU A 6 5.829 -7.815 8.587 1.00 0.00 C ATOM 87 OE1 GLU A 6 4.584 -7.922 8.614 1.00 0.00 O ATOM 88 OE2 GLU A 6 6.556 -8.022 9.582 1.00 0.00 O ATOM 0 H GLU A 6 4.861 -4.209 5.474 1.00 0.00 H new ATOM 0 HA GLU A 6 6.175 -6.675 4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.746 -5.360 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.160 -5.744 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.348 -8.208 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.568 -7.322 7.441 1.00 0.00 H new ATOM 95 N VAL A 7 4.270 -8.244 4.582 1.00 0.00 N ATOM 96 CA VAL A 7 3.158 -9.182 4.479 1.00 0.00 C ATOM 97 C VAL A 7 3.211 -10.225 5.593 1.00 0.00 C ATOM 98 O VAL A 7 4.260 -10.799 5.871 1.00 0.00 O ATOM 99 CB VAL A 7 3.129 -9.891 3.105 1.00 0.00 C ATOM 100 CG1 VAL A 7 2.680 -8.927 2.018 1.00 0.00 C ATOM 101 CG2 VAL A 7 4.489 -10.481 2.762 1.00 0.00 C ATOM 0 H VAL A 7 5.110 -8.530 4.079 1.00 0.00 H new ATOM 0 HA VAL A 7 2.244 -8.597 4.583 1.00 0.00 H new ATOM 0 HB VAL A 7 2.412 -10.710 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.665 -9.443 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.680 -8.560 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.373 -8.087 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.438 -10.973 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.233 -9.685 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.772 -11.209 3.523 1.00 0.00 H new ATOM 111 N VAL A 8 2.070 -10.457 6.235 1.00 0.00 N ATOM 112 CA VAL A 8 1.987 -11.426 7.328 1.00 0.00 C ATOM 113 C VAL A 8 2.260 -12.847 6.831 1.00 0.00 C ATOM 114 O VAL A 8 1.569 -13.346 5.941 1.00 0.00 O ATOM 115 CB VAL A 8 0.606 -11.386 8.019 1.00 0.00 C ATOM 116 CG1 VAL A 8 0.590 -12.283 9.251 1.00 0.00 C ATOM 117 CG2 VAL A 8 0.234 -9.956 8.387 1.00 0.00 C ATOM 0 H VAL A 8 1.190 -9.989 6.019 1.00 0.00 H new ATOM 0 HA VAL A 8 2.752 -11.147 8.053 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.138 -11.764 7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.393 -12.238 9.721 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.805 -13.310 8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.346 -11.943 9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.742 -9.947 8.873 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.982 -9.549 9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.195 -9.346 7.484 1.00 0.00 H new ATOM 127 N GLY A 9 3.276 -13.489 7.414 1.00 0.00 N ATOM 128 CA GLY A 9 3.629 -14.848 7.021 1.00 0.00 C ATOM 129 C GLY A 9 4.741 -14.904 5.978 1.00 0.00 C ATOM 130 O GLY A 9 5.450 -15.907 5.878 1.00 0.00 O ATOM 0 H GLY A 9 3.860 -13.092 8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.940 -15.405 7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.744 -15.346 6.626 1.00 0.00 H new ATOM 134 N GLU A 10 4.883 -13.830 5.200 1.00 0.00 N ATOM 135 CA GLU A 10 5.900 -13.748 4.152 1.00 0.00 C ATOM 136 C GLU A 10 6.846 -12.574 4.399 1.00 0.00 C ATOM 137 O GLU A 10 6.552 -11.696 5.211 1.00 0.00 O ATOM 138 CB GLU A 10 5.231 -13.613 2.781 1.00 0.00 C ATOM 139 CG GLU A 10 5.623 -14.704 1.791 1.00 0.00 C ATOM 140 CD GLU A 10 4.603 -14.899 0.679 1.00 0.00 C ATOM 141 OE1 GLU A 10 3.748 -14.007 0.477 1.00 0.00 O ATOM 142 OE2 GLU A 10 4.655 -15.950 0.005 1.00 0.00 O ATOM 0 H GLU A 10 4.300 -12.997 5.278 1.00 0.00 H new ATOM 0 HA GLU A 10 6.488 -14.666 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.149 -13.628 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.487 -12.642 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.588 -14.456 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.750 -15.644 2.328 1.00 0.00 H new ATOM 149 N GLU A 11 7.990 -12.574 3.707 1.00 0.00 N ATOM 150 CA GLU A 11 8.992 -11.509 3.849 1.00 0.00 C ATOM 151 C GLU A 11 8.399 -10.129 3.494 1.00 0.00 C ATOM 152 O GLU A 11 7.191 -9.918 3.599 1.00 0.00 O ATOM 153 CB GLU A 11 10.212 -11.823 2.972 1.00 0.00 C ATOM 154 CG GLU A 11 9.948 -11.703 1.475 1.00 0.00 C ATOM 155 CD GLU A 11 9.966 -13.042 0.758 1.00 0.00 C ATOM 156 OE1 GLU A 11 10.975 -13.770 0.880 1.00 0.00 O ATOM 157 OE2 GLU A 11 8.971 -13.360 0.073 1.00 0.00 O ATOM 0 H GLU A 11 8.247 -13.302 3.040 1.00 0.00 H new ATOM 0 HA GLU A 11 9.307 -11.468 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.024 -11.148 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.553 -12.835 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.980 -11.227 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.699 -11.050 1.031 1.00 0.00 H new ATOM 164 N THR A 12 9.243 -9.186 3.073 1.00 0.00 N ATOM 165 CA THR A 12 8.764 -7.847 2.725 1.00 0.00 C ATOM 166 C THR A 12 8.601 -7.703 1.214 1.00 0.00 C ATOM 167 O THR A 12 9.483 -8.084 0.443 1.00 0.00 O ATOM 168 CB THR A 12 9.720 -6.769 3.254 1.00 0.00 C ATOM 169 OG1 THR A 12 10.460 -7.241 4.369 1.00 0.00 O ATOM 170 CG2 THR A 12 9.006 -5.504 3.682 1.00 0.00 C ATOM 0 H THR A 12 10.248 -9.321 2.966 1.00 0.00 H new ATOM 0 HA THR A 12 7.790 -7.711 3.196 1.00 0.00 H new ATOM 0 HB THR A 12 10.381 -6.539 2.419 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.062 -6.535 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.735 -4.780 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.471 -5.083 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.298 -5.737 4.477 1.00 0.00 H new ATOM 178 N SER A 13 7.455 -7.158 0.804 1.00 0.00 N ATOM 179 CA SER A 13 7.150 -6.965 -0.611 1.00 0.00 C ATOM 180 C SER A 13 6.719 -5.528 -0.893 1.00 0.00 C ATOM 181 O SER A 13 6.354 -4.785 0.022 1.00 0.00 O ATOM 182 CB SER A 13 6.048 -7.936 -1.050 1.00 0.00 C ATOM 183 OG SER A 13 6.589 -9.202 -1.393 1.00 0.00 O ATOM 0 H SER A 13 6.720 -6.842 1.437 1.00 0.00 H new ATOM 0 HA SER A 13 8.057 -7.166 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.321 -8.053 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.514 -7.522 -1.905 1.00 0.00 H new ATOM 0 HG SER A 13 5.866 -9.803 -1.668 1.00 0.00 H new ATOM 189 N GLU A 14 6.764 -5.146 -2.167 1.00 0.00 N ATOM 190 CA GLU A 14 6.378 -3.802 -2.581 1.00 0.00 C ATOM 191 C GLU A 14 4.968 -3.803 -3.161 1.00 0.00 C ATOM 192 O GLU A 14 4.681 -4.519 -4.123 1.00 0.00 O ATOM 193 CB GLU A 14 7.370 -3.254 -3.608 1.00 0.00 C ATOM 194 CG GLU A 14 8.821 -3.334 -3.157 1.00 0.00 C ATOM 195 CD GLU A 14 9.509 -1.982 -3.153 1.00 0.00 C ATOM 196 OE1 GLU A 14 9.580 -1.346 -4.228 1.00 0.00 O ATOM 197 OE2 GLU A 14 9.978 -1.558 -2.077 1.00 0.00 O ATOM 0 H GLU A 14 7.065 -5.751 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 14 6.391 -3.157 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.257 -3.807 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.122 -2.214 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.863 -3.761 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.365 -4.012 -3.815 1.00 0.00 H new ATOM 204 N VAL A 15 4.090 -3.003 -2.560 1.00 0.00 N ATOM 205 CA VAL A 15 2.703 -2.910 -3.002 1.00 0.00 C ATOM 206 C VAL A 15 2.282 -1.449 -3.181 1.00 0.00 C ATOM 207 O VAL A 15 2.790 -0.559 -2.495 1.00 0.00 O ATOM 208 CB VAL A 15 1.759 -3.604 -1.992 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.297 -3.351 -2.336 1.00 0.00 C ATOM 210 CG2 VAL A 15 2.042 -5.099 -1.930 1.00 0.00 C ATOM 0 H VAL A 15 4.317 -2.408 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 15 2.628 -3.417 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 15 1.951 -3.174 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.340 -3.852 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.099 -2.279 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.085 -3.740 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.367 -5.568 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.889 -5.540 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.073 -5.261 -1.617 1.00 0.00 H new ATOM 220 N ALA A 16 1.348 -1.212 -4.105 1.00 0.00 N ATOM 221 CA ALA A 16 0.858 0.134 -4.373 1.00 0.00 C ATOM 222 C ALA A 16 -0.266 0.509 -3.414 1.00 0.00 C ATOM 223 O ALA A 16 -1.145 -0.304 -3.121 1.00 0.00 O ATOM 224 CB ALA A 16 0.391 0.251 -5.817 1.00 0.00 C ATOM 0 H ALA A 16 0.918 -1.938 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 16 1.680 0.832 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.028 1.262 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.223 0.037 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.413 -0.462 -5.998 1.00 0.00 H new ATOM 230 N VAL A 17 -0.226 1.746 -2.925 1.00 0.00 N ATOM 231 CA VAL A 17 -1.232 2.236 -1.984 1.00 0.00 C ATOM 232 C VAL A 17 -2.053 3.385 -2.565 1.00 0.00 C ATOM 233 O VAL A 17 -1.674 3.994 -3.568 1.00 0.00 O ATOM 234 CB VAL A 17 -0.582 2.710 -0.667 1.00 0.00 C ATOM 235 CG1 VAL A 17 0.056 1.538 0.064 1.00 0.00 C ATOM 236 CG2 VAL A 17 0.444 3.807 -0.931 1.00 0.00 C ATOM 0 H VAL A 17 0.493 2.429 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.896 1.395 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.363 3.127 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.510 1.890 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.707 0.794 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.823 1.089 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.888 4.124 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.224 3.425 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.046 4.657 -1.405 1.00 0.00 H new ATOM 246 N ASP A 18 -3.187 3.668 -1.921 1.00 0.00 N ATOM 247 CA ASP A 18 -4.082 4.740 -2.356 1.00 0.00 C ATOM 248 C ASP A 18 -4.089 5.908 -1.361 1.00 0.00 C ATOM 249 O ASP A 18 -4.369 7.048 -1.739 1.00 0.00 O ATOM 250 CB ASP A 18 -5.497 4.192 -2.546 1.00 0.00 C ATOM 251 CG ASP A 18 -6.426 5.188 -3.210 1.00 0.00 C ATOM 252 OD1 ASP A 18 -6.274 5.422 -4.429 1.00 0.00 O ATOM 253 OD2 ASP A 18 -7.307 5.730 -2.513 1.00 0.00 O ATOM 0 H ASP A 18 -3.508 3.167 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.714 5.122 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.453 3.285 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.906 3.910 -1.576 1.00 0.00 H new ATOM 258 N ASP A 19 -3.778 5.624 -0.090 1.00 0.00 N ATOM 259 CA ASP A 19 -3.739 6.660 0.946 1.00 0.00 C ATOM 260 C ASP A 19 -2.593 7.654 0.708 1.00 0.00 C ATOM 261 O ASP A 19 -2.659 8.796 1.163 1.00 0.00 O ATOM 262 CB ASP A 19 -3.597 6.029 2.337 1.00 0.00 C ATOM 263 CG ASP A 19 -3.870 7.016 3.460 1.00 0.00 C ATOM 264 OD1 ASP A 19 -5.022 7.491 3.571 1.00 0.00 O ATOM 265 OD2 ASP A 19 -2.933 7.312 4.229 1.00 0.00 O ATOM 0 H ASP A 19 -3.550 4.687 0.244 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.681 7.206 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.286 5.189 2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.590 5.628 2.448 1.00 0.00 H new ATOM 270 N ASP A 20 -1.541 7.208 0.002 1.00 0.00 N ATOM 271 CA ASP A 20 -0.373 8.053 -0.287 1.00 0.00 C ATOM 272 C ASP A 20 -0.795 9.448 -0.773 1.00 0.00 C ATOM 273 O ASP A 20 -0.205 10.452 -0.370 1.00 0.00 O ATOM 274 CB ASP A 20 0.544 7.381 -1.327 1.00 0.00 C ATOM 275 CG ASP A 20 1.892 6.952 -0.762 1.00 0.00 C ATOM 276 OD1 ASP A 20 1.936 6.469 0.391 1.00 0.00 O ATOM 277 OD2 ASP A 20 2.905 7.086 -1.483 1.00 0.00 O ATOM 0 H ASP A 20 -1.477 6.264 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 20 0.182 8.173 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.036 6.508 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.709 8.071 -2.154 1.00 0.00 H new ATOM 282 N GLY A 21 -1.825 9.512 -1.628 1.00 0.00 N ATOM 283 CA GLY A 21 -2.299 10.798 -2.120 1.00 0.00 C ATOM 284 C GLY A 21 -1.571 11.303 -3.352 1.00 0.00 C ATOM 285 O GLY A 21 -1.907 12.365 -3.883 1.00 0.00 O ATOM 0 H GLY A 21 -2.333 8.702 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.362 10.717 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.199 11.537 -1.325 1.00 0.00 H new ATOM 289 N THR A 22 -0.570 10.563 -3.796 1.00 0.00 N ATOM 290 CA THR A 22 0.217 10.961 -4.967 1.00 0.00 C ATOM 291 C THR A 22 -0.418 10.471 -6.273 1.00 0.00 C ATOM 292 O THR A 22 -1.451 9.798 -6.262 1.00 0.00 O ATOM 293 CB THR A 22 1.667 10.463 -4.857 1.00 0.00 C ATOM 294 OG1 THR A 22 1.783 9.384 -3.940 1.00 0.00 O ATOM 295 CG2 THR A 22 2.630 11.548 -4.420 1.00 0.00 C ATOM 0 H THR A 22 -0.278 9.684 -3.370 1.00 0.00 H new ATOM 0 HA THR A 22 0.226 12.051 -4.989 1.00 0.00 H new ATOM 0 HB THR A 22 1.931 10.136 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.106 8.706 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.638 11.137 -4.360 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.613 12.363 -5.144 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.333 11.925 -3.441 1.00 0.00 H new ATOM 303 N TYR A 23 0.206 10.826 -7.402 1.00 0.00 N ATOM 304 CA TYR A 23 -0.297 10.435 -8.723 1.00 0.00 C ATOM 305 C TYR A 23 -0.329 8.913 -8.881 1.00 0.00 C ATOM 306 O TYR A 23 -1.232 8.371 -9.519 1.00 0.00 O ATOM 307 CB TYR A 23 0.558 11.057 -9.831 1.00 0.00 C ATOM 308 CG TYR A 23 0.214 12.502 -10.131 1.00 0.00 C ATOM 309 CD1 TYR A 23 0.462 13.506 -9.201 1.00 0.00 C ATOM 310 CD2 TYR A 23 -0.354 12.862 -11.347 1.00 0.00 C ATOM 311 CE1 TYR A 23 0.154 14.824 -9.475 1.00 0.00 C ATOM 312 CE2 TYR A 23 -0.665 14.179 -11.628 1.00 0.00 C ATOM 313 CZ TYR A 23 -0.408 15.156 -10.689 1.00 0.00 C ATOM 314 OH TYR A 23 -0.713 16.470 -10.967 1.00 0.00 O ATOM 0 H TYR A 23 1.060 11.383 -7.427 1.00 0.00 H new ATOM 0 HA TYR A 23 -1.318 10.808 -8.809 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.608 10.995 -9.545 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.441 10.469 -10.741 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.903 13.251 -8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.556 12.100 -12.085 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.353 15.591 -8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.107 14.442 -12.578 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.101 16.533 -11.865 1.00 0.00 H new ATOM 324 N ALA A 24 0.656 8.230 -8.291 1.00 0.00 N ATOM 325 CA ALA A 24 0.730 6.770 -8.361 1.00 0.00 C ATOM 326 C ALA A 24 -0.551 6.129 -7.824 1.00 0.00 C ATOM 327 O ALA A 24 -1.003 5.101 -8.327 1.00 0.00 O ATOM 328 CB ALA A 24 1.933 6.267 -7.580 1.00 0.00 C ATOM 0 H ALA A 24 1.411 8.665 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 24 0.841 6.486 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.977 5.180 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.844 6.691 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.842 6.570 -6.537 1.00 0.00 H new ATOM 334 N ASP A 25 -1.128 6.753 -6.802 1.00 0.00 N ATOM 335 CA ASP A 25 -2.358 6.269 -6.184 1.00 0.00 C ATOM 336 C ASP A 25 -3.507 6.243 -7.195 1.00 0.00 C ATOM 337 O ASP A 25 -4.323 5.321 -7.194 1.00 0.00 O ATOM 338 CB ASP A 25 -2.715 7.156 -4.991 1.00 0.00 C ATOM 339 CG ASP A 25 -1.603 7.211 -3.960 1.00 0.00 C ATOM 340 OD1 ASP A 25 -0.492 7.681 -4.298 1.00 0.00 O ATOM 341 OD2 ASP A 25 -1.843 6.784 -2.817 1.00 0.00 O ATOM 0 H ASP A 25 -0.758 7.605 -6.380 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.197 5.248 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.931 8.165 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.624 6.781 -4.521 1.00 0.00 H new ATOM 346 N LEU A 26 -3.556 7.256 -8.066 1.00 0.00 N ATOM 347 CA LEU A 26 -4.593 7.342 -9.094 1.00 0.00 C ATOM 348 C LEU A 26 -4.552 6.106 -9.994 1.00 0.00 C ATOM 349 O LEU A 26 -5.570 5.442 -10.194 1.00 0.00 O ATOM 350 CB LEU A 26 -4.412 8.619 -9.926 1.00 0.00 C ATOM 351 CG LEU A 26 -5.667 9.134 -10.646 1.00 0.00 C ATOM 352 CD1 LEU A 26 -6.095 8.173 -11.746 1.00 0.00 C ATOM 353 CD2 LEU A 26 -6.804 9.359 -9.658 1.00 0.00 C ATOM 0 H LEU A 26 -2.888 8.027 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.567 7.382 -8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.044 9.408 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.638 8.437 -10.672 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.421 10.091 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.986 8.560 -12.241 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.290 8.072 -12.474 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.316 7.198 -11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.682 9.724 -10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.045 8.419 -9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.499 10.095 -8.914 1.00 0.00 H new ATOM 365 N VAL A 27 -3.363 5.788 -10.515 1.00 0.00 N ATOM 366 CA VAL A 27 -3.192 4.615 -11.374 1.00 0.00 C ATOM 367 C VAL A 27 -3.390 3.324 -10.571 1.00 0.00 C ATOM 368 O VAL A 27 -3.917 2.338 -11.089 1.00 0.00 O ATOM 369 CB VAL A 27 -1.808 4.600 -12.070 1.00 0.00 C ATOM 370 CG1 VAL A 27 -0.672 4.551 -11.057 1.00 0.00 C ATOM 371 CG2 VAL A 27 -1.707 3.434 -13.046 1.00 0.00 C ATOM 0 H VAL A 27 -2.510 6.324 -10.357 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.953 4.674 -12.152 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.712 5.530 -12.630 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.283 4.542 -11.582 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.723 5.427 -10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.763 3.649 -10.452 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.727 3.443 -13.523 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.840 2.496 -12.507 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.482 3.528 -13.807 1.00 0.00 H new ATOM 381 N ARG A 28 -2.977 3.348 -9.299 1.00 0.00 N ATOM 382 CA ARG A 28 -3.123 2.192 -8.412 1.00 0.00 C ATOM 383 C ARG A 28 -4.600 1.838 -8.219 1.00 0.00 C ATOM 384 O ARG A 28 -4.955 0.663 -8.116 1.00 0.00 O ATOM 385 CB ARG A 28 -2.467 2.478 -7.053 1.00 0.00 C ATOM 386 CG ARG A 28 -2.719 1.402 -6.003 1.00 0.00 C ATOM 387 CD ARG A 28 -3.944 1.723 -5.157 1.00 0.00 C ATOM 388 NE ARG A 28 -4.102 0.792 -4.039 1.00 0.00 N ATOM 389 CZ ARG A 28 -5.251 0.591 -3.388 1.00 0.00 C ATOM 390 NH1 ARG A 28 -6.344 1.278 -3.714 1.00 0.00 N ATOM 391 NH2 ARG A 28 -5.308 -0.298 -2.404 1.00 0.00 N ATOM 0 H ARG A 28 -2.538 4.158 -8.861 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.623 1.341 -8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.392 2.587 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.836 3.432 -6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.857 0.439 -6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.845 1.309 -5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.862 2.740 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.835 1.690 -5.784 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.283 0.263 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.309 1.965 -4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.217 1.117 -3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.475 -0.827 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.185 -0.452 -1.906 1.00 0.00 H new ATOM 405 N ALA A 29 -5.454 2.865 -8.169 1.00 0.00 N ATOM 406 CA ALA A 29 -6.896 2.674 -7.989 1.00 0.00 C ATOM 407 C ALA A 29 -7.490 1.771 -9.071 1.00 0.00 C ATOM 408 O ALA A 29 -8.521 1.134 -8.852 1.00 0.00 O ATOM 409 CB ALA A 29 -7.614 4.016 -7.969 1.00 0.00 C ATOM 0 H ALA A 29 -5.170 3.841 -8.251 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.041 2.179 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.684 3.854 -7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.232 4.621 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.441 4.535 -8.912 1.00 0.00 H new ATOM 415 N VAL A 30 -6.835 1.709 -10.234 1.00 0.00 N ATOM 416 CA VAL A 30 -7.309 0.866 -11.329 1.00 0.00 C ATOM 417 C VAL A 30 -6.889 -0.599 -11.120 1.00 0.00 C ATOM 418 O VAL A 30 -7.177 -1.456 -11.956 1.00 0.00 O ATOM 419 CB VAL A 30 -6.777 1.366 -12.693 1.00 0.00 C ATOM 420 CG1 VAL A 30 -7.436 0.615 -13.844 1.00 0.00 C ATOM 421 CG2 VAL A 30 -6.999 2.866 -12.839 1.00 0.00 C ATOM 0 H VAL A 30 -5.982 2.229 -10.438 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.397 0.926 -11.333 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.705 1.170 -12.729 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.045 0.985 -14.792 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.221 -0.450 -13.754 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.514 0.772 -13.811 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.618 3.198 -13.805 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.065 3.084 -12.775 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.473 3.391 -12.042 1.00 0.00 H new ATOM 431 N ASP A 31 -6.229 -0.882 -9.985 1.00 0.00 N ATOM 432 CA ASP A 31 -5.787 -2.232 -9.649 1.00 0.00 C ATOM 433 C ASP A 31 -4.980 -2.861 -10.783 1.00 0.00 C ATOM 434 O ASP A 31 -5.421 -3.814 -11.429 1.00 0.00 O ATOM 435 CB ASP A 31 -6.988 -3.109 -9.283 1.00 0.00 C ATOM 436 CG ASP A 31 -6.587 -4.319 -8.461 1.00 0.00 C ATOM 437 OD1 ASP A 31 -6.528 -4.197 -7.219 1.00 0.00 O ATOM 438 OD2 ASP A 31 -6.327 -5.386 -9.057 1.00 0.00 O ATOM 0 H ASP A 31 -5.991 -0.181 -9.283 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.128 -2.162 -8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.711 -2.516 -8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.485 -3.440 -10.195 1.00 0.00 H new ATOM 443 N LEU A 32 -3.789 -2.319 -11.016 1.00 0.00 N ATOM 444 CA LEU A 32 -2.909 -2.824 -12.066 1.00 0.00 C ATOM 445 C LEU A 32 -1.719 -3.580 -11.464 1.00 0.00 C ATOM 446 O LEU A 32 -0.605 -3.526 -11.993 1.00 0.00 O ATOM 447 CB LEU A 32 -2.418 -1.666 -12.942 1.00 0.00 C ATOM 448 CG LEU A 32 -3.308 -1.339 -14.145 1.00 0.00 C ATOM 449 CD1 LEU A 32 -3.996 0.005 -13.955 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.487 -1.345 -15.427 1.00 0.00 C ATOM 0 H LEU A 32 -3.410 -1.530 -10.492 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.475 -3.521 -12.685 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.330 -0.774 -12.322 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.417 -1.903 -13.304 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.078 -2.106 -14.224 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.623 0.218 -14.821 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.614 -0.026 -13.058 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.244 0.787 -13.850 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.133 -1.111 -16.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.696 -0.598 -15.356 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.043 -2.330 -15.570 1.00 0.00 H new ATOM 462 N SER A 33 -1.960 -4.290 -10.358 1.00 0.00 N ATOM 463 CA SER A 33 -0.911 -5.058 -9.690 1.00 0.00 C ATOM 464 C SER A 33 -1.132 -6.559 -9.882 1.00 0.00 C ATOM 465 O SER A 33 -2.239 -7.057 -9.672 1.00 0.00 O ATOM 466 CB SER A 33 -0.870 -4.727 -8.193 1.00 0.00 C ATOM 467 OG SER A 33 -1.009 -3.335 -7.966 1.00 0.00 O ATOM 0 H SER A 33 -2.874 -4.347 -9.908 1.00 0.00 H new ATOM 0 HA SER A 33 0.043 -4.784 -10.139 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.668 -5.262 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.072 -5.074 -7.768 1.00 0.00 H new ATOM 0 HG SER A 33 -0.981 -3.156 -7.003 1.00 0.00 H new ATOM 473 N PRO A 34 -0.078 -7.304 -10.277 1.00 0.00 N ATOM 474 CA PRO A 34 -0.169 -8.757 -10.489 1.00 0.00 C ATOM 475 C PRO A 34 -0.449 -9.527 -9.195 1.00 0.00 C ATOM 476 O PRO A 34 -1.101 -10.572 -9.217 1.00 0.00 O ATOM 477 CB PRO A 34 1.209 -9.129 -11.049 1.00 0.00 C ATOM 478 CG PRO A 34 2.117 -8.043 -10.586 1.00 0.00 C ATOM 479 CD PRO A 34 1.281 -6.794 -10.543 1.00 0.00 C ATOM 0 HA PRO A 34 -0.995 -9.014 -11.152 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.536 -10.101 -10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.190 -9.191 -12.137 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.528 -8.271 -9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.961 -7.924 -11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.615 -6.113 -9.760 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.328 -6.246 -11.484 1.00 0.00 H new ATOM 487 N HIS A 35 0.048 -9.004 -8.071 1.00 0.00 N ATOM 488 CA HIS A 35 -0.150 -9.643 -6.768 1.00 0.00 C ATOM 489 C HIS A 35 -1.614 -9.568 -6.326 1.00 0.00 C ATOM 490 O HIS A 35 -2.152 -10.532 -5.777 1.00 0.00 O ATOM 491 CB HIS A 35 0.742 -8.987 -5.707 1.00 0.00 C ATOM 492 CG HIS A 35 1.908 -9.831 -5.286 1.00 0.00 C ATOM 493 ND1 HIS A 35 1.787 -11.152 -4.903 1.00 0.00 N ATOM 494 CD2 HIS A 35 3.225 -9.532 -5.181 1.00 0.00 C ATOM 495 CE1 HIS A 35 2.977 -11.625 -4.579 1.00 0.00 C ATOM 496 NE2 HIS A 35 3.866 -10.663 -4.741 1.00 0.00 N ATOM 0 H HIS A 35 0.590 -8.141 -8.037 1.00 0.00 H new ATOM 0 HA HIS A 35 0.125 -10.693 -6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.114 -8.039 -6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.137 -8.757 -4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.685 -8.580 -5.402 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.187 -12.628 -4.239 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.868 -10.747 -4.567 1.00 0.00 H new ATOM 505 N GLU A 36 -2.248 -8.413 -6.558 1.00 0.00 N ATOM 506 CA GLU A 36 -3.644 -8.196 -6.181 1.00 0.00 C ATOM 507 C GLU A 36 -3.815 -8.328 -4.667 1.00 0.00 C ATOM 508 O GLU A 36 -4.340 -9.327 -4.169 1.00 0.00 O ATOM 509 CB GLU A 36 -4.564 -9.178 -6.920 1.00 0.00 C ATOM 510 CG GLU A 36 -6.045 -8.953 -6.651 1.00 0.00 C ATOM 511 CD GLU A 36 -6.924 -9.401 -7.803 1.00 0.00 C ATOM 512 OE1 GLU A 36 -7.264 -10.602 -7.858 1.00 0.00 O ATOM 513 OE2 GLU A 36 -7.271 -8.552 -8.650 1.00 0.00 O ATOM 0 H GLU A 36 -1.810 -7.610 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.926 -7.184 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.382 -9.095 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.302 -10.195 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.332 -9.493 -5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.218 -7.894 -6.458 1.00 0.00 H new ATOM 520 N VAL A 37 -3.350 -7.312 -3.939 1.00 0.00 N ATOM 521 CA VAL A 37 -3.432 -7.307 -2.481 1.00 0.00 C ATOM 522 C VAL A 37 -4.170 -6.067 -1.969 1.00 0.00 C ATOM 523 O VAL A 37 -4.266 -5.058 -2.671 1.00 0.00 O ATOM 524 CB VAL A 37 -2.024 -7.352 -1.845 1.00 0.00 C ATOM 525 CG1 VAL A 37 -1.292 -8.629 -2.233 1.00 0.00 C ATOM 526 CG2 VAL A 37 -1.212 -6.130 -2.249 1.00 0.00 C ATOM 0 H VAL A 37 -2.912 -6.481 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.988 -8.198 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.144 -7.344 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.304 -8.636 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.860 -9.493 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.188 -8.673 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.224 -6.182 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.108 -6.105 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.722 -5.227 -1.913 1.00 0.00 H new ATOM 536 N THR A 38 -4.678 -6.146 -0.738 1.00 0.00 N ATOM 537 CA THR A 38 -5.395 -5.028 -0.130 1.00 0.00 C ATOM 538 C THR A 38 -4.522 -4.331 0.914 1.00 0.00 C ATOM 539 O THR A 38 -4.140 -4.931 1.921 1.00 0.00 O ATOM 540 CB THR A 38 -6.713 -5.506 0.501 1.00 0.00 C ATOM 541 OG1 THR A 38 -7.481 -4.405 0.963 1.00 0.00 O ATOM 542 CG2 THR A 38 -6.528 -6.458 1.666 1.00 0.00 C ATOM 0 H THR A 38 -4.605 -6.972 -0.144 1.00 0.00 H new ATOM 0 HA THR A 38 -5.632 -4.309 -0.914 1.00 0.00 H new ATOM 0 HB THR A 38 -7.225 -6.042 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.316 -4.732 1.359 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.503 -6.749 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.992 -7.345 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.955 -5.965 2.452 1.00 0.00 H new ATOM 550 N VAL A 39 -4.207 -3.061 0.664 1.00 0.00 N ATOM 551 CA VAL A 39 -3.378 -2.285 1.580 1.00 0.00 C ATOM 552 C VAL A 39 -4.208 -1.251 2.337 1.00 0.00 C ATOM 553 O VAL A 39 -4.992 -0.509 1.740 1.00 0.00 O ATOM 554 CB VAL A 39 -2.220 -1.576 0.839 1.00 0.00 C ATOM 555 CG1 VAL A 39 -2.747 -0.548 -0.153 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.267 -0.926 1.834 1.00 0.00 C ATOM 0 H VAL A 39 -4.513 -2.550 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.953 -2.991 2.294 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.670 -2.330 0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.909 -0.067 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.378 -1.044 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.331 0.204 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.459 -0.432 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.808 -0.191 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.851 -1.689 2.491 1.00 0.00 H new ATOM 566 N LEU A 40 -4.022 -1.209 3.654 1.00 0.00 N ATOM 567 CA LEU A 40 -4.741 -0.267 4.505 1.00 0.00 C ATOM 568 C LEU A 40 -3.761 0.604 5.287 1.00 0.00 C ATOM 569 O LEU A 40 -2.624 0.200 5.536 1.00 0.00 O ATOM 570 CB LEU A 40 -5.669 -1.016 5.470 1.00 0.00 C ATOM 571 CG LEU A 40 -4.980 -2.048 6.371 1.00 0.00 C ATOM 572 CD1 LEU A 40 -5.702 -2.167 7.706 1.00 0.00 C ATOM 573 CD2 LEU A 40 -4.910 -3.403 5.678 1.00 0.00 C ATOM 0 H LEU A 40 -3.377 -1.819 4.156 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.347 0.377 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.175 -0.286 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.439 -1.522 4.888 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.963 -1.707 6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.196 -2.905 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.696 -1.201 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.732 -2.481 7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.418 -4.122 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.919 -3.749 5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.343 -3.309 4.752 1.00 0.00 H new ATOM 585 N VAL A 41 -4.211 1.797 5.676 1.00 0.00 N ATOM 586 CA VAL A 41 -3.378 2.728 6.433 1.00 0.00 C ATOM 587 C VAL A 41 -4.082 3.159 7.715 1.00 0.00 C ATOM 588 O VAL A 41 -5.212 3.649 7.679 1.00 0.00 O ATOM 589 CB VAL A 41 -3.028 3.987 5.609 1.00 0.00 C ATOM 590 CG1 VAL A 41 -1.999 4.844 6.335 1.00 0.00 C ATOM 591 CG2 VAL A 41 -2.527 3.606 4.222 1.00 0.00 C ATOM 0 H VAL A 41 -5.151 2.141 5.478 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.455 2.201 6.675 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.938 4.575 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.770 5.724 5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.401 5.157 7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.089 4.265 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.287 4.509 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.634 2.988 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.301 3.047 3.696 1.00 0.00 H new ATOM 601 N ASP A 42 -3.406 2.975 8.846 1.00 0.00 N ATOM 602 CA ASP A 42 -3.960 3.346 10.142 1.00 0.00 C ATOM 603 C ASP A 42 -3.934 4.862 10.326 1.00 0.00 C ATOM 604 O ASP A 42 -2.894 5.500 10.150 1.00 0.00 O ATOM 605 CB ASP A 42 -3.191 2.653 11.274 1.00 0.00 C ATOM 606 CG ASP A 42 -1.689 2.874 11.200 1.00 0.00 C ATOM 607 OD1 ASP A 42 -1.028 2.193 10.386 1.00 0.00 O ATOM 608 OD2 ASP A 42 -1.175 3.720 11.961 1.00 0.00 O ATOM 0 H ASP A 42 -2.471 2.570 8.889 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.998 3.015 10.178 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.559 3.020 12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.396 1.583 11.242 1.00 0.00 H new ATOM 613 N GLY A 43 -5.089 5.431 10.669 1.00 0.00 N ATOM 614 CA GLY A 43 -5.187 6.869 10.865 1.00 0.00 C ATOM 615 C GLY A 43 -4.514 7.334 12.144 1.00 0.00 C ATOM 616 O GLY A 43 -5.188 7.715 13.104 1.00 0.00 O ATOM 0 H GLY A 43 -5.960 4.920 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.734 7.379 10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.238 7.158 10.887 1.00 0.00 H new ATOM 620 N ARG A 44 -3.181 7.301 12.156 1.00 0.00 N ATOM 621 CA ARG A 44 -2.405 7.721 13.320 1.00 0.00 C ATOM 622 C ARG A 44 -1.660 9.022 13.033 1.00 0.00 C ATOM 623 O ARG A 44 -1.197 9.239 11.913 1.00 0.00 O ATOM 624 CB ARG A 44 -1.408 6.629 13.713 1.00 0.00 C ATOM 625 CG ARG A 44 -1.428 6.290 15.193 1.00 0.00 C ATOM 626 CD ARG A 44 -0.040 6.389 15.802 1.00 0.00 C ATOM 627 NE ARG A 44 0.689 5.126 15.707 1.00 0.00 N ATOM 628 CZ ARG A 44 1.747 4.820 16.458 1.00 0.00 C ATOM 629 NH1 ARG A 44 2.215 5.691 17.349 1.00 0.00 N ATOM 630 NH2 ARG A 44 2.343 3.643 16.314 1.00 0.00 N ATOM 0 H ARG A 44 -2.615 6.986 11.368 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.095 7.890 14.146 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.625 5.728 13.140 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.404 6.949 13.436 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.105 6.967 15.714 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.817 5.281 15.332 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.524 7.172 15.295 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.123 6.682 16.849 1.00 0.00 H new ATOM 0 HE ARG A 44 0.369 4.438 15.026 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.764 6.599 17.460 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.025 5.451 17.920 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.991 2.974 15.629 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.153 3.408 16.888 1.00 0.00 H new ATOM 644 N PRO A 45 -1.534 9.909 14.045 1.00 0.00 N ATOM 645 CA PRO A 45 -0.838 11.196 13.895 1.00 0.00 C ATOM 646 C PRO A 45 0.597 11.030 13.396 1.00 0.00 C ATOM 647 O PRO A 45 1.525 10.846 14.189 1.00 0.00 O ATOM 648 CB PRO A 45 -0.848 11.781 15.313 1.00 0.00 C ATOM 649 CG PRO A 45 -1.993 11.116 15.991 1.00 0.00 C ATOM 650 CD PRO A 45 -2.063 9.730 15.412 1.00 0.00 C ATOM 0 HA PRO A 45 -1.323 11.833 13.155 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.090 11.579 15.831 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.974 12.863 15.293 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.842 11.082 17.070 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.921 11.660 15.816 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.464 9.023 15.986 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.084 9.349 15.402 1.00 0.00 H new ATOM 658 N VAL A 46 0.770 11.091 12.077 1.00 0.00 N ATOM 659 CA VAL A 46 2.089 10.948 11.466 1.00 0.00 C ATOM 660 C VAL A 46 2.266 11.924 10.304 1.00 0.00 C ATOM 661 O VAL A 46 1.306 12.234 9.594 1.00 0.00 O ATOM 662 CB VAL A 46 2.329 9.511 10.949 1.00 0.00 C ATOM 663 CG1 VAL A 46 2.378 8.520 12.103 1.00 0.00 C ATOM 664 CG2 VAL A 46 1.260 9.108 9.940 1.00 0.00 C ATOM 0 H VAL A 46 0.012 11.239 11.411 1.00 0.00 H new ATOM 0 HA VAL A 46 2.817 11.170 12.246 1.00 0.00 H new ATOM 0 HB VAL A 46 3.295 9.495 10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.548 7.516 11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.189 8.789 12.779 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.432 8.544 12.644 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.452 8.093 9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.279 9.150 10.413 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.283 9.793 9.092 1.00 0.00 H new ATOM 674 N PRO A 47 3.501 12.421 10.088 1.00 0.00 N ATOM 675 CA PRO A 47 3.792 13.358 9.001 1.00 0.00 C ATOM 676 C PRO A 47 3.788 12.670 7.639 1.00 0.00 C ATOM 677 O PRO A 47 4.831 12.237 7.146 1.00 0.00 O ATOM 678 CB PRO A 47 5.190 13.876 9.339 1.00 0.00 C ATOM 679 CG PRO A 47 5.820 12.775 10.116 1.00 0.00 C ATOM 680 CD PRO A 47 4.707 12.107 10.882 1.00 0.00 C ATOM 0 HA PRO A 47 3.044 14.147 8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.759 14.100 8.437 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.142 14.796 9.922 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.316 12.066 9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.580 13.163 10.794 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.865 11.032 10.963 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.630 12.495 11.898 1.00 0.00 H new ATOM 688 N GLU A 48 2.606 12.571 7.038 1.00 0.00 N ATOM 689 CA GLU A 48 2.456 11.935 5.729 1.00 0.00 C ATOM 690 C GLU A 48 3.281 12.662 4.661 1.00 0.00 C ATOM 691 O GLU A 48 3.659 12.067 3.651 1.00 0.00 O ATOM 692 CB GLU A 48 0.980 11.901 5.322 1.00 0.00 C ATOM 693 CG GLU A 48 0.058 11.369 6.411 1.00 0.00 C ATOM 694 CD GLU A 48 -0.928 10.337 5.897 1.00 0.00 C ATOM 695 OE1 GLU A 48 -0.486 9.234 5.509 1.00 0.00 O ATOM 696 OE2 GLU A 48 -2.143 10.630 5.885 1.00 0.00 O ATOM 0 H GLU A 48 1.735 12.923 7.436 1.00 0.00 H new ATOM 0 HA GLU A 48 2.828 10.913 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.664 12.908 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.872 11.282 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.659 10.926 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.491 12.200 6.853 1.00 0.00 H new ATOM 703 N ASP A 49 3.562 13.949 4.897 1.00 0.00 N ATOM 704 CA ASP A 49 4.346 14.756 3.961 1.00 0.00 C ATOM 705 C ASP A 49 5.851 14.674 4.258 1.00 0.00 C ATOM 706 O ASP A 49 6.618 15.538 3.827 1.00 0.00 O ATOM 707 CB ASP A 49 3.890 16.218 4.012 1.00 0.00 C ATOM 708 CG ASP A 49 2.443 16.399 3.591 1.00 0.00 C ATOM 709 OD1 ASP A 49 1.545 16.071 4.397 1.00 0.00 O ATOM 710 OD2 ASP A 49 2.208 16.874 2.461 1.00 0.00 O ATOM 0 H ASP A 49 3.257 14.452 5.730 1.00 0.00 H new ATOM 0 HA ASP A 49 4.177 14.353 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.019 16.599 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.530 16.816 3.363 1.00 0.00 H new ATOM 715 N GLN A 50 6.270 13.641 4.996 1.00 0.00 N ATOM 716 CA GLN A 50 7.680 13.459 5.346 1.00 0.00 C ATOM 717 C GLN A 50 8.567 13.436 4.098 1.00 0.00 C ATOM 718 O GLN A 50 9.459 14.272 3.948 1.00 0.00 O ATOM 719 CB GLN A 50 7.865 12.163 6.142 1.00 0.00 C ATOM 720 CG GLN A 50 8.990 12.225 7.163 1.00 0.00 C ATOM 721 CD GLN A 50 9.129 10.940 7.957 1.00 0.00 C ATOM 722 OE1 GLN A 50 8.794 9.858 7.474 1.00 0.00 O ATOM 723 NE2 GLN A 50 9.629 11.049 9.184 1.00 0.00 N ATOM 0 H GLN A 50 5.651 12.918 5.362 1.00 0.00 H new ATOM 0 HA GLN A 50 7.983 14.307 5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.933 11.927 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.062 11.346 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.929 12.435 6.651 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.809 13.053 7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.894 11.964 9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.747 10.217 9.762 1.00 0.00 H new ATOM 732 N SER A 51 8.320 12.472 3.210 1.00 0.00 N ATOM 733 CA SER A 51 9.099 12.344 1.980 1.00 0.00 C ATOM 734 C SER A 51 8.287 11.644 0.895 1.00 0.00 C ATOM 735 O SER A 51 7.725 10.573 1.129 1.00 0.00 O ATOM 736 CB SER A 51 10.397 11.574 2.247 1.00 0.00 C ATOM 737 OG SER A 51 11.202 11.500 1.081 1.00 0.00 O ATOM 0 H SER A 51 7.588 11.770 3.320 1.00 0.00 H new ATOM 0 HA SER A 51 9.349 13.346 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.955 12.063 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.161 10.568 2.593 1.00 0.00 H new ATOM 0 HG SER A 51 12.024 11.005 1.282 1.00 0.00 H new ATOM 743 N VAL A 52 8.227 12.268 -0.289 1.00 0.00 N ATOM 744 CA VAL A 52 7.482 11.730 -1.434 1.00 0.00 C ATOM 745 C VAL A 52 6.084 11.225 -1.026 1.00 0.00 C ATOM 746 O VAL A 52 5.544 10.297 -1.633 1.00 0.00 O ATOM 747 CB VAL A 52 8.279 10.608 -2.154 1.00 0.00 C ATOM 748 CG1 VAL A 52 8.451 9.386 -1.264 1.00 0.00 C ATOM 749 CG2 VAL A 52 7.609 10.231 -3.470 1.00 0.00 C ATOM 0 H VAL A 52 8.691 13.156 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 52 7.345 12.554 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 52 9.273 10.997 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.013 8.621 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.992 9.667 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.471 8.993 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.183 9.444 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.598 9.874 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.566 11.105 -4.120 1.00 0.00 H new ATOM 759 N GLU A 53 5.504 11.862 -0.004 1.00 0.00 N ATOM 760 CA GLU A 53 4.171 11.516 0.495 1.00 0.00 C ATOM 761 C GLU A 53 3.953 10.000 0.591 1.00 0.00 C ATOM 762 O GLU A 53 2.924 9.488 0.148 1.00 0.00 O ATOM 763 CB GLU A 53 3.094 12.144 -0.398 1.00 0.00 C ATOM 764 CG GLU A 53 3.413 13.561 -0.849 1.00 0.00 C ATOM 765 CD GLU A 53 2.167 14.402 -1.050 1.00 0.00 C ATOM 766 OE1 GLU A 53 1.399 14.110 -1.993 1.00 0.00 O ATOM 767 OE2 GLU A 53 1.959 15.351 -0.267 1.00 0.00 O ATOM 0 H GLU A 53 5.946 12.631 0.500 1.00 0.00 H new ATOM 0 HA GLU A 53 4.094 11.918 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.955 11.516 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.147 12.150 0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.054 14.039 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.976 13.524 -1.781 1.00 0.00 H new ATOM 774 N VAL A 54 4.916 9.287 1.178 1.00 0.00 N ATOM 775 CA VAL A 54 4.805 7.831 1.327 1.00 0.00 C ATOM 776 C VAL A 54 4.504 7.428 2.769 1.00 0.00 C ATOM 777 O VAL A 54 4.708 8.207 3.701 1.00 0.00 O ATOM 778 CB VAL A 54 6.086 7.095 0.879 1.00 0.00 C ATOM 779 CG1 VAL A 54 6.260 7.178 -0.630 1.00 0.00 C ATOM 780 CG2 VAL A 54 7.309 7.640 1.605 1.00 0.00 C ATOM 0 H VAL A 54 5.775 9.687 1.556 1.00 0.00 H new ATOM 0 HA VAL A 54 3.977 7.537 0.681 1.00 0.00 H new ATOM 0 HB VAL A 54 5.982 6.043 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.169 6.652 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.402 6.718 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.333 8.223 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.198 7.105 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.420 8.702 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.185 7.504 2.679 1.00 0.00 H new ATOM 790 N ASP A 55 4.025 6.192 2.936 1.00 0.00 N ATOM 791 CA ASP A 55 3.698 5.652 4.254 1.00 0.00 C ATOM 792 C ASP A 55 3.913 4.138 4.285 1.00 0.00 C ATOM 793 O ASP A 55 3.640 3.447 3.301 1.00 0.00 O ATOM 794 CB ASP A 55 2.246 5.984 4.619 1.00 0.00 C ATOM 795 CG ASP A 55 2.039 6.136 6.114 1.00 0.00 C ATOM 796 OD1 ASP A 55 2.697 7.009 6.722 1.00 0.00 O ATOM 797 OD2 ASP A 55 1.217 5.384 6.679 1.00 0.00 O ATOM 0 H ASP A 55 3.855 5.544 2.167 1.00 0.00 H new ATOM 0 HA ASP A 55 4.361 6.112 4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.952 6.907 4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.592 5.197 4.244 1.00 0.00 H new ATOM 802 N ARG A 56 4.396 3.623 5.417 1.00 0.00 N ATOM 803 CA ARG A 56 4.636 2.187 5.562 1.00 0.00 C ATOM 804 C ARG A 56 3.436 1.509 6.220 1.00 0.00 C ATOM 805 O ARG A 56 3.006 1.902 7.307 1.00 0.00 O ATOM 806 CB ARG A 56 5.899 1.930 6.393 1.00 0.00 C ATOM 807 CG ARG A 56 6.170 0.453 6.653 1.00 0.00 C ATOM 808 CD ARG A 56 7.157 0.255 7.794 1.00 0.00 C ATOM 809 NE ARG A 56 8.414 -0.341 7.340 1.00 0.00 N ATOM 810 CZ ARG A 56 8.584 -1.645 7.098 1.00 0.00 C ATOM 811 NH1 ARG A 56 7.571 -2.498 7.239 1.00 0.00 N ATOM 812 NH2 ARG A 56 9.771 -2.097 6.709 1.00 0.00 N ATOM 0 H ARG A 56 4.627 4.176 6.242 1.00 0.00 H new ATOM 0 HA ARG A 56 4.780 1.766 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.757 2.363 5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.807 2.447 7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.234 -0.053 6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.562 -0.010 5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.362 1.216 8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.708 -0.384 8.554 1.00 0.00 H new ATOM 0 HE ARG A 56 9.212 0.278 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.656 -2.158 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.711 -3.491 7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.551 -1.450 6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.902 -3.091 6.524 1.00 0.00 H new ATOM 826 N VAL A 57 2.898 0.494 5.548 1.00 0.00 N ATOM 827 CA VAL A 57 1.739 -0.244 6.050 1.00 0.00 C ATOM 828 C VAL A 57 1.903 -1.752 5.848 1.00 0.00 C ATOM 829 O VAL A 57 2.793 -2.194 5.122 1.00 0.00 O ATOM 830 CB VAL A 57 0.440 0.224 5.359 1.00 0.00 C ATOM 831 CG1 VAL A 57 -0.035 1.543 5.953 1.00 0.00 C ATOM 832 CG2 VAL A 57 0.646 0.353 3.856 1.00 0.00 C ATOM 0 H VAL A 57 3.248 0.162 4.649 1.00 0.00 H new ATOM 0 HA VAL A 57 1.672 -0.038 7.118 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.331 -0.527 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.952 1.858 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.228 1.414 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.734 2.303 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.282 0.684 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.432 1.081 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.935 -0.614 3.444 1.00 0.00 H new ATOM 842 N LYS A 58 1.036 -2.537 6.491 1.00 0.00 N ATOM 843 CA LYS A 58 1.083 -3.996 6.368 1.00 0.00 C ATOM 844 C LYS A 58 -0.018 -4.493 5.430 1.00 0.00 C ATOM 845 O LYS A 58 -1.191 -4.153 5.599 1.00 0.00 O ATOM 846 CB LYS A 58 0.957 -4.672 7.741 1.00 0.00 C ATOM 847 CG LYS A 58 0.041 -3.944 8.716 1.00 0.00 C ATOM 848 CD LYS A 58 0.039 -4.610 10.087 1.00 0.00 C ATOM 849 CE LYS A 58 1.434 -4.633 10.699 1.00 0.00 C ATOM 850 NZ LYS A 58 1.398 -4.597 12.189 1.00 0.00 N ATOM 0 H LYS A 58 0.295 -2.189 7.100 1.00 0.00 H new ATOM 0 HA LYS A 58 2.051 -4.264 5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.586 -5.687 7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.949 -4.754 8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.364 -2.908 8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.974 -3.925 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.642 -4.077 10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.337 -5.629 9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.957 -5.532 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.004 -3.780 10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.369 -4.614 12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.922 -3.727 12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.877 -5.424 12.544 1.00 0.00 H new ATOM 864 N VAL A 59 0.373 -5.290 4.434 1.00 0.00 N ATOM 865 CA VAL A 59 -0.570 -5.827 3.452 1.00 0.00 C ATOM 866 C VAL A 59 -0.568 -7.356 3.451 1.00 0.00 C ATOM 867 O VAL A 59 0.480 -7.982 3.599 1.00 0.00 O ATOM 868 CB VAL A 59 -0.238 -5.326 2.030 1.00 0.00 C ATOM 869 CG1 VAL A 59 -1.291 -5.783 1.032 1.00 0.00 C ATOM 870 CG2 VAL A 59 -0.106 -3.811 2.013 1.00 0.00 C ATOM 0 H VAL A 59 1.340 -5.579 4.286 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.560 -5.472 3.740 1.00 0.00 H new ATOM 0 HB VAL A 59 0.718 -5.758 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.034 -5.417 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.331 -6.872 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.264 -5.388 1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.128 -3.477 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.045 -3.360 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.693 -3.508 2.689 1.00 0.00 H new ATOM 880 N LEU A 60 -1.748 -7.951 3.273 1.00 0.00 N ATOM 881 CA LEU A 60 -1.881 -9.406 3.240 1.00 0.00 C ATOM 882 C LEU A 60 -1.834 -9.920 1.797 1.00 0.00 C ATOM 883 O LEU A 60 -2.410 -9.309 0.894 1.00 0.00 O ATOM 884 CB LEU A 60 -3.190 -9.839 3.910 1.00 0.00 C ATOM 885 CG LEU A 60 -3.162 -11.226 4.560 1.00 0.00 C ATOM 886 CD1 LEU A 60 -2.915 -11.114 6.059 1.00 0.00 C ATOM 887 CD2 LEU A 60 -4.461 -11.970 4.288 1.00 0.00 C ATOM 0 H LEU A 60 -2.626 -7.446 3.149 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.045 -9.837 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.450 -9.104 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.985 -9.821 3.164 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.341 -11.792 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.899 -12.110 6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.957 -10.624 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.712 -10.527 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.422 -12.953 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.297 -11.404 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.595 -12.087 3.213 1.00 0.00 H new ATOM 899 N ARG A 61 -1.141 -11.041 1.589 1.00 0.00 N ATOM 900 CA ARG A 61 -1.014 -11.636 0.255 1.00 0.00 C ATOM 901 C ARG A 61 -2.374 -12.091 -0.282 1.00 0.00 C ATOM 902 O ARG A 61 -3.029 -12.949 0.317 1.00 0.00 O ATOM 903 CB ARG A 61 -0.041 -12.821 0.290 1.00 0.00 C ATOM 904 CG ARG A 61 0.814 -12.946 -0.962 1.00 0.00 C ATOM 905 CD ARG A 61 0.651 -14.310 -1.619 1.00 0.00 C ATOM 906 NE ARG A 61 1.592 -15.299 -1.089 1.00 0.00 N ATOM 907 CZ ARG A 61 1.469 -16.618 -1.262 1.00 0.00 C ATOM 908 NH1 ARG A 61 0.448 -17.116 -1.954 1.00 0.00 N ATOM 909 NH2 ARG A 61 2.372 -17.443 -0.744 1.00 0.00 N ATOM 0 H ARG A 61 -0.659 -11.556 2.326 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.622 -10.871 -0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.612 -12.718 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.608 -13.742 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.539 -12.165 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.861 -12.788 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.369 -14.664 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.798 -14.212 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 61 2.391 -14.960 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.249 -16.490 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.362 -18.124 -2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.159 -17.069 -0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.278 -18.450 -0.876 1.00 0.00 H new ATOM 923 N LEU A 62 -2.790 -11.508 -1.416 1.00 0.00 N ATOM 924 CA LEU A 62 -4.071 -11.840 -2.047 1.00 0.00 C ATOM 925 C LEU A 62 -5.246 -11.566 -1.101 1.00 0.00 C ATOM 926 O LEU A 62 -5.049 -11.174 0.052 1.00 0.00 O ATOM 927 CB LEU A 62 -4.084 -13.305 -2.502 1.00 0.00 C ATOM 928 CG LEU A 62 -3.561 -13.550 -3.922 1.00 0.00 C ATOM 929 CD1 LEU A 62 -2.107 -14.001 -3.889 1.00 0.00 C ATOM 930 CD2 LEU A 62 -4.428 -14.578 -4.638 1.00 0.00 C ATOM 0 H LEU A 62 -2.252 -10.800 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.186 -11.200 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.485 -13.891 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.105 -13.680 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.613 -12.612 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.755 -14.169 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.498 -13.230 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.026 -14.927 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.043 -14.741 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.409 -15.518 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.453 -14.212 -4.696 1.00 0.00 H new ATOM 942 N ILE A 63 -6.470 -11.770 -1.596 1.00 0.00 N ATOM 943 CA ILE A 63 -7.673 -11.545 -0.790 1.00 0.00 C ATOM 944 C ILE A 63 -8.825 -12.440 -1.245 1.00 0.00 C ATOM 945 O ILE A 63 -9.096 -12.559 -2.441 1.00 0.00 O ATOM 946 CB ILE A 63 -8.136 -10.068 -0.840 1.00 0.00 C ATOM 947 CG1 ILE A 63 -8.235 -9.574 -2.288 1.00 0.00 C ATOM 948 CG2 ILE A 63 -7.193 -9.183 -0.038 1.00 0.00 C ATOM 949 CD1 ILE A 63 -9.378 -8.607 -2.523 1.00 0.00 C ATOM 0 H ILE A 63 -6.654 -12.089 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.403 -11.795 0.236 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.128 -10.010 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.298 -9.089 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.355 -10.433 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.535 -8.149 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.179 -9.513 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.188 -9.252 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.386 -8.300 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.322 -9.094 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.249 -7.730 -1.889 1.00 0.00 H new ATOM 961 N LYS A 64 -9.503 -13.068 -0.279 1.00 0.00 N ATOM 962 CA LYS A 64 -10.628 -13.952 -0.577 1.00 0.00 C ATOM 963 C LYS A 64 -11.685 -13.888 0.527 1.00 0.00 C ATOM 964 O LYS A 64 -11.393 -14.160 1.693 1.00 0.00 O ATOM 965 CB LYS A 64 -10.140 -15.394 -0.751 1.00 0.00 C ATOM 966 CG LYS A 64 -9.815 -15.755 -2.193 1.00 0.00 C ATOM 967 CD LYS A 64 -8.888 -16.960 -2.278 1.00 0.00 C ATOM 968 CE LYS A 64 -9.602 -18.250 -1.896 1.00 0.00 C ATOM 969 NZ LYS A 64 -9.192 -18.746 -0.550 1.00 0.00 N ATOM 0 H LYS A 64 -9.290 -12.979 0.715 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.083 -13.614 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.251 -15.545 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.904 -16.075 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.738 -15.968 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.348 -14.902 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.497 -17.047 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.033 -16.808 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.679 -18.084 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.390 -19.015 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.704 -19.625 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.169 -18.931 -0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.418 -18.028 0.168 1.00 0.00 H new ATOM 983 N GLY A 65 -12.911 -13.525 0.146 1.00 0.00 N ATOM 984 CA GLY A 65 -14.000 -13.428 1.107 1.00 0.00 C ATOM 985 C GLY A 65 -15.319 -13.046 0.458 1.00 0.00 C ATOM 986 O GLY A 65 -15.445 -13.077 -0.769 1.00 0.00 O ATOM 0 H GLY A 65 -13.169 -13.296 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.114 -14.384 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.745 -12.688 1.866 1.00 0.00 H new ATOM 990 N GLY A 66 -16.304 -12.683 1.284 1.00 0.00 N ATOM 991 CA GLY A 66 -17.610 -12.297 0.771 1.00 0.00 C ATOM 992 C GLY A 66 -18.754 -13.049 1.433 1.00 0.00 C ATOM 993 O GLY A 66 -19.897 -12.546 1.388 1.00 0.00 O ATOM 0 H GLY A 66 -16.219 -12.650 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.751 -11.227 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.639 -12.475 -0.304 1.00 0.00 H new TER 997 GLY A 66