USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -76:sc= 1.14 USER MOD Set 1.2: A 97 THR OG1 : rot -149:sc= 0.699 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.315 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.81 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -45:sc= 0.674 USER MOD Single : A 30 SER OG : rot 113:sc= -0.165 USER MOD Single : A 32 ASN : amide:sc= -1.52 K(o=-1.5,f=-4.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.788 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 42 GLN : amide:sc= -1.85 K(o=-1.8,f=-6.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0696 X(o=-0.07,f=-0.3) USER MOD Single : A 60 THR OG1 : rot 115:sc= 0.365 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.319 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.163 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 82 ASN : amide:sc= -2.37! C(o=-2.4!,f=-13!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 122:sc= -0.41 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.495 -15.043 1.672 1.00 0.00 N ATOM 60 CA GLY A 7 16.365 -13.813 0.913 1.00 0.00 C ATOM 61 C GLY A 7 16.645 -12.582 1.752 1.00 0.00 C ATOM 62 O GLY A 7 17.188 -12.666 2.854 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.053 -13.837 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.357 -13.748 0.502 1.00 0.00 H new ATOM 66 N PRO A 8 16.271 -11.406 1.227 1.00 0.00 N ATOM 67 CA PRO A 8 16.476 -10.130 1.919 1.00 0.00 C ATOM 68 C PRO A 8 15.577 -9.982 3.141 1.00 0.00 C ATOM 69 O PRO A 8 14.724 -10.830 3.404 1.00 0.00 O ATOM 70 CB PRO A 8 16.110 -9.089 0.857 1.00 0.00 C ATOM 71 CG PRO A 8 15.172 -9.796 -0.059 1.00 0.00 C ATOM 72 CD PRO A 8 15.618 -11.232 -0.081 1.00 0.00 C ATOM 0 HA PRO A 8 17.492 -10.032 2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.641 -8.214 1.306 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.994 -8.739 0.325 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.144 -9.712 0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.202 -9.363 -1.059 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.775 -11.913 -0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.307 -11.426 -0.903 1.00 0.00 H new ATOM 80 N LYS A 9 15.772 -8.899 3.886 1.00 0.00 N ATOM 81 CA LYS A 9 14.978 -8.638 5.081 1.00 0.00 C ATOM 82 C LYS A 9 13.875 -7.625 4.790 1.00 0.00 C ATOM 83 O LYS A 9 13.970 -6.815 3.868 1.00 0.00 O ATOM 84 CB LYS A 9 15.873 -8.123 6.211 1.00 0.00 C ATOM 85 CG LYS A 9 16.726 -9.204 6.851 1.00 0.00 C ATOM 86 CD LYS A 9 15.931 -10.020 7.856 1.00 0.00 C ATOM 87 CE LYS A 9 16.533 -11.403 8.052 1.00 0.00 C ATOM 88 NZ LYS A 9 17.607 -11.399 9.083 1.00 0.00 N ATOM 0 H LYS A 9 16.474 -8.187 3.683 1.00 0.00 H new ATOM 0 HA LYS A 9 14.515 -9.575 5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.525 -7.342 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.249 -7.663 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.121 -9.863 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.582 -8.747 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.903 -9.496 8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.900 -10.116 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.750 -12.102 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.939 -11.760 7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.992 -12.360 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.367 -10.752 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.214 -11.083 9.993 1.00 0.00 H new ATOM 102 N PRO A 10 12.804 -7.668 5.596 1.00 0.00 N ATOM 103 CA PRO A 10 11.663 -6.760 5.446 1.00 0.00 C ATOM 104 C PRO A 10 12.012 -5.324 5.824 1.00 0.00 C ATOM 105 O PRO A 10 12.837 -5.071 6.703 1.00 0.00 O ATOM 106 CB PRO A 10 10.625 -7.331 6.415 1.00 0.00 C ATOM 107 CG PRO A 10 11.424 -8.060 7.439 1.00 0.00 C ATOM 108 CD PRO A 10 12.624 -8.607 6.716 1.00 0.00 C ATOM 0 HA PRO A 10 11.318 -6.706 4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.029 -6.539 6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.932 -7.999 5.904 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.726 -7.393 8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.841 -8.863 7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.502 -8.637 7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.452 -9.624 6.364 1.00 0.00 H new ATOM 116 N PRO A 11 11.370 -4.360 5.147 1.00 0.00 N ATOM 117 CA PRO A 11 11.596 -2.933 5.396 1.00 0.00 C ATOM 118 C PRO A 11 11.046 -2.487 6.747 1.00 0.00 C ATOM 119 O PRO A 11 10.261 -3.198 7.374 1.00 0.00 O ATOM 120 CB PRO A 11 10.835 -2.250 4.257 1.00 0.00 C ATOM 121 CG PRO A 11 9.779 -3.226 3.868 1.00 0.00 C ATOM 122 CD PRO A 11 10.374 -4.589 4.087 1.00 0.00 C ATOM 0 HA PRO A 11 12.657 -2.687 5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.400 -1.305 4.582 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.495 -2.026 3.419 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.881 -3.091 4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.487 -3.090 2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.619 -5.312 4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.836 -4.977 3.179 1.00 0.00 H new ATOM 130 N ILE A 12 11.464 -1.305 7.189 1.00 0.00 N ATOM 131 CA ILE A 12 11.012 -0.764 8.464 1.00 0.00 C ATOM 132 C ILE A 12 10.461 0.648 8.297 1.00 0.00 C ATOM 133 O ILE A 12 10.413 1.180 7.188 1.00 0.00 O ATOM 134 CB ILE A 12 12.151 -0.740 9.501 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.345 0.049 8.960 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.565 -2.157 9.865 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.488 0.165 9.945 1.00 0.00 C ATOM 0 H ILE A 12 12.115 -0.705 6.683 1.00 0.00 H new ATOM 0 HA ILE A 12 10.219 -1.421 8.823 1.00 0.00 H new ATOM 0 HB ILE A 12 11.792 -0.245 10.403 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.706 -0.432 8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.013 1.049 8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.371 -2.124 10.599 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.712 -2.688 10.287 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.910 -2.676 8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.300 0.736 9.495 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.142 0.673 10.845 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.846 -0.831 10.205 1.00 0.00 H new ATOM 149 N ASP A 13 10.049 1.251 9.407 1.00 0.00 N ATOM 150 CA ASP A 13 9.504 2.604 9.385 1.00 0.00 C ATOM 151 C ASP A 13 8.380 2.721 8.360 1.00 0.00 C ATOM 152 O ASP A 13 8.280 3.718 7.644 1.00 0.00 O ATOM 153 CB ASP A 13 10.606 3.616 9.070 1.00 0.00 C ATOM 154 CG ASP A 13 10.334 4.977 9.679 1.00 0.00 C ATOM 155 OD1 ASP A 13 10.068 5.040 10.898 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.387 5.980 8.936 1.00 0.00 O ATOM 0 H ASP A 13 10.082 0.825 10.333 1.00 0.00 H new ATOM 0 HA ASP A 13 9.095 2.820 10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.559 3.239 9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.703 3.718 7.989 1.00 0.00 H new ATOM 161 N LEU A 14 7.539 1.695 8.293 1.00 0.00 N ATOM 162 CA LEU A 14 6.422 1.682 7.354 1.00 0.00 C ATOM 163 C LEU A 14 5.261 2.520 7.877 1.00 0.00 C ATOM 164 O LEU A 14 4.597 2.146 8.844 1.00 0.00 O ATOM 165 CB LEU A 14 5.958 0.246 7.103 1.00 0.00 C ATOM 166 CG LEU A 14 5.279 -0.015 5.758 1.00 0.00 C ATOM 167 CD1 LEU A 14 6.301 0.003 4.632 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.536 -1.343 5.785 1.00 0.00 C ATOM 0 H LEU A 14 7.609 0.862 8.877 1.00 0.00 H new ATOM 0 HA LEU A 14 6.764 2.116 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.822 -0.413 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.266 -0.035 7.897 1.00 0.00 H new ATOM 0 HG LEU A 14 4.556 0.780 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.800 -0.185 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.789 0.977 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.048 -0.771 4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.059 -1.513 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.240 -2.150 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.776 -1.319 6.566 1.00 0.00 H new ATOM 180 N VAL A 15 5.018 3.656 7.229 1.00 0.00 N ATOM 181 CA VAL A 15 3.934 4.546 7.627 1.00 0.00 C ATOM 182 C VAL A 15 3.367 5.292 6.424 1.00 0.00 C ATOM 183 O VAL A 15 4.006 5.380 5.376 1.00 0.00 O ATOM 184 CB VAL A 15 4.406 5.570 8.676 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.249 5.989 9.571 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.549 5.000 9.501 1.00 0.00 C ATOM 0 H VAL A 15 5.557 3.981 6.427 1.00 0.00 H new ATOM 0 HA VAL A 15 3.155 3.921 8.064 1.00 0.00 H new ATOM 0 HB VAL A 15 4.771 6.455 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.601 6.713 10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.465 6.441 8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.851 5.114 10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.870 5.737 10.237 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.214 4.098 10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.384 4.755 8.845 1.00 0.00 H new ATOM 196 N VAL A 16 2.161 5.828 6.582 1.00 0.00 N ATOM 197 CA VAL A 16 1.506 6.568 5.510 1.00 0.00 C ATOM 198 C VAL A 16 1.537 8.068 5.779 1.00 0.00 C ATOM 199 O VAL A 16 1.243 8.518 6.887 1.00 0.00 O ATOM 200 CB VAL A 16 0.043 6.120 5.331 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.634 6.933 4.238 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.023 4.633 5.018 1.00 0.00 C ATOM 0 H VAL A 16 1.617 5.763 7.443 1.00 0.00 H new ATOM 0 HA VAL A 16 2.058 6.354 4.595 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.490 6.296 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.667 6.603 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.618 7.989 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.103 6.791 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.064 4.333 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.525 4.430 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.423 4.069 5.837 1.00 0.00 H new ATOM 212 N THR A 17 1.896 8.840 4.758 1.00 0.00 N ATOM 213 CA THR A 17 1.967 10.290 4.884 1.00 0.00 C ATOM 214 C THR A 17 0.810 10.962 4.153 1.00 0.00 C ATOM 215 O THR A 17 0.192 11.891 4.673 1.00 0.00 O ATOM 216 CB THR A 17 3.296 10.838 4.331 1.00 0.00 C ATOM 217 OG1 THR A 17 3.362 12.255 4.529 1.00 0.00 O ATOM 218 CG2 THR A 17 3.438 10.521 2.850 1.00 0.00 C ATOM 0 H THR A 17 2.142 8.485 3.834 1.00 0.00 H new ATOM 0 HA THR A 17 1.903 10.518 5.948 1.00 0.00 H new ATOM 0 HB THR A 17 4.113 10.358 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.211 12.595 4.176 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.384 10.918 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.417 9.441 2.705 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.615 10.977 2.300 1.00 0.00 H new ATOM 226 N GLU A 18 0.522 10.486 2.946 1.00 0.00 N ATOM 227 CA GLU A 18 -0.561 11.043 2.144 1.00 0.00 C ATOM 228 C GLU A 18 -1.593 9.971 1.804 1.00 0.00 C ATOM 229 O GLU A 18 -1.250 8.806 1.599 1.00 0.00 O ATOM 230 CB GLU A 18 -0.009 11.661 0.858 1.00 0.00 C ATOM 231 CG GLU A 18 0.431 13.107 1.018 1.00 0.00 C ATOM 232 CD GLU A 18 0.678 13.791 -0.313 1.00 0.00 C ATOM 233 OE1 GLU A 18 1.492 13.274 -1.105 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.056 14.846 -0.561 1.00 0.00 O ATOM 0 H GLU A 18 1.023 9.716 2.502 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.050 11.821 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.839 11.068 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.772 11.606 0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.332 13.657 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.342 13.142 1.615 1.00 0.00 H new ATOM 241 N THR A 19 -2.859 10.373 1.746 1.00 0.00 N ATOM 242 CA THR A 19 -3.941 9.448 1.433 1.00 0.00 C ATOM 243 C THR A 19 -4.974 10.099 0.522 1.00 0.00 C ATOM 244 O THR A 19 -5.702 11.003 0.936 1.00 0.00 O ATOM 245 CB THR A 19 -4.641 8.950 2.711 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.697 10.002 3.681 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.910 7.751 3.297 1.00 0.00 C ATOM 0 H THR A 19 -3.160 11.333 1.912 1.00 0.00 H new ATOM 0 HA THR A 19 -3.492 8.598 0.919 1.00 0.00 H new ATOM 0 HB THR A 19 -5.654 8.645 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.145 9.678 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.423 7.417 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.895 6.942 2.567 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.887 8.034 3.545 1.00 0.00 H new ATOM 255 N THR A 20 -5.035 9.635 -0.723 1.00 0.00 N ATOM 256 CA THR A 20 -5.980 10.173 -1.694 1.00 0.00 C ATOM 257 C THR A 20 -7.263 9.350 -1.726 1.00 0.00 C ATOM 258 O THR A 20 -7.277 8.188 -1.321 1.00 0.00 O ATOM 259 CB THR A 20 -5.371 10.211 -3.108 1.00 0.00 C ATOM 260 OG1 THR A 20 -3.947 10.330 -3.025 1.00 0.00 O ATOM 261 CG2 THR A 20 -5.937 11.374 -3.910 1.00 0.00 C ATOM 0 H THR A 20 -4.441 8.888 -1.082 1.00 0.00 H new ATOM 0 HA THR A 20 -6.213 11.190 -1.380 1.00 0.00 H new ATOM 0 HB THR A 20 -5.628 9.281 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.597 10.667 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.492 11.380 -4.905 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.018 11.264 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.707 12.311 -3.404 1.00 0.00 H new ATOM 269 N ALA A 21 -8.339 9.960 -2.212 1.00 0.00 N ATOM 270 CA ALA A 21 -9.627 9.283 -2.300 1.00 0.00 C ATOM 271 C ALA A 21 -9.514 7.992 -3.105 1.00 0.00 C ATOM 272 O ALA A 21 -10.263 7.041 -2.881 1.00 0.00 O ATOM 273 CB ALA A 21 -10.667 10.204 -2.919 1.00 0.00 C ATOM 0 H ALA A 21 -8.344 10.922 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.943 9.024 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.624 9.685 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.776 11.096 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.348 10.492 -3.921 1.00 0.00 H new ATOM 279 N THR A 22 -8.574 7.967 -4.045 1.00 0.00 N ATOM 280 CA THR A 22 -8.365 6.794 -4.884 1.00 0.00 C ATOM 281 C THR A 22 -6.886 6.432 -4.964 1.00 0.00 C ATOM 282 O THR A 22 -6.466 5.689 -5.851 1.00 0.00 O ATOM 283 CB THR A 22 -8.904 7.020 -6.309 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.168 8.068 -6.951 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.382 7.377 -6.278 1.00 0.00 C ATOM 0 H THR A 22 -7.946 8.746 -4.244 1.00 0.00 H new ATOM 0 HA THR A 22 -8.913 5.973 -4.422 1.00 0.00 H new ATOM 0 HB THR A 22 -8.782 6.094 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.516 8.204 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.740 7.532 -7.296 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.943 6.565 -5.816 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.524 8.291 -5.700 1.00 0.00 H new ATOM 293 N SER A 23 -6.101 6.961 -4.031 1.00 0.00 N ATOM 294 CA SER A 23 -4.667 6.695 -3.999 1.00 0.00 C ATOM 295 C SER A 23 -4.122 6.829 -2.580 1.00 0.00 C ATOM 296 O SER A 23 -4.817 7.297 -1.677 1.00 0.00 O ATOM 297 CB SER A 23 -3.928 7.655 -4.933 1.00 0.00 C ATOM 298 OG SER A 23 -4.734 8.008 -6.043 1.00 0.00 O ATOM 0 H SER A 23 -6.433 7.576 -3.288 1.00 0.00 H new ATOM 0 HA SER A 23 -4.504 5.672 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.644 8.554 -4.385 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.006 7.190 -5.282 1.00 0.00 H new ATOM 0 HG SER A 23 -4.240 8.623 -6.624 1.00 0.00 H new ATOM 304 N VAL A 24 -2.874 6.413 -2.390 1.00 0.00 N ATOM 305 CA VAL A 24 -2.234 6.486 -1.082 1.00 0.00 C ATOM 306 C VAL A 24 -0.715 6.504 -1.214 1.00 0.00 C ATOM 307 O VAL A 24 -0.158 5.988 -2.184 1.00 0.00 O ATOM 308 CB VAL A 24 -2.647 5.302 -0.188 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.560 3.994 -0.960 1.00 0.00 C ATOM 310 CG2 VAL A 24 -1.782 5.252 1.062 1.00 0.00 C ATOM 0 H VAL A 24 -2.286 6.022 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.567 7.415 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.683 5.445 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.855 3.169 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.226 4.035 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.536 3.840 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.087 4.409 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.737 5.132 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.901 6.178 1.624 1.00 0.00 H new ATOM 320 N THR A 25 -0.048 7.101 -0.231 1.00 0.00 N ATOM 321 CA THR A 25 1.407 7.186 -0.236 1.00 0.00 C ATOM 322 C THR A 25 2.006 6.441 0.951 1.00 0.00 C ATOM 323 O THR A 25 1.633 6.681 2.100 1.00 0.00 O ATOM 324 CB THR A 25 1.883 8.651 -0.201 1.00 0.00 C ATOM 325 OG1 THR A 25 1.383 9.356 -1.343 1.00 0.00 O ATOM 326 CG2 THR A 25 3.402 8.725 -0.179 1.00 0.00 C ATOM 0 H THR A 25 -0.493 7.533 0.579 1.00 0.00 H new ATOM 0 HA THR A 25 1.748 6.722 -1.162 1.00 0.00 H new ATOM 0 HB THR A 25 1.499 9.114 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.688 10.287 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.715 9.769 -0.154 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.778 8.212 0.706 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.803 8.247 -1.073 1.00 0.00 H new ATOM 334 N LEU A 26 2.936 5.536 0.666 1.00 0.00 N ATOM 335 CA LEU A 26 3.588 4.755 1.711 1.00 0.00 C ATOM 336 C LEU A 26 5.056 5.146 1.848 1.00 0.00 C ATOM 337 O LEU A 26 5.747 5.368 0.853 1.00 0.00 O ATOM 338 CB LEU A 26 3.474 3.260 1.405 1.00 0.00 C ATOM 339 CG LEU A 26 3.716 2.313 2.581 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.643 2.497 3.644 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.755 0.869 2.104 1.00 0.00 C ATOM 0 H LEU A 26 3.255 5.325 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 26 3.085 4.966 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.478 3.066 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.185 3.016 0.616 1.00 0.00 H new ATOM 0 HG LEU A 26 4.682 2.554 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.831 1.815 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.663 3.524 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.664 2.284 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.928 0.209 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.804 0.615 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.561 0.747 1.380 1.00 0.00 H new ATOM 353 N THR A 27 5.528 5.228 3.088 1.00 0.00 N ATOM 354 CA THR A 27 6.914 5.592 3.356 1.00 0.00 C ATOM 355 C THR A 27 7.591 4.558 4.248 1.00 0.00 C ATOM 356 O THR A 27 7.008 4.091 5.226 1.00 0.00 O ATOM 357 CB THR A 27 7.012 6.975 4.027 1.00 0.00 C ATOM 358 OG1 THR A 27 6.509 6.907 5.365 1.00 0.00 O ATOM 359 CG2 THR A 27 6.232 8.016 3.238 1.00 0.00 C ATOM 0 H THR A 27 4.971 5.047 3.923 1.00 0.00 H new ATOM 0 HA THR A 27 7.424 5.627 2.393 1.00 0.00 H new ATOM 0 HB THR A 27 8.061 7.270 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.671 6.399 5.374 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.316 8.984 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.637 8.086 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.183 7.724 3.188 1.00 0.00 H new ATOM 367 N TRP A 28 8.825 4.205 3.905 1.00 0.00 N ATOM 368 CA TRP A 28 9.582 3.226 4.677 1.00 0.00 C ATOM 369 C TRP A 28 11.074 3.339 4.385 1.00 0.00 C ATOM 370 O TRP A 28 11.487 4.084 3.497 1.00 0.00 O ATOM 371 CB TRP A 28 9.094 1.811 4.363 1.00 0.00 C ATOM 372 CG TRP A 28 9.460 1.348 2.986 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.594 0.681 2.620 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.690 1.520 1.791 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.575 0.428 1.269 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.418 0.931 0.738 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.456 2.111 1.508 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.951 0.920 -0.574 1.00 0.00 C ATOM 379 CZ3 TRP A 28 6.994 2.099 0.206 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.740 1.506 -0.822 1.00 0.00 C ATOM 0 H TRP A 28 9.322 4.582 3.098 1.00 0.00 H new ATOM 0 HA TRP A 28 9.421 3.432 5.735 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.513 1.120 5.094 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.010 1.775 4.474 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.389 0.394 3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.305 -0.056 0.747 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.873 2.569 2.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.525 0.465 -1.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.042 2.554 -0.024 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.351 1.512 -1.830 1.00 0.00 H new ATOM 391 N ASP A 29 11.878 2.594 5.137 1.00 0.00 N ATOM 392 CA ASP A 29 13.325 2.610 4.957 1.00 0.00 C ATOM 393 C ASP A 29 13.815 1.286 4.378 1.00 0.00 C ATOM 394 O ASP A 29 13.181 0.246 4.558 1.00 0.00 O ATOM 395 CB ASP A 29 14.023 2.888 6.289 1.00 0.00 C ATOM 396 CG ASP A 29 15.440 3.395 6.105 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.670 4.188 5.168 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.318 2.999 6.899 1.00 0.00 O ATOM 0 H ASP A 29 11.552 1.972 5.877 1.00 0.00 H new ATOM 0 HA ASP A 29 13.570 3.406 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.447 3.623 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.041 1.975 6.884 1.00 0.00 H new ATOM 403 N SER A 30 14.946 1.333 3.682 1.00 0.00 N ATOM 404 CA SER A 30 15.518 0.139 3.072 1.00 0.00 C ATOM 405 C SER A 30 15.545 -1.018 4.066 1.00 0.00 C ATOM 406 O SER A 30 15.085 -2.119 3.767 1.00 0.00 O ATOM 407 CB SER A 30 16.934 0.426 2.568 1.00 0.00 C ATOM 408 OG SER A 30 17.809 0.718 3.644 1.00 0.00 O ATOM 0 H SER A 30 15.484 2.185 3.527 1.00 0.00 H new ATOM 0 HA SER A 30 14.890 -0.144 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.308 -0.435 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.913 1.266 1.874 1.00 0.00 H new ATOM 0 HG SER A 30 18.476 0.004 3.726 1.00 0.00 H new ATOM 414 N GLY A 31 16.090 -0.760 5.251 1.00 0.00 N ATOM 415 CA GLY A 31 16.168 -1.789 6.272 1.00 0.00 C ATOM 416 C GLY A 31 17.353 -2.713 6.075 1.00 0.00 C ATOM 417 O GLY A 31 17.839 -3.321 7.027 1.00 0.00 O ATOM 0 H GLY A 31 16.479 0.143 5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.237 -1.319 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.249 -2.375 6.264 1.00 0.00 H new ATOM 421 N ASN A 32 17.819 -2.819 4.834 1.00 0.00 N ATOM 422 CA ASN A 32 18.954 -3.677 4.515 1.00 0.00 C ATOM 423 C ASN A 32 20.152 -2.849 4.061 1.00 0.00 C ATOM 424 O ASN A 32 20.039 -1.642 3.845 1.00 0.00 O ATOM 425 CB ASN A 32 18.570 -4.680 3.424 1.00 0.00 C ATOM 426 CG ASN A 32 17.706 -5.808 3.953 1.00 0.00 C ATOM 427 OD1 ASN A 32 18.214 -6.818 4.440 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.392 -5.640 3.860 1.00 0.00 N ATOM 0 H ASN A 32 17.428 -2.322 4.034 1.00 0.00 H new ATOM 0 HA ASN A 32 19.232 -4.220 5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.037 -4.160 2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.475 -5.096 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.760 -6.365 4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.015 -4.786 3.449 1.00 0.00 H new ATOM 475 N VAL A 36 19.553 -4.153 -2.976 1.00 0.00 N ATOM 476 CA VAL A 36 18.289 -4.796 -3.317 1.00 0.00 C ATOM 477 C VAL A 36 17.810 -4.365 -4.699 1.00 0.00 C ATOM 478 O VAL A 36 18.061 -3.241 -5.134 1.00 0.00 O ATOM 479 CB VAL A 36 17.196 -4.470 -2.282 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.151 -5.575 -2.243 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.811 -4.258 -0.907 1.00 0.00 C ATOM 0 HA VAL A 36 18.470 -5.871 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 36 16.702 -3.545 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.387 -5.327 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.689 -5.674 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.627 -6.517 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 36 17.024 -4.029 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.332 -5.164 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.518 -3.429 -0.948 1.00 0.00 H new ATOM 491 N THR A 37 17.116 -5.267 -5.386 1.00 0.00 N ATOM 492 CA THR A 37 16.601 -4.982 -6.720 1.00 0.00 C ATOM 493 C THR A 37 15.375 -4.079 -6.654 1.00 0.00 C ATOM 494 O THR A 37 15.376 -2.974 -7.197 1.00 0.00 O ATOM 495 CB THR A 37 16.232 -6.276 -7.469 1.00 0.00 C ATOM 496 OG1 THR A 37 17.371 -7.142 -7.541 1.00 0.00 O ATOM 497 CG2 THR A 37 15.735 -5.966 -8.872 1.00 0.00 C ATOM 0 H THR A 37 16.897 -6.202 -5.041 1.00 0.00 H new ATOM 0 HA THR A 37 17.396 -4.472 -7.263 1.00 0.00 H new ATOM 0 HB THR A 37 15.433 -6.773 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.128 -7.963 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.481 -6.895 -9.381 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.851 -5.331 -8.813 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.517 -5.449 -9.429 1.00 0.00 H new ATOM 505 N TYR A 38 14.330 -4.556 -5.986 1.00 0.00 N ATOM 506 CA TYR A 38 13.096 -3.792 -5.850 1.00 0.00 C ATOM 507 C TYR A 38 12.305 -4.247 -4.628 1.00 0.00 C ATOM 508 O TYR A 38 12.614 -5.272 -4.020 1.00 0.00 O ATOM 509 CB TYR A 38 12.240 -3.939 -7.109 1.00 0.00 C ATOM 510 CG TYR A 38 11.551 -5.280 -7.220 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.177 -6.357 -7.837 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.274 -5.472 -6.706 1.00 0.00 C ATOM 513 CE1 TYR A 38 11.551 -7.583 -7.940 1.00 0.00 C ATOM 514 CE2 TYR A 38 9.641 -6.696 -6.804 1.00 0.00 C ATOM 515 CZ TYR A 38 10.283 -7.748 -7.422 1.00 0.00 C ATOM 516 OH TYR A 38 9.656 -8.969 -7.522 1.00 0.00 O ATOM 0 H TYR A 38 14.313 -5.468 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 38 13.361 -2.743 -5.718 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.487 -3.151 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.870 -3.790 -7.986 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.170 -6.232 -8.243 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.768 -4.650 -6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.051 -8.409 -8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.649 -6.828 -6.399 1.00 0.00 H new ATOM 0 HH TYR A 38 8.770 -8.917 -7.106 1.00 0.00 H new ATOM 526 N TYR A 39 11.282 -3.477 -4.274 1.00 0.00 N ATOM 527 CA TYR A 39 10.446 -3.799 -3.123 1.00 0.00 C ATOM 528 C TYR A 39 8.989 -3.976 -3.540 1.00 0.00 C ATOM 529 O TYR A 39 8.313 -3.014 -3.902 1.00 0.00 O ATOM 530 CB TYR A 39 10.555 -2.700 -2.064 1.00 0.00 C ATOM 531 CG TYR A 39 11.948 -2.538 -1.500 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.005 -2.143 -2.311 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.208 -2.782 -0.158 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.280 -1.995 -1.801 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.480 -2.634 0.362 1.00 0.00 C ATOM 536 CZ TYR A 39 14.512 -2.241 -0.464 1.00 0.00 C ATOM 537 OH TYR A 39 15.781 -2.095 0.050 1.00 0.00 O ATOM 0 H TYR A 39 11.012 -2.626 -4.767 1.00 0.00 H new ATOM 0 HA TYR A 39 10.801 -4.739 -2.700 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.237 -1.753 -2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.866 -2.923 -1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.826 -1.948 -3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.402 -3.093 0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.091 -1.688 -2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.665 -2.825 1.409 1.00 0.00 H new ATOM 0 HH TYR A 39 15.773 -2.306 1.007 1.00 0.00 H new ATOM 547 N GLY A 40 8.512 -5.216 -3.487 1.00 0.00 N ATOM 548 CA GLY A 40 7.138 -5.499 -3.861 1.00 0.00 C ATOM 549 C GLY A 40 6.139 -4.920 -2.879 1.00 0.00 C ATOM 550 O GLY A 40 6.486 -4.613 -1.738 1.00 0.00 O ATOM 0 H GLY A 40 9.052 -6.029 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.944 -5.093 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.997 -6.578 -3.925 1.00 0.00 H new ATOM 554 N ILE A 41 4.896 -4.769 -3.323 1.00 0.00 N ATOM 555 CA ILE A 41 3.844 -4.222 -2.475 1.00 0.00 C ATOM 556 C ILE A 41 2.546 -5.007 -2.634 1.00 0.00 C ATOM 557 O ILE A 41 2.062 -5.205 -3.748 1.00 0.00 O ATOM 558 CB ILE A 41 3.576 -2.740 -2.795 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.844 -1.912 -2.579 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.438 -2.210 -1.936 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.713 -0.475 -3.034 1.00 0.00 C ATOM 0 H ILE A 41 4.593 -5.018 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 41 4.193 -4.306 -1.446 1.00 0.00 H new ATOM 0 HB ILE A 41 3.284 -2.657 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.102 -1.927 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.670 -2.380 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.261 -1.161 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.534 -2.785 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.703 -2.303 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.649 0.052 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.486 -0.450 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.909 0.010 -2.480 1.00 0.00 H new ATOM 573 N GLN A 42 1.988 -5.451 -1.512 1.00 0.00 N ATOM 574 CA GLN A 42 0.745 -6.213 -1.527 1.00 0.00 C ATOM 575 C GLN A 42 -0.340 -5.502 -0.725 1.00 0.00 C ATOM 576 O GLN A 42 -0.139 -5.154 0.439 1.00 0.00 O ATOM 577 CB GLN A 42 0.976 -7.616 -0.962 1.00 0.00 C ATOM 578 CG GLN A 42 1.652 -8.562 -1.941 1.00 0.00 C ATOM 579 CD GLN A 42 3.147 -8.326 -2.042 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.686 -7.410 -1.421 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.825 -9.154 -2.829 1.00 0.00 N ATOM 0 H GLN A 42 2.377 -5.296 -0.582 1.00 0.00 H new ATOM 0 HA GLN A 42 0.411 -6.295 -2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.587 -7.540 -0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.018 -8.040 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.470 -9.591 -1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.202 -8.442 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.337 -9.900 -3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.833 -9.044 -2.937 1.00 0.00 H new ATOM 590 N TYR A 43 -1.490 -5.288 -1.356 1.00 0.00 N ATOM 591 CA TYR A 43 -2.606 -4.615 -0.702 1.00 0.00 C ATOM 592 C TYR A 43 -3.936 -5.232 -1.122 1.00 0.00 C ATOM 593 O TYR A 43 -4.053 -5.802 -2.208 1.00 0.00 O ATOM 594 CB TYR A 43 -2.595 -3.122 -1.036 1.00 0.00 C ATOM 595 CG TYR A 43 -2.737 -2.832 -2.513 1.00 0.00 C ATOM 596 CD1 TYR A 43 -3.990 -2.665 -3.092 1.00 0.00 C ATOM 597 CD2 TYR A 43 -1.619 -2.722 -3.330 1.00 0.00 C ATOM 598 CE1 TYR A 43 -4.124 -2.400 -4.441 1.00 0.00 C ATOM 599 CE2 TYR A 43 -1.744 -2.456 -4.680 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.998 -2.296 -5.231 1.00 0.00 C ATOM 601 OH TYR A 43 -3.128 -2.031 -6.575 1.00 0.00 O ATOM 0 H TYR A 43 -1.673 -5.571 -2.319 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.492 -4.740 0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.406 -2.632 -0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.664 -2.684 -0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.874 -2.744 -2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.635 -2.847 -2.903 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.105 -2.275 -4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.864 -2.374 -5.301 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.240 -1.988 -6.987 1.00 0.00 H new ATOM 611 N ARG A 44 -4.936 -5.115 -0.255 1.00 0.00 N ATOM 612 CA ARG A 44 -6.258 -5.661 -0.535 1.00 0.00 C ATOM 613 C ARG A 44 -7.315 -5.007 0.350 1.00 0.00 C ATOM 614 O ARG A 44 -7.029 -4.591 1.472 1.00 0.00 O ATOM 615 CB ARG A 44 -6.264 -7.176 -0.319 1.00 0.00 C ATOM 616 CG ARG A 44 -7.643 -7.803 -0.442 1.00 0.00 C ATOM 617 CD ARG A 44 -7.667 -9.210 0.136 1.00 0.00 C ATOM 618 NE ARG A 44 -7.944 -9.208 1.570 1.00 0.00 N ATOM 619 CZ ARG A 44 -8.221 -10.305 2.266 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.257 -11.486 1.663 1.00 0.00 N ATOM 621 NH2 ARG A 44 -8.462 -10.223 3.568 1.00 0.00 N ATOM 0 H ARG A 44 -4.856 -4.647 0.648 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.498 -5.448 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.597 -7.641 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.861 -7.395 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.374 -7.183 0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.938 -7.834 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.425 -9.800 -0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.707 -9.694 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.924 -8.316 2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.072 -11.554 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.470 -12.327 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.435 -9.317 4.036 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.675 -11.066 4.101 1.00 0.00 H new ATOM 635 N ALA A 45 -8.538 -4.918 -0.164 1.00 0.00 N ATOM 636 CA ALA A 45 -9.638 -4.316 0.579 1.00 0.00 C ATOM 637 C ALA A 45 -9.853 -5.025 1.912 1.00 0.00 C ATOM 638 O ALA A 45 -10.327 -6.160 1.953 1.00 0.00 O ATOM 639 CB ALA A 45 -10.914 -4.347 -0.249 1.00 0.00 C ATOM 0 H ALA A 45 -8.791 -5.256 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.378 -3.278 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.727 -3.894 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.762 -3.789 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.169 -5.380 -0.486 1.00 0.00 H new ATOM 732 N GLN A 53 -3.357 -7.900 -4.151 1.00 0.00 N ATOM 733 CA GLN A 53 -2.667 -7.361 -5.317 1.00 0.00 C ATOM 734 C GLN A 53 -1.161 -7.574 -5.204 1.00 0.00 C ATOM 735 O GLN A 53 -0.653 -7.925 -4.140 1.00 0.00 O ATOM 736 CB GLN A 53 -2.973 -5.871 -5.474 1.00 0.00 C ATOM 737 CG GLN A 53 -4.457 -5.564 -5.595 1.00 0.00 C ATOM 738 CD GLN A 53 -5.090 -6.210 -6.811 1.00 0.00 C ATOM 739 OE1 GLN A 53 -4.499 -6.238 -7.892 1.00 0.00 O ATOM 740 NE2 GLN A 53 -6.298 -6.735 -6.643 1.00 0.00 N ATOM 0 HA GLN A 53 -3.026 -7.893 -6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.568 -5.333 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.459 -5.494 -6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.970 -5.909 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.598 -4.484 -5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.751 -6.690 -5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.773 -7.184 -7.427 1.00 0.00 H new ATOM 749 N GLU A 54 -0.454 -7.359 -6.309 1.00 0.00 N ATOM 750 CA GLU A 54 0.994 -7.529 -6.333 1.00 0.00 C ATOM 751 C GLU A 54 1.644 -6.525 -7.281 1.00 0.00 C ATOM 752 O GLU A 54 1.332 -6.485 -8.471 1.00 0.00 O ATOM 753 CB GLU A 54 1.356 -8.954 -6.757 1.00 0.00 C ATOM 754 CG GLU A 54 2.787 -9.342 -6.428 1.00 0.00 C ATOM 755 CD GLU A 54 3.321 -10.431 -7.339 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.945 -10.444 -8.530 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.115 -11.268 -6.862 1.00 0.00 O ATOM 0 H GLU A 54 -0.860 -7.067 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 54 1.371 -7.350 -5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.677 -9.653 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.199 -9.056 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.425 -8.462 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.839 -9.681 -5.393 1.00 0.00 H new ATOM 764 N VAL A 55 2.550 -5.714 -6.743 1.00 0.00 N ATOM 765 CA VAL A 55 3.245 -4.709 -7.540 1.00 0.00 C ATOM 766 C VAL A 55 4.754 -4.920 -7.494 1.00 0.00 C ATOM 767 O VAL A 55 5.349 -4.989 -6.419 1.00 0.00 O ATOM 768 CB VAL A 55 2.921 -3.284 -7.052 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.666 -2.253 -7.886 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.421 -3.035 -7.096 1.00 0.00 C ATOM 0 H VAL A 55 2.820 -5.733 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 55 2.896 -4.821 -8.567 1.00 0.00 H new ATOM 0 HB VAL A 55 3.252 -3.188 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.425 -1.252 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.739 -2.421 -7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.368 -2.346 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.210 -2.024 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.063 -3.149 -8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.914 -3.754 -6.452 1.00 0.00 H new ATOM 780 N ASP A 56 5.367 -5.020 -8.668 1.00 0.00 N ATOM 781 CA ASP A 56 6.809 -5.221 -8.763 1.00 0.00 C ATOM 782 C ASP A 56 7.449 -4.152 -9.644 1.00 0.00 C ATOM 783 O ASP A 56 6.946 -3.838 -10.722 1.00 0.00 O ATOM 784 CB ASP A 56 7.115 -6.611 -9.322 1.00 0.00 C ATOM 785 CG ASP A 56 6.655 -6.773 -10.757 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.457 -7.059 -10.968 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.492 -6.613 -11.670 1.00 0.00 O ATOM 0 H ASP A 56 4.889 -4.965 -9.567 1.00 0.00 H new ATOM 0 HA ASP A 56 7.230 -5.140 -7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.188 -6.794 -9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.630 -7.364 -8.701 1.00 0.00 H new ATOM 792 N GLY A 57 8.563 -3.597 -9.176 1.00 0.00 N ATOM 793 CA GLY A 57 9.253 -2.569 -9.933 1.00 0.00 C ATOM 794 C GLY A 57 9.454 -1.297 -9.134 1.00 0.00 C ATOM 795 O GLY A 57 9.471 -0.200 -9.693 1.00 0.00 O ATOM 0 H GLY A 57 9.000 -3.841 -8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.222 -2.949 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.684 -2.342 -10.834 1.00 0.00 H new ATOM 799 N VAL A 58 9.605 -1.442 -7.821 1.00 0.00 N ATOM 800 CA VAL A 58 9.805 -0.295 -6.943 1.00 0.00 C ATOM 801 C VAL A 58 11.255 -0.203 -6.481 1.00 0.00 C ATOM 802 O VAL A 58 11.638 -0.812 -5.482 1.00 0.00 O ATOM 803 CB VAL A 58 8.887 -0.367 -5.709 1.00 0.00 C ATOM 804 CG1 VAL A 58 9.189 0.776 -4.751 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.426 -0.348 -6.130 1.00 0.00 C ATOM 0 H VAL A 58 9.593 -2.342 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 58 9.554 0.594 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 58 9.079 -1.306 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.530 0.709 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.227 0.712 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.026 1.728 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.792 -0.400 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.216 0.573 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.222 -1.204 -6.773 1.00 0.00 H new ATOM 815 N ALA A 59 12.057 0.562 -7.213 1.00 0.00 N ATOM 816 CA ALA A 59 13.464 0.736 -6.877 1.00 0.00 C ATOM 817 C ALA A 59 13.662 1.922 -5.940 1.00 0.00 C ATOM 818 O ALA A 59 14.748 2.499 -5.872 1.00 0.00 O ATOM 819 CB ALA A 59 14.291 0.916 -8.141 1.00 0.00 C ATOM 0 H ALA A 59 11.756 1.072 -8.044 1.00 0.00 H new ATOM 0 HA ALA A 59 13.802 -0.162 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.340 1.045 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.183 0.036 -8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.943 1.797 -8.681 1.00 0.00 H new ATOM 825 N THR A 60 12.606 2.283 -5.218 1.00 0.00 N ATOM 826 CA THR A 60 12.663 3.402 -4.286 1.00 0.00 C ATOM 827 C THR A 60 12.111 3.009 -2.920 1.00 0.00 C ATOM 828 O THR A 60 11.531 1.935 -2.759 1.00 0.00 O ATOM 829 CB THR A 60 11.875 4.615 -4.816 1.00 0.00 C ATOM 830 OG1 THR A 60 10.563 4.208 -5.220 1.00 0.00 O ATOM 831 CG2 THR A 60 12.596 5.258 -5.991 1.00 0.00 C ATOM 0 H THR A 60 11.700 1.816 -5.261 1.00 0.00 H new ATOM 0 HA THR A 60 13.713 3.676 -4.185 1.00 0.00 H new ATOM 0 HB THR A 60 11.797 5.348 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.896 4.629 -4.638 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.020 6.112 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.583 5.593 -5.673 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.702 4.530 -6.795 1.00 0.00 H new ATOM 839 N THR A 61 12.295 3.886 -1.938 1.00 0.00 N ATOM 840 CA THR A 61 11.816 3.631 -0.586 1.00 0.00 C ATOM 841 C THR A 61 10.410 4.186 -0.386 1.00 0.00 C ATOM 842 O THR A 61 9.756 3.897 0.616 1.00 0.00 O ATOM 843 CB THR A 61 12.754 4.248 0.468 1.00 0.00 C ATOM 844 OG1 THR A 61 12.957 5.638 0.189 1.00 0.00 O ATOM 845 CG2 THR A 61 14.094 3.529 0.488 1.00 0.00 C ATOM 0 H THR A 61 12.773 4.780 -2.054 1.00 0.00 H new ATOM 0 HA THR A 61 11.798 2.549 -0.457 1.00 0.00 H new ATOM 0 HB THR A 61 12.287 4.138 1.447 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.553 6.024 0.865 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.739 3.983 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.939 2.477 0.729 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.565 3.611 -0.491 1.00 0.00 H new ATOM 853 N ARG A 62 9.952 4.982 -1.346 1.00 0.00 N ATOM 854 CA ARG A 62 8.623 5.578 -1.275 1.00 0.00 C ATOM 855 C ARG A 62 7.787 5.190 -2.491 1.00 0.00 C ATOM 856 O ARG A 62 8.230 5.332 -3.631 1.00 0.00 O ATOM 857 CB ARG A 62 8.728 7.101 -1.179 1.00 0.00 C ATOM 858 CG ARG A 62 7.583 7.744 -0.414 1.00 0.00 C ATOM 859 CD ARG A 62 7.818 9.232 -0.206 1.00 0.00 C ATOM 860 NE ARG A 62 8.943 9.489 0.690 1.00 0.00 N ATOM 861 CZ ARG A 62 9.303 10.704 1.088 1.00 0.00 C ATOM 862 NH1 ARG A 62 8.630 11.768 0.672 1.00 0.00 N ATOM 863 NH2 ARG A 62 10.338 10.856 1.904 1.00 0.00 N ATOM 0 H ARG A 62 10.481 5.229 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 62 8.129 5.198 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.669 7.362 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.761 7.518 -2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.651 7.594 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.469 7.254 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.006 9.707 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.917 9.687 0.204 1.00 0.00 H new ATOM 0 HE ARG A 62 9.482 8.692 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.834 11.655 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.909 12.700 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.858 10.040 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.614 11.789 2.209 1.00 0.00 H new ATOM 877 N TYR A 63 6.579 4.700 -2.240 1.00 0.00 N ATOM 878 CA TYR A 63 5.682 4.289 -3.314 1.00 0.00 C ATOM 879 C TYR A 63 4.229 4.576 -2.950 1.00 0.00 C ATOM 880 O TYR A 63 3.836 4.473 -1.787 1.00 0.00 O ATOM 881 CB TYR A 63 5.861 2.800 -3.613 1.00 0.00 C ATOM 882 CG TYR A 63 5.017 2.309 -4.768 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.701 1.909 -4.573 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.537 2.246 -6.055 1.00 0.00 C ATOM 885 CE1 TYR A 63 2.928 1.460 -5.626 1.00 0.00 C ATOM 886 CE2 TYR A 63 4.771 1.799 -7.114 1.00 0.00 C ATOM 887 CZ TYR A 63 3.467 1.407 -6.894 1.00 0.00 C ATOM 888 OH TYR A 63 2.699 0.961 -7.946 1.00 0.00 O ATOM 0 H TYR A 63 6.198 4.577 -1.302 1.00 0.00 H new ATOM 0 HA TYR A 63 5.934 4.865 -4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.911 2.606 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.610 2.226 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.275 1.950 -3.581 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.558 2.552 -6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.907 1.152 -5.457 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.191 1.757 -8.108 1.00 0.00 H new ATOM 0 HH TYR A 63 3.228 0.987 -8.771 1.00 0.00 H new ATOM 898 N SER A 64 3.434 4.935 -3.953 1.00 0.00 N ATOM 899 CA SER A 64 2.024 5.240 -3.740 1.00 0.00 C ATOM 900 C SER A 64 1.135 4.219 -4.444 1.00 0.00 C ATOM 901 O SER A 64 1.430 3.788 -5.559 1.00 0.00 O ATOM 902 CB SER A 64 1.703 6.648 -4.245 1.00 0.00 C ATOM 903 OG SER A 64 1.890 6.742 -5.646 1.00 0.00 O ATOM 0 H SER A 64 3.742 5.022 -4.921 1.00 0.00 H new ATOM 0 HA SER A 64 1.825 5.192 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.673 6.901 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.341 7.373 -3.740 1.00 0.00 H new ATOM 0 HG SER A 64 1.677 7.651 -5.944 1.00 0.00 H new ATOM 909 N ILE A 65 0.046 3.838 -3.785 1.00 0.00 N ATOM 910 CA ILE A 65 -0.887 2.870 -4.348 1.00 0.00 C ATOM 911 C ILE A 65 -2.154 3.554 -4.848 1.00 0.00 C ATOM 912 O ILE A 65 -2.700 4.435 -4.185 1.00 0.00 O ATOM 913 CB ILE A 65 -1.271 1.793 -3.316 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.033 1.007 -2.881 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.323 0.858 -3.893 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.673 1.606 -1.685 1.00 0.00 C ATOM 0 H ILE A 65 -0.212 4.185 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.380 2.394 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.692 2.285 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.326 -0.016 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.666 0.954 -3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.584 0.102 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.213 1.430 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.927 0.371 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.541 0.997 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.997 2.619 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.010 1.634 -0.836 1.00 0.00 H new ATOM 928 N GLY A 66 -2.619 3.141 -6.023 1.00 0.00 N ATOM 929 CA GLY A 66 -3.821 3.723 -6.593 1.00 0.00 C ATOM 930 C GLY A 66 -4.812 2.673 -7.054 1.00 0.00 C ATOM 931 O GLY A 66 -4.510 1.480 -7.049 1.00 0.00 O ATOM 0 H GLY A 66 -2.185 2.413 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.296 4.366 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.549 4.357 -7.437 1.00 0.00 H new ATOM 935 N GLY A 67 -5.999 3.117 -7.454 1.00 0.00 N ATOM 936 CA GLY A 67 -7.020 2.194 -7.913 1.00 0.00 C ATOM 937 C GLY A 67 -7.890 1.681 -6.782 1.00 0.00 C ATOM 938 O GLY A 67 -8.564 0.660 -6.922 1.00 0.00 O ATOM 0 H GLY A 67 -6.272 4.100 -7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.647 2.690 -8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.544 1.350 -8.413 1.00 0.00 H new ATOM 942 N LEU A 68 -7.873 2.389 -5.658 1.00 0.00 N ATOM 943 CA LEU A 68 -8.665 1.999 -4.497 1.00 0.00 C ATOM 944 C LEU A 68 -9.980 2.771 -4.449 1.00 0.00 C ATOM 945 O LEU A 68 -10.199 3.691 -5.237 1.00 0.00 O ATOM 946 CB LEU A 68 -7.873 2.239 -3.211 1.00 0.00 C ATOM 947 CG LEU A 68 -6.421 1.757 -3.217 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.680 2.280 -1.996 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.364 0.238 -3.268 1.00 0.00 C ATOM 0 H LEU A 68 -7.320 3.236 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.892 0.937 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.879 3.308 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.395 1.748 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.932 2.149 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.649 1.927 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.691 3.370 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.169 1.918 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.324 -0.087 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.870 -0.175 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.857 -0.114 -4.174 1.00 0.00 H new ATOM 961 N SER A 69 -10.850 2.392 -3.519 1.00 0.00 N ATOM 962 CA SER A 69 -12.143 3.047 -3.369 1.00 0.00 C ATOM 963 C SER A 69 -12.101 4.083 -2.250 1.00 0.00 C ATOM 964 O SER A 69 -11.442 3.902 -1.226 1.00 0.00 O ATOM 965 CB SER A 69 -13.233 2.013 -3.081 1.00 0.00 C ATOM 966 OG SER A 69 -14.388 2.627 -2.535 1.00 0.00 O ATOM 0 H SER A 69 -10.682 1.634 -2.858 1.00 0.00 H new ATOM 0 HA SER A 69 -12.374 3.557 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.496 1.491 -4.001 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.853 1.264 -2.387 1.00 0.00 H new ATOM 0 HG SER A 69 -15.070 1.945 -2.362 1.00 0.00 H new ATOM 972 N PRO A 70 -12.821 5.197 -2.449 1.00 0.00 N ATOM 973 CA PRO A 70 -12.884 6.285 -1.468 1.00 0.00 C ATOM 974 C PRO A 70 -13.657 5.891 -0.214 1.00 0.00 C ATOM 975 O PRO A 70 -14.741 5.313 -0.297 1.00 0.00 O ATOM 976 CB PRO A 70 -13.616 7.399 -2.220 1.00 0.00 C ATOM 977 CG PRO A 70 -14.429 6.691 -3.248 1.00 0.00 C ATOM 978 CD PRO A 70 -13.631 5.481 -3.646 1.00 0.00 C ATOM 0 HA PRO A 70 -11.894 6.571 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.247 7.982 -1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.914 8.094 -2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.401 6.403 -2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.617 7.334 -4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.276 4.641 -3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.006 5.681 -4.516 1.00 0.00 H new ATOM 986 N PHE A 71 -13.093 6.208 0.947 1.00 0.00 N ATOM 987 CA PHE A 71 -13.730 5.887 2.219 1.00 0.00 C ATOM 988 C PHE A 71 -13.644 4.391 2.508 1.00 0.00 C ATOM 989 O PHE A 71 -14.535 3.816 3.133 1.00 0.00 O ATOM 990 CB PHE A 71 -15.194 6.332 2.208 1.00 0.00 C ATOM 991 CG PHE A 71 -15.715 6.713 3.564 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.051 7.652 4.337 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.869 6.133 4.065 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.528 8.003 5.586 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.351 6.481 5.313 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.680 7.418 6.074 1.00 0.00 C ATOM 0 H PHE A 71 -12.196 6.687 1.033 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.201 6.423 3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.302 7.182 1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.807 5.526 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.151 8.115 3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.398 5.400 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -15.000 8.734 6.180 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.251 6.021 5.692 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.055 7.693 7.049 1.00 0.00 H new ATOM 1006 N SER A 72 -12.565 3.767 2.047 1.00 0.00 N ATOM 1007 CA SER A 72 -12.363 2.337 2.251 1.00 0.00 C ATOM 1008 C SER A 72 -11.079 2.075 3.032 1.00 0.00 C ATOM 1009 O SER A 72 -10.239 2.963 3.181 1.00 0.00 O ATOM 1010 CB SER A 72 -12.313 1.610 0.906 1.00 0.00 C ATOM 1011 OG SER A 72 -11.119 1.916 0.205 1.00 0.00 O ATOM 0 H SER A 72 -11.817 4.229 1.530 1.00 0.00 H new ATOM 0 HA SER A 72 -13.204 1.956 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.378 0.534 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.175 1.894 0.303 1.00 0.00 H new ATOM 0 HG SER A 72 -11.186 2.815 -0.178 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.934 0.850 3.528 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.753 0.472 4.294 1.00 0.00 C ATOM 1019 C GLU A 73 -8.949 -0.598 3.561 1.00 0.00 C ATOM 1020 O GLU A 73 -9.502 -1.593 3.091 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.157 -0.038 5.679 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.073 0.130 6.730 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.492 -0.396 8.089 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -9.885 -1.578 8.173 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.426 0.375 9.069 1.00 0.00 O ATOM 0 H GLU A 73 -11.619 0.103 3.413 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.128 1.357 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.052 0.492 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.420 -1.093 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.173 -0.391 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.816 1.186 6.816 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.641 -0.386 3.467 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.760 -1.330 2.789 1.00 0.00 C ATOM 1034 C TYR A 74 -5.502 -1.589 3.612 1.00 0.00 C ATOM 1035 O TYR A 74 -5.000 -0.698 4.296 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.378 -0.800 1.406 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.400 -1.108 0.336 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.493 -0.274 0.130 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.275 -2.233 -0.470 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.430 -0.551 -0.846 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.207 -2.518 -1.449 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.282 -1.674 -1.633 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.213 -1.955 -2.607 1.00 0.00 O ATOM 0 H TYR A 74 -7.167 0.431 3.852 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.297 -2.271 2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.241 0.280 1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.419 -1.228 1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.611 0.606 0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.434 -2.896 -0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.273 0.108 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.094 -3.397 -2.067 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.961 -2.780 -3.072 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.998 -2.817 3.540 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.798 -3.194 4.275 1.00 0.00 C ATOM 1055 C ALA A 75 -2.581 -3.237 3.356 1.00 0.00 C ATOM 1056 O ALA A 75 -2.494 -4.081 2.464 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.996 -4.541 4.954 1.00 0.00 C ATOM 0 H ALA A 75 -5.403 -3.567 2.980 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.618 -2.437 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.091 -4.810 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.834 -4.479 5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.205 -5.301 4.201 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.645 -2.320 3.579 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.434 -2.252 2.769 1.00 0.00 C ATOM 1065 C PHE A 76 0.715 -2.995 3.445 1.00 0.00 C ATOM 1066 O PHE A 76 0.752 -3.120 4.669 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.040 -0.794 2.524 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.120 0.016 1.866 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.310 -0.041 0.495 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.945 0.836 2.620 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.303 0.703 -0.113 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.940 1.582 2.017 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.119 1.516 0.649 1.00 0.00 C ATOM 0 H PHE A 76 -1.702 -1.614 4.313 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.640 -2.731 1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.221 -0.332 3.476 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.854 -0.767 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.674 -0.675 -0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.809 0.893 3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.441 0.649 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.577 2.216 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.896 2.099 0.176 1.00 0.00 H new ATOM 1083 N ARG A 77 1.650 -3.486 2.639 1.00 0.00 N ATOM 1084 CA ARG A 77 2.799 -4.218 3.158 1.00 0.00 C ATOM 1085 C ARG A 77 3.896 -4.327 2.103 1.00 0.00 C ATOM 1086 O ARG A 77 3.702 -4.936 1.051 1.00 0.00 O ATOM 1087 CB ARG A 77 2.377 -5.615 3.616 1.00 0.00 C ATOM 1088 CG ARG A 77 1.961 -6.530 2.475 1.00 0.00 C ATOM 1089 CD ARG A 77 0.870 -7.498 2.907 1.00 0.00 C ATOM 1090 NE ARG A 77 1.409 -8.631 3.655 1.00 0.00 N ATOM 1091 CZ ARG A 77 0.701 -9.339 4.527 1.00 0.00 C ATOM 1092 NH1 ARG A 77 -0.569 -9.034 4.759 1.00 0.00 N ATOM 1093 NH2 ARG A 77 1.261 -10.357 5.168 1.00 0.00 N ATOM 0 H ARG A 77 1.635 -3.390 1.624 1.00 0.00 H new ATOM 0 HA ARG A 77 3.193 -3.667 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.203 -6.076 4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.548 -5.523 4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.606 -5.930 1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.827 -7.090 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.141 -6.971 3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.340 -7.863 2.027 1.00 0.00 H new ATOM 0 HE ARG A 77 2.382 -8.893 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.004 -8.254 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.110 -9.580 5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.237 -10.596 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.716 -10.900 5.838 1.00 0.00 H new ATOM 1107 N VAL A 78 5.049 -3.731 2.392 1.00 0.00 N ATOM 1108 CA VAL A 78 6.178 -3.761 1.469 1.00 0.00 C ATOM 1109 C VAL A 78 7.147 -4.883 1.824 1.00 0.00 C ATOM 1110 O VAL A 78 7.163 -5.371 2.955 1.00 0.00 O ATOM 1111 CB VAL A 78 6.937 -2.422 1.468 1.00 0.00 C ATOM 1112 CG1 VAL A 78 7.965 -2.392 0.347 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.965 -1.258 1.343 1.00 0.00 C ATOM 0 H VAL A 78 5.226 -3.222 3.258 1.00 0.00 H new ATOM 0 HA VAL A 78 5.770 -3.939 0.474 1.00 0.00 H new ATOM 0 HB VAL A 78 7.466 -2.323 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.492 -1.438 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.680 -3.203 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.461 -2.513 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.519 -0.319 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.407 -1.349 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.272 -1.271 2.184 1.00 0.00 H new ATOM 1123 N LEU A 79 7.956 -5.288 0.851 1.00 0.00 N ATOM 1124 CA LEU A 79 8.931 -6.353 1.060 1.00 0.00 C ATOM 1125 C LEU A 79 10.100 -6.218 0.089 1.00 0.00 C ATOM 1126 O LEU A 79 9.905 -6.054 -1.115 1.00 0.00 O ATOM 1127 CB LEU A 79 8.267 -7.720 0.889 1.00 0.00 C ATOM 1128 CG LEU A 79 7.344 -7.872 -0.321 1.00 0.00 C ATOM 1129 CD1 LEU A 79 8.129 -8.349 -1.534 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.207 -8.833 -0.008 1.00 0.00 C ATOM 0 H LEU A 79 7.956 -4.895 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 79 9.314 -6.267 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.050 -8.476 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.692 -7.937 1.789 1.00 0.00 H new ATOM 0 HG LEU A 79 6.915 -6.897 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.456 -8.452 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.907 -7.624 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.587 -9.314 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.561 -8.929 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.617 -9.810 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.628 -8.450 0.832 1.00 0.00 H new ATOM 1142 N ALA A 80 11.316 -6.291 0.622 1.00 0.00 N ATOM 1143 CA ALA A 80 12.516 -6.181 -0.197 1.00 0.00 C ATOM 1144 C ALA A 80 12.678 -7.400 -1.100 1.00 0.00 C ATOM 1145 O ALA A 80 12.373 -8.524 -0.703 1.00 0.00 O ATOM 1146 CB ALA A 80 13.744 -6.010 0.686 1.00 0.00 C ATOM 0 H ALA A 80 11.495 -6.426 1.617 1.00 0.00 H new ATOM 0 HA ALA A 80 12.413 -5.301 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.633 -5.929 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.638 -5.106 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.841 -6.873 1.345 1.00 0.00 H new ATOM 1152 N VAL A 81 13.158 -7.168 -2.318 1.00 0.00 N ATOM 1153 CA VAL A 81 13.361 -8.247 -3.277 1.00 0.00 C ATOM 1154 C VAL A 81 14.657 -8.054 -4.056 1.00 0.00 C ATOM 1155 O VAL A 81 15.026 -6.932 -4.398 1.00 0.00 O ATOM 1156 CB VAL A 81 12.187 -8.342 -4.271 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.339 -9.565 -5.161 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.861 -8.375 -3.527 1.00 0.00 C ATOM 0 H VAL A 81 13.413 -6.243 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 81 13.419 -9.173 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 81 12.199 -7.456 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.501 -9.615 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.271 -9.494 -5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.354 -10.464 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.043 -8.442 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.836 -9.241 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.752 -7.465 -2.937 1.00 0.00 H new ATOM 1168 N ASN A 82 15.344 -9.157 -4.333 1.00 0.00 N ATOM 1169 CA ASN A 82 16.601 -9.110 -5.072 1.00 0.00 C ATOM 1170 C ASN A 82 16.839 -10.415 -5.825 1.00 0.00 C ATOM 1171 O ASN A 82 16.014 -11.328 -5.782 1.00 0.00 O ATOM 1172 CB ASN A 82 17.767 -8.838 -4.119 1.00 0.00 C ATOM 1173 CG ASN A 82 18.273 -10.101 -3.450 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.091 -10.829 -4.011 1.00 0.00 O ATOM 1175 ND2 ASN A 82 17.787 -10.366 -2.243 1.00 0.00 N ATOM 0 H ASN A 82 15.052 -10.095 -4.057 1.00 0.00 H new ATOM 0 HA ASN A 82 16.537 -8.299 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.582 -8.371 -4.671 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.451 -8.127 -3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.091 -11.202 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.110 -9.734 -1.816 1.00 0.00 H new ATOM 1182 N SER A 83 17.973 -10.497 -6.514 1.00 0.00 N ATOM 1183 CA SER A 83 18.318 -11.689 -7.279 1.00 0.00 C ATOM 1184 C SER A 83 17.825 -12.949 -6.574 1.00 0.00 C ATOM 1185 O SER A 83 17.165 -13.794 -7.179 1.00 0.00 O ATOM 1186 CB SER A 83 19.832 -11.766 -7.487 1.00 0.00 C ATOM 1187 OG SER A 83 20.250 -10.896 -8.524 1.00 0.00 O ATOM 0 H SER A 83 18.668 -9.752 -6.558 1.00 0.00 H new ATOM 0 HA SER A 83 17.828 -11.622 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.343 -11.504 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.117 -12.790 -7.730 1.00 0.00 H new ATOM 0 HG SER A 83 21.221 -10.963 -8.636 1.00 0.00 H new ATOM 1193 N ILE A 84 18.151 -13.067 -5.291 1.00 0.00 N ATOM 1194 CA ILE A 84 17.741 -14.223 -4.503 1.00 0.00 C ATOM 1195 C ILE A 84 16.232 -14.431 -4.576 1.00 0.00 C ATOM 1196 O ILE A 84 15.760 -15.483 -5.006 1.00 0.00 O ATOM 1197 CB ILE A 84 18.156 -14.074 -3.027 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.656 -13.791 -2.923 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.792 -15.327 -2.246 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.491 -14.592 -3.897 1.00 0.00 C ATOM 0 H ILE A 84 18.697 -12.377 -4.776 1.00 0.00 H new ATOM 0 HA ILE A 84 18.246 -15.090 -4.929 1.00 0.00 H new ATOM 0 HB ILE A 84 17.616 -13.231 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.830 -12.729 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.989 -14.008 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.091 -15.207 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.715 -15.488 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.308 -16.186 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.543 -14.340 -3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.347 -15.656 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.185 -14.358 -4.917 1.00 0.00 H new ATOM 1212 N GLY A 85 15.479 -13.419 -4.156 1.00 0.00 N ATOM 1213 CA GLY A 85 14.031 -13.510 -4.183 1.00 0.00 C ATOM 1214 C GLY A 85 13.366 -12.428 -3.356 1.00 0.00 C ATOM 1215 O GLY A 85 14.026 -11.498 -2.892 1.00 0.00 O ATOM 0 H GLY A 85 15.846 -12.538 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.685 -13.439 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.725 -14.487 -3.811 1.00 0.00 H new ATOM 1219 N ARG A 86 12.055 -12.547 -3.172 1.00 0.00 N ATOM 1220 CA ARG A 86 11.300 -11.570 -2.397 1.00 0.00 C ATOM 1221 C ARG A 86 11.199 -11.996 -0.936 1.00 0.00 C ATOM 1222 O ARG A 86 10.810 -13.122 -0.632 1.00 0.00 O ATOM 1223 CB ARG A 86 9.900 -11.393 -2.986 1.00 0.00 C ATOM 1224 CG ARG A 86 9.100 -12.684 -3.054 1.00 0.00 C ATOM 1225 CD ARG A 86 7.645 -12.420 -3.410 1.00 0.00 C ATOM 1226 NE ARG A 86 6.830 -12.159 -2.227 1.00 0.00 N ATOM 1227 CZ ARG A 86 5.502 -12.194 -2.227 1.00 0.00 C ATOM 1228 NH1 ARG A 86 4.843 -12.478 -3.342 1.00 0.00 N ATOM 1229 NH2 ARG A 86 4.830 -11.946 -1.110 1.00 0.00 N ATOM 0 H ARG A 86 11.494 -13.311 -3.549 1.00 0.00 H new ATOM 0 HA ARG A 86 11.829 -10.618 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.352 -10.667 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.987 -10.976 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.542 -13.349 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.153 -13.197 -2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.586 -11.567 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.241 -13.279 -3.946 1.00 0.00 H new ATOM 0 HE ARG A 86 7.306 -11.938 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.356 -12.670 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.823 -12.504 -3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.333 -11.728 -0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.810 -11.973 -1.112 1.00 0.00 H new ATOM 1243 N GLY A 87 11.553 -11.085 -0.033 1.00 0.00 N ATOM 1244 CA GLY A 87 11.496 -11.386 1.385 1.00 0.00 C ATOM 1245 C GLY A 87 10.089 -11.291 1.941 1.00 0.00 C ATOM 1246 O GLY A 87 9.126 -11.053 1.213 1.00 0.00 O ATOM 0 H GLY A 87 11.878 -10.145 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.884 -12.390 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.145 -10.697 1.926 1.00 0.00 H new ATOM 1250 N PRO A 88 9.957 -11.483 3.262 1.00 0.00 N ATOM 1251 CA PRO A 88 8.661 -11.424 3.945 1.00 0.00 C ATOM 1252 C PRO A 88 8.095 -10.009 3.994 1.00 0.00 C ATOM 1253 O PRO A 88 8.830 -9.021 3.994 1.00 0.00 O ATOM 1254 CB PRO A 88 8.980 -11.922 5.357 1.00 0.00 C ATOM 1255 CG PRO A 88 10.427 -11.620 5.546 1.00 0.00 C ATOM 1256 CD PRO A 88 11.062 -11.771 4.191 1.00 0.00 C ATOM 0 HA PRO A 88 7.903 -12.015 3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.369 -11.415 6.103 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.782 -12.989 5.455 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.568 -10.611 5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.877 -12.303 6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.891 -11.077 4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.460 -12.775 4.043 1.00 0.00 H new ATOM 1264 N PRO A 89 6.759 -9.906 4.038 1.00 0.00 N ATOM 1265 CA PRO A 89 6.065 -8.615 4.090 1.00 0.00 C ATOM 1266 C PRO A 89 6.262 -7.905 5.424 1.00 0.00 C ATOM 1267 O PRO A 89 5.981 -8.465 6.484 1.00 0.00 O ATOM 1268 CB PRO A 89 4.595 -8.994 3.897 1.00 0.00 C ATOM 1269 CG PRO A 89 4.501 -10.403 4.374 1.00 0.00 C ATOM 1270 CD PRO A 89 5.821 -11.041 4.041 1.00 0.00 C ATOM 0 HA PRO A 89 6.441 -7.919 3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.939 -8.338 4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.298 -8.909 2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.309 -10.440 5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.680 -10.927 3.885 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.102 -11.792 4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.793 -11.541 3.073 1.00 0.00 H new ATOM 1278 N SER A 90 6.745 -6.668 5.366 1.00 0.00 N ATOM 1279 CA SER A 90 6.981 -5.882 6.571 1.00 0.00 C ATOM 1280 C SER A 90 5.694 -5.714 7.372 1.00 0.00 C ATOM 1281 O SER A 90 4.613 -6.081 6.912 1.00 0.00 O ATOM 1282 CB SER A 90 7.551 -4.509 6.207 1.00 0.00 C ATOM 1283 OG SER A 90 7.319 -3.570 7.242 1.00 0.00 O ATOM 0 H SER A 90 6.981 -6.189 4.497 1.00 0.00 H new ATOM 0 HA SER A 90 7.704 -6.417 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.622 -4.594 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.095 -4.156 5.282 1.00 0.00 H new ATOM 0 HG SER A 90 8.175 -3.210 7.555 1.00 0.00 H new ATOM 1289 N GLU A 91 5.819 -5.158 8.573 1.00 0.00 N ATOM 1290 CA GLU A 91 4.666 -4.943 9.439 1.00 0.00 C ATOM 1291 C GLU A 91 3.517 -4.303 8.665 1.00 0.00 C ATOM 1292 O GLU A 91 3.438 -3.081 8.548 1.00 0.00 O ATOM 1293 CB GLU A 91 5.050 -4.058 10.627 1.00 0.00 C ATOM 1294 CG GLU A 91 5.762 -2.777 10.227 1.00 0.00 C ATOM 1295 CD GLU A 91 6.455 -2.105 11.396 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.788 -1.330 12.114 1.00 0.00 O ATOM 1297 OE2 GLU A 91 7.662 -2.353 11.594 1.00 0.00 O ATOM 0 H GLU A 91 6.707 -4.848 8.968 1.00 0.00 H new ATOM 0 HA GLU A 91 4.336 -5.913 9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.149 -3.804 11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.693 -4.626 11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.497 -3.001 9.454 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.041 -2.086 9.791 1.00 0.00 H new ATOM 1304 N ALA A 92 2.628 -5.140 8.138 1.00 0.00 N ATOM 1305 CA ALA A 92 1.483 -4.657 7.377 1.00 0.00 C ATOM 1306 C ALA A 92 0.802 -3.492 8.088 1.00 0.00 C ATOM 1307 O ALA A 92 0.572 -3.539 9.297 1.00 0.00 O ATOM 1308 CB ALA A 92 0.491 -5.787 7.143 1.00 0.00 C ATOM 0 H ALA A 92 2.679 -6.155 8.225 1.00 0.00 H new ATOM 0 HA ALA A 92 1.844 -4.299 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.359 -5.412 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.977 -6.588 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.144 -6.171 8.102 1.00 0.00 H new ATOM 1314 N VAL A 93 0.482 -2.448 7.331 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.173 -1.271 7.889 1.00 0.00 C ATOM 1316 C VAL A 93 -1.539 -1.048 7.251 1.00 0.00 C ATOM 1317 O VAL A 93 -1.718 -1.261 6.051 1.00 0.00 O ATOM 1318 CB VAL A 93 0.685 -0.006 7.695 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.998 -0.130 8.454 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.936 0.245 6.216 1.00 0.00 C ATOM 0 H VAL A 93 0.666 -2.393 6.329 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.299 -1.455 8.956 1.00 0.00 H new ATOM 0 HB VAL A 93 0.140 0.848 8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.591 0.773 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.793 -0.259 9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.552 -0.993 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.543 1.142 6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.461 -0.608 5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.016 0.381 5.703 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.501 -0.616 8.060 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.852 -0.365 7.575 1.00 0.00 C ATOM 1332 C ARG A 94 -4.126 1.134 7.482 1.00 0.00 C ATOM 1333 O ARG A 94 -3.999 1.860 8.467 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.879 -1.026 8.496 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.015 -2.524 8.280 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.323 -3.052 8.848 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.682 -4.349 8.282 1.00 0.00 N ATOM 1338 CZ ARG A 94 -7.684 -5.097 8.732 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -8.422 -4.677 9.750 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -7.948 -6.266 8.164 1.00 0.00 N ATOM 0 H ARG A 94 -2.369 -0.433 9.055 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.939 -0.796 6.578 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.597 -0.841 9.533 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.850 -0.555 8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.964 -2.745 7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.178 -3.038 8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.238 -3.140 9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.120 -2.336 8.648 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.133 -4.701 7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.221 -3.779 10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.191 -5.252 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.382 -6.592 7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.717 -6.839 8.510 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.502 1.589 6.291 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.795 2.999 6.070 1.00 0.00 C ATOM 1356 C ALA A 95 -6.074 3.173 5.258 1.00 0.00 C ATOM 1357 O ALA A 95 -6.231 2.575 4.193 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.627 3.678 5.370 1.00 0.00 C ATOM 0 H ALA A 95 -4.611 1.001 5.465 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.945 3.470 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.860 4.731 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.733 3.593 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.450 3.197 4.408 1.00 0.00 H new ATOM 1364 N ARG A 96 -6.986 3.995 5.768 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.252 4.246 5.090 1.00 0.00 C ATOM 1366 C ARG A 96 -8.138 5.443 4.150 1.00 0.00 C ATOM 1367 O ARG A 96 -7.743 6.534 4.562 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.363 4.491 6.113 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.741 4.073 5.628 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.831 4.530 6.585 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.919 3.673 7.764 1.00 0.00 N ATOM 1372 CZ ARG A 96 -12.459 4.060 8.915 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -12.957 5.282 9.040 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -12.502 3.222 9.943 1.00 0.00 N ATOM 0 H ARG A 96 -6.872 4.498 6.648 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.500 3.364 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.129 3.947 7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.383 5.551 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.923 4.494 4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.778 2.989 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.633 5.556 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.790 4.533 6.067 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.546 2.726 7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.926 5.928 8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.371 5.576 9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.121 2.281 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.916 3.519 10.826 1.00 0.00 H new ATOM 1388 N THR A 97 -8.487 5.230 2.885 1.00 0.00 N ATOM 1389 CA THR A 97 -8.422 6.290 1.886 1.00 0.00 C ATOM 1390 C THR A 97 -9.557 7.290 2.072 1.00 0.00 C ATOM 1391 O THR A 97 -10.625 6.946 2.577 1.00 0.00 O ATOM 1392 CB THR A 97 -8.484 5.719 0.457 1.00 0.00 C ATOM 1393 OG1 THR A 97 -9.840 5.416 0.109 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.632 4.465 0.337 1.00 0.00 C ATOM 0 H THR A 97 -8.817 4.333 2.528 1.00 0.00 H new ATOM 0 HA THR A 97 -7.468 6.798 2.025 1.00 0.00 H new ATOM 0 HB THR A 97 -8.093 6.471 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.857 4.652 -0.505 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.692 4.080 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.595 4.705 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.997 3.709 1.032 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.320 8.532 1.659 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.332 9.563 1.788 1.00 0.00 C ATOM 1404 C GLY A 98 -11.597 9.233 1.020 1.00 0.00 C ATOM 1405 O GLY A 98 -11.614 8.307 0.210 1.00 0.00 O ATOM 0 H GLY A 98 -8.444 8.842 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.575 9.699 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.929 10.510 1.429 1.00 0.00 H new