USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 61 SER OG : rot 112:sc= 2.19 USER MOD Set 1.2: A 82 TYR OH : rot 25:sc= 1.23 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0109 F(o=-0.83,f=-0.011) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00731 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc=-0.00751 (180deg=-0.148) USER MOD Single : A 39 MET CE :methyl -160:sc= -0.0529 (180deg=-1.03) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0243 (180deg=-0.261) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0419 USER MOD Single : A 54 ASN : amide:sc= -0.0588 K(o=-0.059,f=-4.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -113:sc= -1.34 (180deg=-3.97!) USER MOD Single : A 69 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.38) USER MOD Single : A 71 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.032) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 79 THR OG1 : rot 37:sc= 0.314 USER MOD Single : A 81 SER OG : rot 13:sc= 0.507 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.765 8.394 1.347 1.00 0.00 N ATOM 60 CA GLY A 7 -0.904 7.272 1.673 1.00 0.00 C ATOM 61 C GLY A 7 -1.398 6.492 2.875 1.00 0.00 C ATOM 62 O GLY A 7 -2.229 6.981 3.641 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.840 6.606 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.104 7.637 1.870 1.00 0.00 H new ATOM 66 N ILE A 8 -0.888 5.276 3.040 1.00 0.00 N ATOM 67 CA ILE A 8 -1.284 4.428 4.157 1.00 0.00 C ATOM 68 C ILE A 8 -0.064 3.871 4.883 1.00 0.00 C ATOM 69 O ILE A 8 0.952 3.556 4.263 1.00 0.00 O ATOM 70 CB ILE A 8 -2.167 3.256 3.689 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.406 2.383 2.689 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.456 3.778 3.072 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.011 1.009 2.503 1.00 0.00 C ATOM 0 H ILE A 8 -0.200 4.856 2.415 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.857 5.054 4.841 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.423 2.645 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.375 2.891 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.375 2.275 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.070 2.938 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.003 4.362 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.220 4.409 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.420 0.446 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.017 0.482 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.033 1.108 2.137 1.00 0.00 H new ATOM 85 N PHE A 9 -0.171 3.751 6.203 1.00 0.00 N ATOM 86 CA PHE A 9 0.923 3.231 7.015 1.00 0.00 C ATOM 87 C PHE A 9 0.647 1.793 7.442 1.00 0.00 C ATOM 88 O PHE A 9 -0.432 1.480 7.945 1.00 0.00 O ATOM 89 CB PHE A 9 1.132 4.111 8.249 1.00 0.00 C ATOM 90 CG PHE A 9 1.898 3.430 9.347 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.281 3.357 9.303 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.235 2.863 10.424 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.989 2.731 10.312 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.938 2.237 11.436 1.00 0.00 C ATOM 95 CZ PHE A 9 3.316 2.170 11.379 1.00 0.00 C ATOM 0 H PHE A 9 -1.004 4.007 6.733 1.00 0.00 H new ATOM 0 HA PHE A 9 1.830 3.244 6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.662 5.017 7.954 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.160 4.421 8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.812 3.794 8.471 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.157 2.911 10.473 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.067 2.681 10.266 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.410 1.801 12.271 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.867 1.679 12.168 1.00 0.00 H new ATOM 105 N ILE A 10 1.630 0.923 7.238 1.00 0.00 N ATOM 106 CA ILE A 10 1.495 -0.482 7.602 1.00 0.00 C ATOM 107 C ILE A 10 2.546 -0.888 8.630 1.00 0.00 C ATOM 108 O ILE A 10 3.706 -0.490 8.537 1.00 0.00 O ATOM 109 CB ILE A 10 1.617 -1.398 6.370 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.642 -0.954 5.278 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.362 -2.846 6.759 1.00 0.00 C ATOM 112 CD1 ILE A 10 1.128 -1.249 3.877 1.00 0.00 C ATOM 0 H ILE A 10 2.529 1.166 6.822 1.00 0.00 H new ATOM 0 HA ILE A 10 0.502 -0.601 8.035 1.00 0.00 H new ATOM 0 HB ILE A 10 2.631 -1.321 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.316 -1.451 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.465 0.117 5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.452 -3.481 5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.093 -3.156 7.506 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.358 -2.940 7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.386 -0.907 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.071 -0.730 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.278 -2.323 3.762 1.00 0.00 H new ATOM 124 N GLY A 11 2.131 -1.684 9.610 1.00 0.00 N ATOM 125 CA GLY A 11 3.049 -2.133 10.641 1.00 0.00 C ATOM 126 C GLY A 11 2.936 -3.620 10.911 1.00 0.00 C ATOM 127 O GLY A 11 1.966 -4.259 10.507 1.00 0.00 O ATOM 0 H GLY A 11 1.175 -2.026 9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.070 -1.898 10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.853 -1.584 11.562 1.00 0.00 H new ATOM 131 N ASN A 12 3.931 -4.172 11.597 1.00 0.00 N ATOM 132 CA ASN A 12 3.941 -5.595 11.919 1.00 0.00 C ATOM 133 C ASN A 12 4.031 -6.439 10.652 1.00 0.00 C ATOM 134 O ASN A 12 3.195 -7.311 10.412 1.00 0.00 O ATOM 135 CB ASN A 12 2.682 -5.969 12.705 1.00 0.00 C ATOM 136 CG ASN A 12 2.921 -7.118 13.665 1.00 0.00 C ATOM 137 OD1 ASN A 12 3.272 -8.279 13.123 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 2.792 -6.964 14.880 1.00 0.00 N flip ATOM 0 H ASN A 12 4.741 -3.656 11.941 1.00 0.00 H new ATOM 0 HA ASN A 12 4.819 -5.797 12.532 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.333 -5.100 13.262 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.889 -6.240 12.008 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.521 -6.054 15.253 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.956 -7.746 15.514 1.00 0.00 H new ATOM 145 N LEU A 13 5.052 -6.175 9.843 1.00 0.00 N ATOM 146 CA LEU A 13 5.254 -6.910 8.600 1.00 0.00 C ATOM 147 C LEU A 13 6.337 -7.971 8.764 1.00 0.00 C ATOM 148 O LEU A 13 7.413 -7.696 9.296 1.00 0.00 O ATOM 149 CB LEU A 13 5.631 -5.949 7.471 1.00 0.00 C ATOM 150 CG LEU A 13 4.477 -5.173 6.837 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.998 -3.942 6.110 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.694 -6.065 5.885 1.00 0.00 C ATOM 0 H LEU A 13 5.753 -5.457 10.026 1.00 0.00 H new ATOM 0 HA LEU A 13 4.319 -7.409 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.355 -5.232 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.133 -6.518 6.689 1.00 0.00 H new ATOM 0 HG LEU A 13 3.806 -4.845 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.163 -3.402 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.514 -3.293 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.691 -4.248 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.876 -5.496 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.355 -6.424 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.289 -6.916 6.433 1.00 0.00 H new ATOM 164 N ASP A 14 6.047 -9.182 8.302 1.00 0.00 N ATOM 165 CA ASP A 14 6.998 -10.284 8.395 1.00 0.00 C ATOM 166 C ASP A 14 8.290 -9.950 7.655 1.00 0.00 C ATOM 167 O ASP A 14 8.280 -9.374 6.567 1.00 0.00 O ATOM 168 CB ASP A 14 6.385 -11.564 7.825 1.00 0.00 C ATOM 169 CG ASP A 14 6.979 -12.815 8.442 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.952 -12.934 9.685 1.00 0.00 O ATOM 171 OD2 ASP A 14 7.470 -13.676 7.683 1.00 0.00 O ATOM 0 H ASP A 14 5.161 -9.426 7.859 1.00 0.00 H new ATOM 0 HA ASP A 14 7.233 -10.441 9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.308 -11.555 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.537 -11.587 6.746 1.00 0.00 H new ATOM 176 N PRO A 15 9.430 -10.319 8.258 1.00 0.00 N ATOM 177 CA PRO A 15 10.751 -10.069 7.674 1.00 0.00 C ATOM 178 C PRO A 15 11.011 -10.926 6.440 1.00 0.00 C ATOM 179 O PRO A 15 12.060 -10.813 5.806 1.00 0.00 O ATOM 180 CB PRO A 15 11.714 -10.448 8.802 1.00 0.00 C ATOM 181 CG PRO A 15 10.959 -11.428 9.632 1.00 0.00 C ATOM 182 CD PRO A 15 9.517 -11.010 9.556 1.00 0.00 C ATOM 0 HA PRO A 15 10.858 -9.040 7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.631 -10.886 8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.003 -9.574 9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.092 -12.442 9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.313 -11.422 10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.847 -11.869 9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.246 -10.351 10.381 1.00 0.00 H new ATOM 190 N GLU A 16 10.050 -11.782 6.106 1.00 0.00 N ATOM 191 CA GLU A 16 10.178 -12.658 4.947 1.00 0.00 C ATOM 192 C GLU A 16 9.489 -12.052 3.728 1.00 0.00 C ATOM 193 O GLU A 16 9.587 -12.579 2.620 1.00 0.00 O ATOM 194 CB GLU A 16 9.582 -14.034 5.252 1.00 0.00 C ATOM 195 CG GLU A 16 8.105 -14.146 4.911 1.00 0.00 C ATOM 196 CD GLU A 16 7.527 -15.503 5.263 1.00 0.00 C ATOM 197 OE1 GLU A 16 7.907 -16.498 4.610 1.00 0.00 O ATOM 198 OE2 GLU A 16 6.695 -15.571 6.192 1.00 0.00 O ATOM 0 H GLU A 16 9.176 -11.887 6.621 1.00 0.00 H new ATOM 0 HA GLU A 16 11.239 -12.771 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.133 -14.791 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.720 -14.254 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.553 -13.371 5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.967 -13.961 3.846 1.00 0.00 H new ATOM 205 N ILE A 17 8.791 -10.941 3.942 1.00 0.00 N ATOM 206 CA ILE A 17 8.085 -10.263 2.862 1.00 0.00 C ATOM 207 C ILE A 17 8.999 -9.277 2.143 1.00 0.00 C ATOM 208 O ILE A 17 9.895 -8.689 2.750 1.00 0.00 O ATOM 209 CB ILE A 17 6.846 -9.511 3.383 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.929 -10.466 4.150 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.097 -8.861 2.230 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.947 -9.760 5.060 1.00 0.00 C ATOM 0 H ILE A 17 8.700 -10.492 4.853 1.00 0.00 H new ATOM 0 HA ILE A 17 7.763 -11.034 2.162 1.00 0.00 H new ATOM 0 HB ILE A 17 7.175 -8.727 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.376 -11.077 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.540 -11.145 4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.224 -8.334 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.753 -8.154 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.776 -9.629 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.329 -10.498 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.493 -9.170 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.311 -9.102 4.468 1.00 0.00 H new ATOM 224 N ASP A 18 8.766 -9.099 0.847 1.00 0.00 N ATOM 225 CA ASP A 18 9.566 -8.181 0.045 1.00 0.00 C ATOM 226 C ASP A 18 8.679 -7.159 -0.658 1.00 0.00 C ATOM 227 O ASP A 18 7.475 -7.365 -0.805 1.00 0.00 O ATOM 228 CB ASP A 18 10.389 -8.955 -0.985 1.00 0.00 C ATOM 229 CG ASP A 18 11.673 -8.239 -1.357 1.00 0.00 C ATOM 230 OD1 ASP A 18 11.590 -7.127 -1.921 1.00 0.00 O ATOM 231 OD2 ASP A 18 12.760 -8.789 -1.084 1.00 0.00 O ATOM 0 H ASP A 18 8.029 -9.579 0.330 1.00 0.00 H new ATOM 0 HA ASP A 18 10.243 -7.649 0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.629 -9.941 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.790 -9.110 -1.882 1.00 0.00 H new ATOM 236 N GLU A 19 9.282 -6.056 -1.090 1.00 0.00 N ATOM 237 CA GLU A 19 8.545 -5.001 -1.777 1.00 0.00 C ATOM 238 C GLU A 19 7.686 -5.579 -2.898 1.00 0.00 C ATOM 239 O GLU A 19 6.561 -5.134 -3.126 1.00 0.00 O ATOM 240 CB GLU A 19 9.512 -3.960 -2.345 1.00 0.00 C ATOM 241 CG GLU A 19 10.141 -3.071 -1.285 1.00 0.00 C ATOM 242 CD GLU A 19 11.470 -2.489 -1.726 1.00 0.00 C ATOM 243 OE1 GLU A 19 12.311 -3.255 -2.242 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.669 -1.268 -1.555 1.00 0.00 O ATOM 0 H GLU A 19 10.278 -5.869 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 19 7.889 -4.519 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.303 -4.472 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.980 -3.335 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.455 -2.259 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.286 -3.648 -0.372 1.00 0.00 H new ATOM 251 N LYS A 20 8.225 -6.573 -3.595 1.00 0.00 N ATOM 252 CA LYS A 20 7.510 -7.214 -4.693 1.00 0.00 C ATOM 253 C LYS A 20 6.193 -7.811 -4.208 1.00 0.00 C ATOM 254 O LYS A 20 5.131 -7.541 -4.772 1.00 0.00 O ATOM 255 CB LYS A 20 8.376 -8.306 -5.324 1.00 0.00 C ATOM 256 CG LYS A 20 7.659 -9.105 -6.398 1.00 0.00 C ATOM 257 CD LYS A 20 7.278 -8.233 -7.582 1.00 0.00 C ATOM 258 CE LYS A 20 8.474 -7.959 -8.481 1.00 0.00 C ATOM 259 NZ LYS A 20 8.058 -7.473 -9.826 1.00 0.00 N ATOM 0 H LYS A 20 9.155 -6.953 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 20 7.290 -6.455 -5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.266 -7.848 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.715 -8.986 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.300 -9.919 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.762 -9.560 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.493 -8.723 -8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.868 -7.289 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.119 -7.217 -8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.062 -8.870 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.902 -7.298 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.463 -8.191 -10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.518 -6.590 -9.724 1.00 0.00 H new ATOM 273 N LEU A 21 6.267 -8.623 -3.159 1.00 0.00 N ATOM 274 CA LEU A 21 5.080 -9.258 -2.598 1.00 0.00 C ATOM 275 C LEU A 21 4.037 -8.215 -2.209 1.00 0.00 C ATOM 276 O LEU A 21 2.963 -8.143 -2.806 1.00 0.00 O ATOM 277 CB LEU A 21 5.457 -10.099 -1.377 1.00 0.00 C ATOM 278 CG LEU A 21 4.442 -11.164 -0.956 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.341 -12.252 -2.014 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.823 -11.760 0.391 1.00 0.00 C ATOM 0 H LEU A 21 7.137 -8.857 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 21 4.650 -9.908 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.408 -10.592 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.620 -9.427 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 21 3.465 -10.690 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.615 -13.001 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.021 -11.812 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.315 -12.724 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.090 -12.515 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.809 -12.219 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.843 -10.973 1.145 1.00 0.00 H new ATOM 292 N LEU A 22 4.362 -7.407 -1.205 1.00 0.00 N ATOM 293 CA LEU A 22 3.454 -6.366 -0.737 1.00 0.00 C ATOM 294 C LEU A 22 2.714 -5.723 -1.906 1.00 0.00 C ATOM 295 O LEU A 22 1.484 -5.715 -1.946 1.00 0.00 O ATOM 296 CB LEU A 22 4.228 -5.299 0.041 1.00 0.00 C ATOM 297 CG LEU A 22 4.489 -5.602 1.516 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.508 -4.629 2.089 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.192 -5.547 2.310 1.00 0.00 C ATOM 0 H LEU A 22 5.247 -7.453 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 22 2.720 -6.828 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.187 -5.142 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.679 -4.360 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 22 4.896 -6.610 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.681 -4.860 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.445 -4.718 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.129 -3.611 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.397 -5.765 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.756 -4.552 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.493 -6.284 1.916 1.00 0.00 H new ATOM 311 N TYR A 23 3.472 -5.186 -2.855 1.00 0.00 N ATOM 312 CA TYR A 23 2.889 -4.541 -4.025 1.00 0.00 C ATOM 313 C TYR A 23 1.658 -5.301 -4.510 1.00 0.00 C ATOM 314 O TYR A 23 0.581 -4.726 -4.669 1.00 0.00 O ATOM 315 CB TYR A 23 3.921 -4.448 -5.150 1.00 0.00 C ATOM 316 CG TYR A 23 3.362 -3.888 -6.439 1.00 0.00 C ATOM 317 CD1 TYR A 23 3.339 -2.519 -6.673 1.00 0.00 C ATOM 318 CD2 TYR A 23 2.860 -4.730 -7.424 1.00 0.00 C ATOM 319 CE1 TYR A 23 2.829 -2.004 -7.849 1.00 0.00 C ATOM 320 CE2 TYR A 23 2.349 -4.223 -8.604 1.00 0.00 C ATOM 321 CZ TYR A 23 2.335 -2.860 -8.811 1.00 0.00 C ATOM 322 OH TYR A 23 1.828 -2.351 -9.985 1.00 0.00 O ATOM 0 H TYR A 23 4.492 -5.185 -2.837 1.00 0.00 H new ATOM 0 HA TYR A 23 2.583 -3.535 -3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.750 -3.821 -4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.328 -5.441 -5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.726 -1.846 -5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.869 -5.798 -7.265 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.817 -0.937 -8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.963 -4.891 -9.360 1.00 0.00 H new ATOM 0 HH TYR A 23 1.522 -3.087 -10.556 1.00 0.00 H new ATOM 332 N ASP A 24 1.826 -6.598 -4.743 1.00 0.00 N ATOM 333 CA ASP A 24 0.730 -7.440 -5.208 1.00 0.00 C ATOM 334 C ASP A 24 -0.280 -7.684 -4.091 1.00 0.00 C ATOM 335 O ASP A 24 -1.470 -7.409 -4.244 1.00 0.00 O ATOM 336 CB ASP A 24 1.268 -8.774 -5.727 1.00 0.00 C ATOM 337 CG ASP A 24 0.161 -9.720 -6.149 1.00 0.00 C ATOM 338 OD1 ASP A 24 -0.301 -9.614 -7.305 1.00 0.00 O ATOM 339 OD2 ASP A 24 -0.243 -10.566 -5.325 1.00 0.00 O ATOM 0 H ASP A 24 2.711 -7.089 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 24 0.225 -6.920 -6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.928 -8.591 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.870 -9.247 -4.951 1.00 0.00 H new ATOM 344 N THR A 25 0.204 -8.202 -2.966 1.00 0.00 N ATOM 345 CA THR A 25 -0.656 -8.486 -1.824 1.00 0.00 C ATOM 346 C THR A 25 -1.691 -7.384 -1.628 1.00 0.00 C ATOM 347 O THR A 25 -2.834 -7.651 -1.258 1.00 0.00 O ATOM 348 CB THR A 25 0.164 -8.641 -0.529 1.00 0.00 C ATOM 349 OG1 THR A 25 1.145 -9.670 -0.691 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.741 -8.976 0.647 1.00 0.00 C ATOM 0 H THR A 25 1.187 -8.433 -2.822 1.00 0.00 H new ATOM 0 HA THR A 25 -1.166 -9.425 -2.037 1.00 0.00 H new ATOM 0 HB THR A 25 0.663 -7.694 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.663 -9.761 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.140 -9.081 1.550 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.468 -8.176 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.264 -9.912 0.449 1.00 0.00 H new ATOM 358 N PHE A 26 -1.283 -6.144 -1.879 1.00 0.00 N ATOM 359 CA PHE A 26 -2.176 -5.001 -1.730 1.00 0.00 C ATOM 360 C PHE A 26 -2.851 -4.661 -3.055 1.00 0.00 C ATOM 361 O PHE A 26 -4.027 -4.297 -3.090 1.00 0.00 O ATOM 362 CB PHE A 26 -1.402 -3.786 -1.213 1.00 0.00 C ATOM 363 CG PHE A 26 -1.146 -3.824 0.267 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.291 -4.768 0.812 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.761 -2.915 1.113 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.053 -4.805 2.173 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.527 -2.947 2.474 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.673 -3.894 3.005 1.00 0.00 C ATOM 0 H PHE A 26 -0.340 -5.905 -2.186 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.947 -5.267 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.448 -3.723 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.959 -2.881 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.195 -5.484 0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.431 -2.173 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.617 -5.545 2.585 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.011 -2.232 3.123 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.491 -3.922 4.069 1.00 0.00 H new ATOM 378 N SER A 27 -2.098 -4.783 -4.144 1.00 0.00 N ATOM 379 CA SER A 27 -2.622 -4.485 -5.472 1.00 0.00 C ATOM 380 C SER A 27 -4.032 -5.041 -5.638 1.00 0.00 C ATOM 381 O SER A 27 -4.886 -4.420 -6.270 1.00 0.00 O ATOM 382 CB SER A 27 -1.702 -5.066 -6.548 1.00 0.00 C ATOM 383 OG SER A 27 -2.258 -4.895 -7.840 1.00 0.00 O ATOM 0 H SER A 27 -1.124 -5.086 -4.133 1.00 0.00 H new ATOM 0 HA SER A 27 -2.663 -3.402 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.728 -4.579 -6.500 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.538 -6.126 -6.357 1.00 0.00 H new ATOM 0 HG SER A 27 -1.651 -5.273 -8.510 1.00 0.00 H new ATOM 389 N ALA A 28 -4.269 -6.217 -5.064 1.00 0.00 N ATOM 390 CA ALA A 28 -5.576 -6.857 -5.146 1.00 0.00 C ATOM 391 C ALA A 28 -6.695 -5.857 -4.876 1.00 0.00 C ATOM 392 O ALA A 28 -7.585 -5.667 -5.705 1.00 0.00 O ATOM 393 CB ALA A 28 -5.656 -8.019 -4.167 1.00 0.00 C ATOM 0 H ALA A 28 -3.573 -6.745 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.703 -7.240 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.637 -8.488 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.885 -8.751 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.503 -7.651 -3.152 1.00 0.00 H new ATOM 399 N PHE A 29 -6.645 -5.221 -3.710 1.00 0.00 N ATOM 400 CA PHE A 29 -7.656 -4.242 -3.330 1.00 0.00 C ATOM 401 C PHE A 29 -7.727 -3.109 -4.350 1.00 0.00 C ATOM 402 O PHE A 29 -8.721 -2.960 -5.059 1.00 0.00 O ATOM 403 CB PHE A 29 -7.351 -3.675 -1.942 1.00 0.00 C ATOM 404 CG PHE A 29 -7.240 -4.726 -0.875 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.376 -5.252 -0.281 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.999 -5.191 -0.468 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.276 -6.219 0.701 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.893 -6.158 0.513 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.034 -6.674 1.098 1.00 0.00 C ATOM 0 H PHE A 29 -5.915 -5.366 -3.012 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.622 -4.746 -3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.418 -3.113 -1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.135 -2.970 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.350 -4.902 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.104 -4.793 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.169 -6.619 1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.920 -6.510 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.954 -7.431 1.864 1.00 0.00 H new ATOM 419 N GLY A 30 -6.665 -2.313 -4.417 1.00 0.00 N ATOM 420 CA GLY A 30 -6.626 -1.204 -5.352 1.00 0.00 C ATOM 421 C GLY A 30 -5.319 -1.136 -6.117 1.00 0.00 C ATOM 422 O GLY A 30 -4.472 -2.020 -5.993 1.00 0.00 O ATOM 0 H GLY A 30 -5.830 -2.416 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.452 -1.298 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.775 -0.270 -4.810 1.00 0.00 H new ATOM 426 N VAL A 31 -5.155 -0.083 -6.912 1.00 0.00 N ATOM 427 CA VAL A 31 -3.942 0.097 -7.701 1.00 0.00 C ATOM 428 C VAL A 31 -2.925 0.955 -6.956 1.00 0.00 C ATOM 429 O VAL A 31 -3.272 1.985 -6.378 1.00 0.00 O ATOM 430 CB VAL A 31 -4.250 0.750 -9.062 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.967 0.984 -9.844 1.00 0.00 C ATOM 432 CG2 VAL A 31 -5.220 -0.110 -9.857 1.00 0.00 C ATOM 0 H VAL A 31 -5.847 0.658 -7.027 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.523 -0.895 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.720 1.717 -8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.204 1.446 -10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.310 1.643 -9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.466 0.031 -10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.427 0.366 -10.816 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.780 -1.093 -10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.150 -0.221 -9.299 1.00 0.00 H new ATOM 442 N ILE A 32 -1.669 0.524 -6.976 1.00 0.00 N ATOM 443 CA ILE A 32 -0.600 1.253 -6.304 1.00 0.00 C ATOM 444 C ILE A 32 -0.007 2.322 -7.216 1.00 0.00 C ATOM 445 O ILE A 32 0.173 2.102 -8.414 1.00 0.00 O ATOM 446 CB ILE A 32 0.524 0.307 -5.842 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.061 -0.522 -4.643 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.774 1.101 -5.494 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.942 -1.718 -4.359 1.00 0.00 C ATOM 0 H ILE A 32 -1.366 -0.327 -7.450 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.044 1.729 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 32 0.766 -0.374 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.033 0.116 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.958 -0.866 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.560 0.419 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.112 1.651 -6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.548 1.802 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.554 -2.259 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.951 -2.377 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.957 -1.381 -4.149 1.00 0.00 H new ATOM 461 N LEU A 33 0.296 3.481 -6.641 1.00 0.00 N ATOM 462 CA LEU A 33 0.872 4.585 -7.401 1.00 0.00 C ATOM 463 C LEU A 33 2.279 4.242 -7.878 1.00 0.00 C ATOM 464 O LEU A 33 2.610 4.428 -9.049 1.00 0.00 O ATOM 465 CB LEU A 33 0.906 5.854 -6.548 1.00 0.00 C ATOM 466 CG LEU A 33 -0.413 6.619 -6.430 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.231 7.871 -5.586 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.946 6.978 -7.810 1.00 0.00 C ATOM 0 H LEU A 33 0.152 3.680 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 33 0.244 4.758 -8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.238 5.585 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.657 6.526 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.141 5.975 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.180 8.402 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.105 7.591 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.512 8.518 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.885 7.522 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.220 7.603 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.116 6.066 -8.383 1.00 0.00 H new ATOM 480 N GLN A 34 3.103 3.738 -6.964 1.00 0.00 N ATOM 481 CA GLN A 34 4.474 3.368 -7.293 1.00 0.00 C ATOM 482 C GLN A 34 5.010 2.335 -6.308 1.00 0.00 C ATOM 483 O GLN A 34 4.457 2.149 -5.224 1.00 0.00 O ATOM 484 CB GLN A 34 5.373 4.605 -7.292 1.00 0.00 C ATOM 485 CG GLN A 34 5.319 5.396 -5.995 1.00 0.00 C ATOM 486 CD GLN A 34 6.258 6.586 -5.997 1.00 0.00 C ATOM 487 OE1 GLN A 34 7.116 6.713 -6.871 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.102 7.466 -5.015 1.00 0.00 N ATOM 0 H GLN A 34 2.845 3.577 -5.991 1.00 0.00 H new ATOM 0 HA GLN A 34 4.475 2.928 -8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.402 4.296 -7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.082 5.256 -8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.299 5.743 -5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.573 4.739 -5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.378 7.322 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.706 8.286 -4.964 1.00 0.00 H new ATOM 497 N THR A 35 6.092 1.663 -6.692 1.00 0.00 N ATOM 498 CA THR A 35 6.702 0.648 -5.843 1.00 0.00 C ATOM 499 C THR A 35 6.669 1.064 -4.377 1.00 0.00 C ATOM 500 O THR A 35 7.022 2.187 -4.017 1.00 0.00 O ATOM 501 CB THR A 35 8.161 0.375 -6.255 1.00 0.00 C ATOM 502 OG1 THR A 35 8.194 -0.455 -7.421 1.00 0.00 O ATOM 503 CG2 THR A 35 8.924 -0.300 -5.125 1.00 0.00 C ATOM 0 H THR A 35 6.563 1.804 -7.586 1.00 0.00 H new ATOM 0 HA THR A 35 6.119 -0.264 -5.972 1.00 0.00 H new ATOM 0 HB THR A 35 8.638 1.330 -6.476 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.125 -0.622 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.952 -0.483 -5.438 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.922 0.347 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.446 -1.248 -4.878 1.00 0.00 H new ATOM 511 N PRO A 36 6.236 0.138 -3.508 1.00 0.00 N ATOM 512 CA PRO A 36 6.147 0.386 -2.066 1.00 0.00 C ATOM 513 C PRO A 36 7.520 0.499 -1.412 1.00 0.00 C ATOM 514 O PRO A 36 8.539 0.171 -2.022 1.00 0.00 O ATOM 515 CB PRO A 36 5.404 -0.844 -1.540 1.00 0.00 C ATOM 516 CG PRO A 36 5.688 -1.914 -2.536 1.00 0.00 C ATOM 517 CD PRO A 36 5.799 -1.222 -3.867 1.00 0.00 C ATOM 0 HA PRO A 36 5.648 1.329 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.756 -1.124 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.334 -0.654 -1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.611 -2.440 -2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.891 -2.658 -2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.519 -1.717 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.846 -1.212 -4.395 1.00 0.00 H new ATOM 525 N LYS A 37 7.542 0.963 -0.168 1.00 0.00 N ATOM 526 CA LYS A 37 8.789 1.118 0.571 1.00 0.00 C ATOM 527 C LYS A 37 8.670 0.525 1.971 1.00 0.00 C ATOM 528 O LYS A 37 7.649 0.690 2.640 1.00 0.00 O ATOM 529 CB LYS A 37 9.172 2.597 0.663 1.00 0.00 C ATOM 530 CG LYS A 37 10.669 2.833 0.762 1.00 0.00 C ATOM 531 CD LYS A 37 11.351 2.666 -0.586 1.00 0.00 C ATOM 532 CE LYS A 37 11.150 3.889 -1.467 1.00 0.00 C ATOM 533 NZ LYS A 37 11.945 5.054 -0.989 1.00 0.00 N ATOM 0 H LYS A 37 6.708 1.239 0.351 1.00 0.00 H new ATOM 0 HA LYS A 37 9.569 0.580 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.788 3.118 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.685 3.036 1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.855 3.837 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.102 2.135 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.417 2.495 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.954 1.784 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.436 3.650 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.093 4.154 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.973 5.783 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.504 5.447 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.914 4.746 -0.770 1.00 0.00 H new ATOM 547 N ILE A 38 9.719 -0.163 2.409 1.00 0.00 N ATOM 548 CA ILE A 38 9.731 -0.778 3.731 1.00 0.00 C ATOM 549 C ILE A 38 10.827 -0.178 4.605 1.00 0.00 C ATOM 550 O ILE A 38 11.983 -0.088 4.195 1.00 0.00 O ATOM 551 CB ILE A 38 9.938 -2.301 3.641 1.00 0.00 C ATOM 552 CG1 ILE A 38 8.916 -2.921 2.686 1.00 0.00 C ATOM 553 CG2 ILE A 38 9.832 -2.932 5.022 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.335 -4.271 2.146 1.00 0.00 C ATOM 0 H ILE A 38 10.571 -0.309 1.868 1.00 0.00 H new ATOM 0 HA ILE A 38 8.759 -0.578 4.182 1.00 0.00 H new ATOM 0 HB ILE A 38 10.937 -2.495 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.963 -3.026 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.751 -2.240 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.981 -4.009 4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.594 -2.508 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.845 -2.732 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.563 -4.651 1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.272 -4.169 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.472 -4.967 2.973 1.00 0.00 H new ATOM 566 N MET A 39 10.454 0.231 5.814 1.00 0.00 N ATOM 567 CA MET A 39 11.406 0.820 6.749 1.00 0.00 C ATOM 568 C MET A 39 12.316 -0.250 7.344 1.00 0.00 C ATOM 569 O MET A 39 11.845 -1.200 7.970 1.00 0.00 O ATOM 570 CB MET A 39 10.666 1.557 7.866 1.00 0.00 C ATOM 571 CG MET A 39 9.760 2.669 7.365 1.00 0.00 C ATOM 572 SD MET A 39 10.681 4.071 6.703 1.00 0.00 S ATOM 573 CE MET A 39 9.552 4.653 5.440 1.00 0.00 C ATOM 0 H MET A 39 9.500 0.165 6.169 1.00 0.00 H new ATOM 0 HA MET A 39 12.023 1.532 6.201 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.069 0.840 8.430 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.396 1.978 8.558 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.101 2.275 6.592 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.124 3.010 8.182 1.00 0.00 H new ATOM 0 HE1 MET A 39 10.096 5.263 4.719 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.106 3.800 4.929 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.766 5.251 5.902 1.00 0.00 H new ATOM 691 N LYS A 48 12.723 -3.406 9.550 1.00 0.00 N ATOM 692 CA LYS A 48 12.390 -2.767 10.818 1.00 0.00 C ATOM 693 C LYS A 48 11.122 -3.369 11.413 1.00 0.00 C ATOM 694 O LYS A 48 11.125 -3.858 12.542 1.00 0.00 O ATOM 695 CB LYS A 48 12.209 -1.261 10.622 1.00 0.00 C ATOM 696 CG LYS A 48 12.246 -0.470 11.918 1.00 0.00 C ATOM 697 CD LYS A 48 13.671 -0.137 12.327 1.00 0.00 C ATOM 698 CE LYS A 48 13.750 0.269 13.791 1.00 0.00 C ATOM 699 NZ LYS A 48 13.502 -0.884 14.700 1.00 0.00 N ATOM 0 HA LYS A 48 13.213 -2.940 11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.992 -0.893 9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.257 -1.080 10.123 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.676 0.451 11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.764 -1.044 12.709 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.312 -1.001 12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.050 0.672 11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.734 0.690 13.999 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.019 1.053 13.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.870 -0.664 15.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.480 -1.066 14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.983 -1.728 14.329 1.00 0.00 H new ATOM 713 N GLY A 49 10.037 -3.332 10.645 1.00 0.00 N ATOM 714 CA GLY A 49 8.777 -3.878 11.114 1.00 0.00 C ATOM 715 C GLY A 49 7.579 -3.178 10.504 1.00 0.00 C ATOM 716 O GLY A 49 6.481 -3.734 10.461 1.00 0.00 O ATOM 0 H GLY A 49 10.008 -2.934 9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.734 -4.941 10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.729 -3.793 12.200 1.00 0.00 H new ATOM 720 N TYR A 50 7.788 -1.953 10.033 1.00 0.00 N ATOM 721 CA TYR A 50 6.715 -1.174 9.427 1.00 0.00 C ATOM 722 C TYR A 50 7.101 -0.715 8.024 1.00 0.00 C ATOM 723 O TYR A 50 8.280 -0.539 7.719 1.00 0.00 O ATOM 724 CB TYR A 50 6.381 0.038 10.298 1.00 0.00 C ATOM 725 CG TYR A 50 7.601 0.761 10.822 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.293 0.286 11.929 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.062 1.920 10.209 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.408 0.945 12.411 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.176 2.585 10.683 1.00 0.00 C ATOM 730 CZ TYR A 50 9.845 2.093 11.785 1.00 0.00 C ATOM 731 OH TYR A 50 10.956 2.751 12.261 1.00 0.00 O ATOM 0 H TYR A 50 8.691 -1.479 10.059 1.00 0.00 H new ATOM 0 HA TYR A 50 5.835 -1.812 9.352 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.776 0.736 9.719 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.772 -0.288 11.141 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.954 -0.613 12.421 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.540 2.308 9.347 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.934 0.563 13.273 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.521 3.484 10.194 1.00 0.00 H new ATOM 0 HH TYR A 50 11.131 3.540 11.707 1.00 0.00 H new ATOM 741 N ALA A 51 6.097 -0.522 7.175 1.00 0.00 N ATOM 742 CA ALA A 51 6.329 -0.081 5.805 1.00 0.00 C ATOM 743 C ALA A 51 5.371 1.040 5.419 1.00 0.00 C ATOM 744 O ALA A 51 4.414 1.328 6.139 1.00 0.00 O ATOM 745 CB ALA A 51 6.189 -1.252 4.843 1.00 0.00 C ATOM 0 H ALA A 51 5.115 -0.664 7.412 1.00 0.00 H new ATOM 0 HA ALA A 51 7.345 0.308 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.365 -0.908 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.918 -2.021 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.184 -1.666 4.918 1.00 0.00 H new ATOM 751 N PHE A 52 5.633 1.671 4.280 1.00 0.00 N ATOM 752 CA PHE A 52 4.795 2.763 3.799 1.00 0.00 C ATOM 753 C PHE A 52 4.369 2.526 2.353 1.00 0.00 C ATOM 754 O PHE A 52 5.201 2.263 1.485 1.00 0.00 O ATOM 755 CB PHE A 52 5.540 4.095 3.912 1.00 0.00 C ATOM 756 CG PHE A 52 5.571 4.648 5.308 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.225 3.969 6.323 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.946 5.849 5.605 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.254 4.476 7.608 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.972 6.361 6.888 1.00 0.00 C ATOM 761 CZ PHE A 52 5.628 5.674 7.891 1.00 0.00 C ATOM 0 H PHE A 52 6.420 1.445 3.672 1.00 0.00 H new ATOM 0 HA PHE A 52 3.901 2.802 4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.563 3.961 3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.069 4.823 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.718 3.033 6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.433 6.391 4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.766 3.936 8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.480 7.297 7.107 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.651 6.073 8.894 1.00 0.00 H new ATOM 771 N ILE A 53 3.067 2.622 2.103 1.00 0.00 N ATOM 772 CA ILE A 53 2.531 2.418 0.763 1.00 0.00 C ATOM 773 C ILE A 53 1.448 3.443 0.444 1.00 0.00 C ATOM 774 O ILE A 53 0.628 3.781 1.296 1.00 0.00 O ATOM 775 CB ILE A 53 1.946 1.003 0.599 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.991 -0.050 0.974 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.462 0.792 -0.827 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.495 -1.472 0.831 1.00 0.00 C ATOM 0 H ILE A 53 2.365 2.840 2.810 1.00 0.00 H new ATOM 0 HA ILE A 53 3.362 2.541 0.069 1.00 0.00 H new ATOM 0 HB ILE A 53 1.094 0.898 1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.871 0.084 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.307 0.114 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.051 -0.213 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.690 1.525 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.298 0.913 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.288 -2.164 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.633 -1.624 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.206 -1.654 -0.204 1.00 0.00 H new ATOM 790 N ASN A 54 1.451 3.933 -0.792 1.00 0.00 N ATOM 791 CA ASN A 54 0.468 4.919 -1.226 1.00 0.00 C ATOM 792 C ASN A 54 -0.389 4.370 -2.363 1.00 0.00 C ATOM 793 O ASN A 54 0.127 3.789 -3.318 1.00 0.00 O ATOM 794 CB ASN A 54 1.167 6.205 -1.673 1.00 0.00 C ATOM 795 CG ASN A 54 1.733 6.991 -0.507 1.00 0.00 C ATOM 796 OD1 ASN A 54 1.932 6.451 0.582 1.00 0.00 O ATOM 797 ND2 ASN A 54 1.996 8.273 -0.730 1.00 0.00 N ATOM 0 H ASN A 54 2.123 3.663 -1.510 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.183 5.143 -0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.972 5.956 -2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.459 6.829 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.379 8.853 0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.815 8.678 -1.648 1.00 0.00 H new ATOM 804 N PHE A 55 -1.699 4.559 -2.254 1.00 0.00 N ATOM 805 CA PHE A 55 -2.628 4.083 -3.272 1.00 0.00 C ATOM 806 C PHE A 55 -2.984 5.200 -4.249 1.00 0.00 C ATOM 807 O PHE A 55 -2.644 6.362 -4.030 1.00 0.00 O ATOM 808 CB PHE A 55 -3.899 3.537 -2.619 1.00 0.00 C ATOM 809 CG PHE A 55 -3.823 2.074 -2.288 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.196 1.645 -1.129 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.377 1.129 -3.135 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.124 0.299 -0.822 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.308 -0.218 -2.833 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.681 -0.633 -1.674 1.00 0.00 C ATOM 0 H PHE A 55 -2.142 5.039 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.140 3.281 -3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.098 4.098 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.743 3.707 -3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.759 2.370 -0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.869 1.448 -4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.632 -0.023 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.744 -0.945 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.627 -1.685 -1.435 1.00 0.00 H new ATOM 824 N ALA A 56 -3.670 4.838 -5.328 1.00 0.00 N ATOM 825 CA ALA A 56 -4.073 5.808 -6.338 1.00 0.00 C ATOM 826 C ALA A 56 -4.973 6.884 -5.738 1.00 0.00 C ATOM 827 O ALA A 56 -4.687 8.076 -5.845 1.00 0.00 O ATOM 828 CB ALA A 56 -4.780 5.109 -7.490 1.00 0.00 C ATOM 0 H ALA A 56 -3.958 3.880 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.174 6.293 -6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.075 5.846 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.106 4.383 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.666 4.597 -7.116 1.00 0.00 H new ATOM 834 N SER A 57 -6.061 6.454 -5.107 1.00 0.00 N ATOM 835 CA SER A 57 -7.005 7.380 -4.493 1.00 0.00 C ATOM 836 C SER A 57 -7.460 6.869 -3.129 1.00 0.00 C ATOM 837 O SER A 57 -7.111 5.761 -2.721 1.00 0.00 O ATOM 838 CB SER A 57 -8.217 7.584 -5.404 1.00 0.00 C ATOM 839 OG SER A 57 -7.888 8.397 -6.517 1.00 0.00 O ATOM 0 H SER A 57 -6.310 5.470 -5.008 1.00 0.00 H new ATOM 0 HA SER A 57 -6.499 8.335 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.582 6.617 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.027 8.046 -4.839 1.00 0.00 H new ATOM 0 HG SER A 57 -8.679 8.511 -7.084 1.00 0.00 H new ATOM 845 N PHE A 58 -8.240 7.686 -2.429 1.00 0.00 N ATOM 846 CA PHE A 58 -8.742 7.318 -1.110 1.00 0.00 C ATOM 847 C PHE A 58 -9.612 6.067 -1.189 1.00 0.00 C ATOM 848 O PHE A 58 -9.526 5.183 -0.335 1.00 0.00 O ATOM 849 CB PHE A 58 -9.544 8.473 -0.506 1.00 0.00 C ATOM 850 CG PHE A 58 -8.714 9.690 -0.213 1.00 0.00 C ATOM 851 CD1 PHE A 58 -8.357 10.562 -1.229 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.291 9.962 1.078 1.00 0.00 C ATOM 853 CE1 PHE A 58 -7.593 11.683 -0.962 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.527 11.081 1.351 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.179 11.943 0.330 1.00 0.00 C ATOM 0 H PHE A 58 -8.538 8.606 -2.753 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.886 7.104 -0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.346 8.746 -1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.016 8.134 0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.679 10.364 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.561 9.292 1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.320 12.355 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.203 11.281 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.584 12.819 0.541 1.00 0.00 H new ATOM 865 N ASP A 59 -10.449 5.999 -2.218 1.00 0.00 N ATOM 866 CA ASP A 59 -11.334 4.856 -2.410 1.00 0.00 C ATOM 867 C ASP A 59 -10.583 3.545 -2.201 1.00 0.00 C ATOM 868 O ASP A 59 -11.106 2.607 -1.602 1.00 0.00 O ATOM 869 CB ASP A 59 -11.949 4.889 -3.810 1.00 0.00 C ATOM 870 CG ASP A 59 -12.735 3.633 -4.127 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.914 3.552 -3.720 1.00 0.00 O ATOM 872 OD2 ASP A 59 -12.173 2.731 -4.781 1.00 0.00 O ATOM 0 H ASP A 59 -10.533 6.722 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.132 4.918 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.605 5.756 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.157 5.015 -4.549 1.00 0.00 H new ATOM 877 N ALA A 60 -9.353 3.489 -2.701 1.00 0.00 N ATOM 878 CA ALA A 60 -8.529 2.293 -2.569 1.00 0.00 C ATOM 879 C ALA A 60 -8.047 2.115 -1.134 1.00 0.00 C ATOM 880 O ALA A 60 -8.114 1.018 -0.578 1.00 0.00 O ATOM 881 CB ALA A 60 -7.344 2.361 -3.522 1.00 0.00 C ATOM 0 H ALA A 60 -8.905 4.257 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.141 1.429 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.737 1.462 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.706 2.433 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.739 3.237 -3.289 1.00 0.00 H new ATOM 887 N SER A 61 -7.559 3.199 -0.539 1.00 0.00 N ATOM 888 CA SER A 61 -7.062 3.160 0.831 1.00 0.00 C ATOM 889 C SER A 61 -8.153 2.702 1.793 1.00 0.00 C ATOM 890 O SER A 61 -7.887 1.977 2.752 1.00 0.00 O ATOM 891 CB SER A 61 -6.545 4.539 1.248 1.00 0.00 C ATOM 892 OG SER A 61 -7.577 5.315 1.832 1.00 0.00 O ATOM 0 H SER A 61 -7.497 4.115 -0.984 1.00 0.00 H new ATOM 0 HA SER A 61 -6.242 2.444 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.726 4.424 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.143 5.058 0.378 1.00 0.00 H new ATOM 0 HG SER A 61 -7.390 5.444 2.785 1.00 0.00 H new ATOM 898 N ASP A 62 -9.383 3.129 1.529 1.00 0.00 N ATOM 899 CA ASP A 62 -10.517 2.763 2.370 1.00 0.00 C ATOM 900 C ASP A 62 -10.673 1.247 2.441 1.00 0.00 C ATOM 901 O ASP A 62 -10.754 0.672 3.526 1.00 0.00 O ATOM 902 CB ASP A 62 -11.802 3.396 1.835 1.00 0.00 C ATOM 903 CG ASP A 62 -12.839 3.608 2.920 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.537 4.325 3.897 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.952 3.055 2.793 1.00 0.00 O ATOM 0 H ASP A 62 -9.620 3.729 0.739 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.328 3.139 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.566 4.353 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.221 2.758 1.056 1.00 0.00 H new ATOM 910 N ALA A 63 -10.716 0.607 1.277 1.00 0.00 N ATOM 911 CA ALA A 63 -10.862 -0.842 1.207 1.00 0.00 C ATOM 912 C ALA A 63 -9.884 -1.538 2.147 1.00 0.00 C ATOM 913 O ALA A 63 -10.282 -2.347 2.985 1.00 0.00 O ATOM 914 CB ALA A 63 -10.659 -1.324 -0.221 1.00 0.00 C ATOM 0 H ALA A 63 -10.652 1.069 0.370 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.873 -1.097 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.771 -2.408 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.401 -0.860 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.659 -1.050 -0.559 1.00 0.00 H new ATOM 920 N ALA A 64 -8.602 -1.219 2.002 1.00 0.00 N ATOM 921 CA ALA A 64 -7.567 -1.814 2.839 1.00 0.00 C ATOM 922 C ALA A 64 -7.860 -1.586 4.318 1.00 0.00 C ATOM 923 O ALA A 64 -8.122 -2.532 5.061 1.00 0.00 O ATOM 924 CB ALA A 64 -6.203 -1.246 2.475 1.00 0.00 C ATOM 0 H ALA A 64 -8.255 -0.552 1.313 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.560 -2.889 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.440 -1.699 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.985 -1.465 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.206 -0.167 2.627 1.00 0.00 H new ATOM 930 N ILE A 65 -7.811 -0.326 4.738 1.00 0.00 N ATOM 931 CA ILE A 65 -8.072 0.025 6.129 1.00 0.00 C ATOM 932 C ILE A 65 -9.297 -0.711 6.662 1.00 0.00 C ATOM 933 O ILE A 65 -9.436 -0.911 7.868 1.00 0.00 O ATOM 934 CB ILE A 65 -8.284 1.541 6.296 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.003 2.300 5.943 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.720 1.861 7.719 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.235 3.759 5.620 1.00 0.00 C ATOM 0 H ILE A 65 -7.593 0.468 4.136 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.194 -0.276 6.701 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.072 1.860 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.306 2.227 6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.529 1.818 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.866 2.936 7.822 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.655 1.345 7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.952 1.531 8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.284 4.234 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.907 3.840 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.681 4.256 6.482 1.00 0.00 H new ATOM 949 N GLU A 66 -10.181 -1.111 5.754 1.00 0.00 N ATOM 950 CA GLU A 66 -11.394 -1.826 6.133 1.00 0.00 C ATOM 951 C GLU A 66 -11.116 -3.316 6.306 1.00 0.00 C ATOM 952 O GLU A 66 -11.476 -3.912 7.321 1.00 0.00 O ATOM 953 CB GLU A 66 -12.485 -1.619 5.080 1.00 0.00 C ATOM 954 CG GLU A 66 -13.874 -2.007 5.559 1.00 0.00 C ATOM 955 CD GLU A 66 -14.951 -1.696 4.537 1.00 0.00 C ATOM 956 OE1 GLU A 66 -15.323 -0.510 4.412 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.421 -2.636 3.864 1.00 0.00 O ATOM 0 H GLU A 66 -10.080 -0.952 4.751 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.738 -1.425 7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.493 -0.572 4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.239 -2.204 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.891 -3.073 5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.095 -1.479 6.487 1.00 0.00 H new ATOM 964 N ALA A 67 -10.472 -3.912 5.308 1.00 0.00 N ATOM 965 CA ALA A 67 -10.144 -5.332 5.350 1.00 0.00 C ATOM 966 C ALA A 67 -8.692 -5.548 5.760 1.00 0.00 C ATOM 967 O ALA A 67 -8.411 -6.216 6.754 1.00 0.00 O ATOM 968 CB ALA A 67 -10.414 -5.976 3.998 1.00 0.00 C ATOM 0 H ALA A 67 -10.167 -3.434 4.460 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.780 -5.804 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.165 -7.036 4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.468 -5.862 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.803 -5.492 3.236 1.00 0.00 H new ATOM 974 N MET A 68 -7.772 -4.978 4.988 1.00 0.00 N ATOM 975 CA MET A 68 -6.348 -5.108 5.273 1.00 0.00 C ATOM 976 C MET A 68 -6.062 -4.842 6.747 1.00 0.00 C ATOM 977 O MET A 68 -5.125 -5.399 7.317 1.00 0.00 O ATOM 978 CB MET A 68 -5.542 -4.142 4.402 1.00 0.00 C ATOM 979 CG MET A 68 -5.132 -4.730 3.062 1.00 0.00 C ATOM 980 SD MET A 68 -3.537 -5.569 3.130 1.00 0.00 S ATOM 981 CE MET A 68 -4.058 -7.279 3.238 1.00 0.00 C ATOM 0 H MET A 68 -7.987 -4.422 4.161 1.00 0.00 H new ATOM 0 HA MET A 68 -6.048 -6.130 5.042 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.133 -3.242 4.229 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.647 -3.837 4.945 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.895 -5.434 2.730 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.088 -3.934 2.319 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.787 -7.681 4.214 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.138 -7.339 3.108 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.566 -7.859 2.458 1.00 0.00 H new ATOM 991 N ASN A 69 -6.875 -3.987 7.358 1.00 0.00 N ATOM 992 CA ASN A 69 -6.708 -3.646 8.767 1.00 0.00 C ATOM 993 C ASN A 69 -6.927 -4.870 9.652 1.00 0.00 C ATOM 994 O ASN A 69 -8.020 -5.084 10.173 1.00 0.00 O ATOM 995 CB ASN A 69 -7.682 -2.535 9.163 1.00 0.00 C ATOM 996 CG ASN A 69 -7.780 -2.361 10.667 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.767 -2.232 11.355 1.00 0.00 O ATOM 998 ND2 ASN A 69 -9.003 -2.358 11.183 1.00 0.00 N ATOM 0 H ASN A 69 -7.656 -3.517 6.900 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.687 -3.293 8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.361 -1.596 8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.670 -2.761 8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.132 -2.246 12.189 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.814 -2.468 10.574 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.877 -5.669 9.817 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.975 -6.861 10.640 1.00 0.00 C ATOM 1007 C GLY A 70 -5.633 -8.123 9.874 1.00 0.00 C ATOM 1008 O GLY A 70 -5.202 -9.115 10.461 1.00 0.00 O ATOM 0 H GLY A 70 -4.961 -5.513 9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.305 -6.765 11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.987 -6.943 11.036 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.827 -8.087 8.560 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.538 -9.239 7.713 1.00 0.00 C ATOM 1014 C GLN A 71 -4.317 -9.997 8.223 1.00 0.00 C ATOM 1015 O GLN A 71 -3.220 -9.444 8.304 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.309 -8.793 6.268 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.588 -8.697 5.451 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.136 -10.056 5.065 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -8.197 -10.468 5.536 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -6.415 -10.762 4.201 1.00 0.00 N ATOM 0 H GLN A 71 -6.183 -7.273 8.058 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.398 -9.907 7.747 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.815 -7.821 6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.630 -9.494 5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.341 -8.155 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.396 -8.117 4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.542 -10.382 3.836 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.735 -11.684 3.903 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.515 -11.265 8.567 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.430 -12.098 9.072 1.00 0.00 C ATOM 1031 C TYR A 72 -2.399 -12.371 7.981 1.00 0.00 C ATOM 1032 O TYR A 72 -2.608 -13.218 7.112 1.00 0.00 O ATOM 1033 CB TYR A 72 -3.982 -13.419 9.611 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.197 -13.970 10.780 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.277 -13.381 12.036 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.376 -15.081 10.629 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.562 -13.881 13.107 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.658 -15.588 11.695 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.755 -14.985 12.932 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.040 -15.487 13.995 1.00 0.00 O ATOM 0 H TYR A 72 -5.417 -11.738 8.505 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.939 -11.559 9.883 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.018 -13.273 9.916 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.987 -14.156 8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.909 -12.517 12.177 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.298 -15.556 9.662 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.635 -13.410 14.076 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.024 -16.452 11.561 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.523 -16.267 13.703 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.286 -11.649 8.034 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.221 -11.812 7.051 1.00 0.00 C ATOM 1052 C LEU A 73 0.768 -12.886 7.493 1.00 0.00 C ATOM 1053 O LEU A 73 0.674 -13.411 8.603 1.00 0.00 O ATOM 1054 CB LEU A 73 0.511 -10.486 6.837 1.00 0.00 C ATOM 1055 CG LEU A 73 1.304 -10.359 5.535 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.493 -10.887 4.362 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.710 -8.912 5.297 1.00 0.00 C ATOM 0 H LEU A 73 -1.097 -10.945 8.747 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.674 -12.125 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.222 -9.680 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.195 -10.333 7.672 1.00 0.00 H new ATOM 0 HG LEU A 73 2.209 -10.960 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.073 -10.788 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.253 -11.937 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.430 -10.314 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.273 -8.840 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.817 -8.290 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.331 -8.567 6.124 1.00 0.00 H new ATOM 1069 N CYS A 74 1.717 -13.205 6.620 1.00 0.00 N ATOM 1070 CA CYS A 74 2.725 -14.215 6.922 1.00 0.00 C ATOM 1071 C CYS A 74 3.052 -14.229 8.411 1.00 0.00 C ATOM 1072 O CYS A 74 3.936 -13.507 8.869 1.00 0.00 O ATOM 1073 CB CYS A 74 3.995 -13.956 6.110 1.00 0.00 C ATOM 1074 SG CYS A 74 3.918 -14.557 4.406 1.00 0.00 S ATOM 0 H CYS A 74 1.810 -12.779 5.698 1.00 0.00 H new ATOM 0 HA CYS A 74 2.321 -15.190 6.649 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.193 -12.884 6.097 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.838 -14.430 6.613 1.00 0.00 H new ATOM 0 HG CYS A 74 5.037 -14.290 3.801 1.00 0.00 H new ATOM 1080 N ASN A 75 2.332 -15.056 9.162 1.00 0.00 N ATOM 1081 CA ASN A 75 2.544 -15.162 10.601 1.00 0.00 C ATOM 1082 C ASN A 75 2.814 -13.791 11.214 1.00 0.00 C ATOM 1083 O ASN A 75 3.753 -13.622 11.992 1.00 0.00 O ATOM 1084 CB ASN A 75 3.713 -16.104 10.897 1.00 0.00 C ATOM 1085 CG ASN A 75 3.566 -16.807 12.233 1.00 0.00 C ATOM 1086 OD1 ASN A 75 3.282 -16.175 13.251 1.00 0.00 O ATOM 1087 ND2 ASN A 75 3.759 -18.121 12.235 1.00 0.00 N ATOM 0 H ASN A 75 1.597 -15.662 8.798 1.00 0.00 H new ATOM 0 HA ASN A 75 1.636 -15.568 11.048 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.786 -16.848 10.104 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.644 -15.537 10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.673 -18.648 13.104 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.993 -18.603 11.367 1.00 0.00 H new ATOM 1094 N ARG A 76 1.984 -12.817 10.858 1.00 0.00 N ATOM 1095 CA ARG A 76 2.133 -11.461 11.373 1.00 0.00 C ATOM 1096 C ARG A 76 0.927 -10.602 11.000 1.00 0.00 C ATOM 1097 O ARG A 76 0.721 -10.250 9.838 1.00 0.00 O ATOM 1098 CB ARG A 76 3.413 -10.824 10.829 1.00 0.00 C ATOM 1099 CG ARG A 76 4.668 -11.247 11.576 1.00 0.00 C ATOM 1100 CD ARG A 76 5.712 -10.141 11.582 1.00 0.00 C ATOM 1101 NE ARG A 76 7.032 -10.637 11.963 1.00 0.00 N ATOM 1102 CZ ARG A 76 7.410 -10.827 13.222 1.00 0.00 C ATOM 1103 NH1 ARG A 76 6.573 -10.564 14.216 1.00 0.00 N ATOM 1104 NH2 ARG A 76 8.628 -11.280 13.489 1.00 0.00 N ATOM 0 H ARG A 76 1.202 -12.941 10.215 1.00 0.00 H new ATOM 0 HA ARG A 76 2.196 -11.517 12.460 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.521 -11.087 9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.319 -9.739 10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.411 -11.511 12.602 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.085 -12.140 11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.767 -9.689 10.592 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.406 -9.357 12.274 1.00 0.00 H new ATOM 0 HE ARG A 76 7.700 -10.849 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.636 -10.215 14.015 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.866 -10.711 15.182 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.275 -11.483 12.727 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.917 -11.426 14.456 1.00 0.00 H new ATOM 1118 N PRO A 77 0.111 -10.258 12.007 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.087 -9.437 11.809 1.00 0.00 C ATOM 1120 C PRO A 77 -0.749 -7.992 11.459 1.00 0.00 C ATOM 1121 O PRO A 77 -0.284 -7.230 12.308 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.793 -9.507 13.166 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.705 -9.789 14.144 1.00 0.00 C ATOM 1124 CD PRO A 77 0.296 -10.642 13.416 1.00 0.00 C ATOM 0 HA PRO A 77 -1.694 -9.796 10.978 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.300 -8.570 13.397 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.550 -10.291 13.179 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.247 -8.864 14.496 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.093 -10.306 15.021 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.313 -10.446 13.756 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.107 -11.704 13.571 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.985 -7.621 10.205 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.706 -6.267 9.744 1.00 0.00 C ATOM 1134 C ILE A 78 -1.790 -5.296 10.202 1.00 0.00 C ATOM 1135 O ILE A 78 -2.883 -5.708 10.594 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.593 -6.206 8.210 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.963 -6.436 7.566 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.411 -7.235 7.711 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.973 -6.209 6.071 1.00 0.00 C ATOM 0 H ILE A 78 -1.369 -8.239 9.490 1.00 0.00 H new ATOM 0 HA ILE A 78 0.249 -5.975 10.182 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.240 -5.215 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.286 -7.456 7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.691 -5.771 8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.480 -7.179 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.389 -7.031 8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.085 -8.233 8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.975 -6.390 5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.681 -5.181 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.270 -6.892 5.595 1.00 0.00 H new ATOM 1151 N THR A 79 -1.481 -4.004 10.148 1.00 0.00 N ATOM 1152 CA THR A 79 -2.429 -2.975 10.556 1.00 0.00 C ATOM 1153 C THR A 79 -2.342 -1.756 9.644 1.00 0.00 C ATOM 1154 O THR A 79 -1.332 -1.052 9.626 1.00 0.00 O ATOM 1155 CB THR A 79 -2.184 -2.531 12.011 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.805 -2.195 12.196 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.578 -3.632 12.985 1.00 0.00 C ATOM 0 H THR A 79 -0.582 -3.646 9.826 1.00 0.00 H new ATOM 0 HA THR A 79 -3.424 -3.413 10.480 1.00 0.00 H new ATOM 0 HB THR A 79 -2.800 -1.654 12.209 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.464 -1.755 11.389 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.397 -3.297 14.006 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.636 -3.865 12.862 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.984 -4.524 12.785 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.409 -1.511 8.889 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.454 -0.376 7.976 1.00 0.00 C ATOM 1167 C VAL A 80 -4.134 0.824 8.624 1.00 0.00 C ATOM 1168 O VAL A 80 -5.255 0.721 9.123 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.197 -0.732 6.674 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.151 0.433 5.697 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.605 -1.986 6.050 1.00 0.00 C ATOM 0 H VAL A 80 -4.253 -2.084 8.892 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.421 -0.120 7.738 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.241 -0.931 6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.681 0.163 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.626 1.305 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.113 0.667 5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.141 -2.223 5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.553 -1.817 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.696 -2.818 6.749 1.00 0.00 H new ATOM 1181 N SER A 81 -3.450 1.964 8.613 1.00 0.00 N ATOM 1182 CA SER A 81 -3.986 3.184 9.204 1.00 0.00 C ATOM 1183 C SER A 81 -3.528 4.412 8.423 1.00 0.00 C ATOM 1184 O SER A 81 -2.332 4.622 8.219 1.00 0.00 O ATOM 1185 CB SER A 81 -3.550 3.303 10.665 1.00 0.00 C ATOM 1186 OG SER A 81 -2.174 3.626 10.762 1.00 0.00 O ATOM 0 H SER A 81 -2.523 2.068 8.201 1.00 0.00 H new ATOM 0 HA SER A 81 -5.074 3.132 9.161 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.143 4.070 11.163 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.744 2.364 11.183 1.00 0.00 H new ATOM 0 HG SER A 81 -1.842 3.909 9.885 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.488 5.221 7.989 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.186 6.427 7.228 1.00 0.00 C ATOM 1194 C TYR A 82 -2.929 7.107 7.763 1.00 0.00 C ATOM 1195 O TYR A 82 -2.851 7.455 8.941 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.366 7.398 7.280 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.412 7.138 6.220 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -6.122 7.308 4.872 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.691 6.719 6.567 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -7.075 7.072 3.901 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.650 6.479 5.602 1.00 0.00 C ATOM 1202 CZ TYR A 82 -8.337 6.657 4.270 1.00 0.00 C ATOM 1203 OH TYR A 82 -9.289 6.419 3.305 1.00 0.00 O ATOM 0 H TYR A 82 -5.483 5.063 8.151 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.009 6.138 6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.834 7.336 8.263 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.993 8.416 7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.134 7.630 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.939 6.579 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.833 7.212 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.639 6.154 5.889 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.848 6.199 2.458 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.947 7.294 6.887 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.695 7.935 7.269 1.00 0.00 C ATOM 1215 C ALA A 83 -0.950 9.254 7.990 1.00 0.00 C ATOM 1216 O ALA A 83 -0.434 9.486 9.083 1.00 0.00 O ATOM 1217 CB ALA A 83 0.177 8.162 6.043 1.00 0.00 C ATOM 0 H ALA A 83 -1.995 7.011 5.908 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.171 7.271 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.109 8.641 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.397 7.205 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.349 8.803 5.336 1.00 0.00 H new