USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 58 MET CE :methyl -121:sc= -6.4! (180deg=-9.34!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -111:sc= -2.02 (180deg=-4.83!) USER MOD Set 2.1: A 46 MET CE :methyl -117:sc= -2.55 (180deg=-8.28!) USER MOD Set 2.2: B 9 ASN : amide:sc= -2.16 K(o=-4.7,f=-9.8!) USER MOD Set 3.1: A 18 GLN : amide:sc= 0.328 K(o=-2,f=-3) USER MOD Set 3.2: A 22 GLN : amide:sc= -2.69! X(o=-2!,f=-1.8) USER MOD Set 3.3: B 18 TYR OH : rot -39:sc= 0.345 USER MOD Set 4.1: A 11 MET CE :methyl -135:sc= -0.409 (180deg=-1.22) USER MOD Set 4.2: A 14 SER OG : rot 86:sc= 0.258 USER MOD Single : A 8 THR OG1 : rot -30:sc= 0.0086 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -14.1! C(o=-14!,f=-16!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -161:sc= 0 (180deg=-0.0325) USER MOD Single : A 33 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.4!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -5.87! C(o=-7.6!,f=-5.9!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 142:sc= -0.052 (180deg=-0.924!) USER MOD Single : A 44 THR OG1 : rot 88:sc= 1.18 USER MOD Single : A 52 ASN :FLIP amide:sc= -11.3! C(o=-12!,f=-11!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.0978 X(o=-0.098,f=-0.29) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 80:sc= 1.23 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 153:sc= -0.341 (180deg=-1.36!) USER MOD Single : B 7 SER OG : rot 120:sc= 0.0533 USER MOD Single : B 14 TYR OH : rot 180:sc=-0.000751 USER MOD Single : B 16 SER OG : rot 109:sc= -0.729! USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.271 -6.859 -12.627 1.00 0.00 N ATOM 95 CA THR A 8 -4.154 -5.770 -12.237 1.00 0.00 C ATOM 96 C THR A 8 -5.264 -5.566 -13.254 1.00 0.00 C ATOM 97 O THR A 8 -6.397 -5.258 -12.882 1.00 0.00 O ATOM 98 CB THR A 8 -3.346 -4.486 -12.068 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.837 -4.045 -13.316 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.176 -4.648 -11.121 1.00 0.00 C ATOM 0 HA THR A 8 -4.620 -6.031 -11.287 1.00 0.00 H new ATOM 0 HB THR A 8 -4.037 -3.755 -11.649 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.675 -4.819 -13.895 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.639 -3.703 -11.041 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.542 -4.942 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.503 -5.416 -11.502 1.00 0.00 H new ATOM 108 N ALA A 9 -4.962 -5.772 -14.529 1.00 0.00 N ATOM 109 CA ALA A 9 -5.979 -5.642 -15.558 1.00 0.00 C ATOM 110 C ALA A 9 -7.099 -6.630 -15.270 1.00 0.00 C ATOM 111 O ALA A 9 -8.227 -6.242 -14.969 1.00 0.00 O ATOM 112 CB ALA A 9 -5.388 -5.881 -16.942 1.00 0.00 C ATOM 0 H ALA A 9 -4.035 -6.026 -14.870 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.377 -4.627 -15.546 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.170 -5.778 -17.694 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.602 -5.150 -17.133 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.969 -6.886 -16.990 1.00 0.00 H new ATOM 118 N SER A 10 -6.780 -7.915 -15.390 1.00 0.00 N ATOM 119 CA SER A 10 -7.753 -8.977 -15.169 1.00 0.00 C ATOM 120 C SER A 10 -8.385 -8.902 -13.781 1.00 0.00 C ATOM 121 O SER A 10 -9.508 -9.371 -13.586 1.00 0.00 O ATOM 122 CB SER A 10 -7.083 -10.339 -15.347 1.00 0.00 C ATOM 123 OG SER A 10 -8.047 -11.377 -15.394 1.00 0.00 O ATOM 0 H SER A 10 -5.849 -8.246 -15.641 1.00 0.00 H new ATOM 0 HA SER A 10 -8.547 -8.847 -15.904 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.495 -10.342 -16.265 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.391 -10.518 -14.524 1.00 0.00 H new ATOM 0 HG SER A 10 -7.595 -12.239 -15.510 1.00 0.00 H new ATOM 129 N MET A 11 -7.681 -8.319 -12.813 1.00 0.00 N ATOM 130 CA MET A 11 -8.232 -8.221 -11.468 1.00 0.00 C ATOM 131 C MET A 11 -9.483 -7.355 -11.480 1.00 0.00 C ATOM 132 O MET A 11 -10.483 -7.674 -10.838 1.00 0.00 O ATOM 133 CB MET A 11 -7.195 -7.672 -10.489 1.00 0.00 C ATOM 134 CG MET A 11 -6.509 -8.763 -9.679 1.00 0.00 C ATOM 135 SD MET A 11 -7.630 -9.583 -8.526 1.00 0.00 S ATOM 136 CE MET A 11 -7.871 -11.157 -9.347 1.00 0.00 C ATOM 0 H MET A 11 -6.751 -7.917 -12.931 1.00 0.00 H new ATOM 0 HA MET A 11 -8.504 -9.221 -11.131 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.443 -7.110 -11.042 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.680 -6.972 -9.809 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.087 -9.504 -10.358 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.677 -8.329 -9.124 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.930 -11.415 -9.335 1.00 0.00 H new ATOM 0 HE2 MET A 11 -7.526 -11.086 -10.379 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.304 -11.929 -8.827 1.00 0.00 H new ATOM 146 N LEU A 12 -9.429 -6.272 -12.236 1.00 0.00 N ATOM 147 CA LEU A 12 -10.574 -5.380 -12.357 1.00 0.00 C ATOM 148 C LEU A 12 -11.771 -6.157 -12.886 1.00 0.00 C ATOM 149 O LEU A 12 -12.825 -6.210 -12.251 1.00 0.00 O ATOM 150 CB LEU A 12 -10.246 -4.204 -13.287 1.00 0.00 C ATOM 151 CG LEU A 12 -10.747 -2.832 -12.820 1.00 0.00 C ATOM 152 CD1 LEU A 12 -12.145 -2.562 -13.354 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.732 -2.744 -11.302 1.00 0.00 C ATOM 0 H LEU A 12 -8.610 -5.988 -12.774 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.815 -4.977 -11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.164 -4.153 -13.412 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.671 -4.411 -14.269 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.074 -2.071 -13.215 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.483 -1.584 -13.012 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.128 -2.579 -14.444 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.828 -3.329 -12.990 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.091 -1.763 -10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.380 -3.516 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.715 -2.890 -10.939 1.00 0.00 H new ATOM 165 N ALA A 13 -11.584 -6.786 -14.044 1.00 0.00 N ATOM 166 CA ALA A 13 -12.628 -7.596 -14.664 1.00 0.00 C ATOM 167 C ALA A 13 -12.857 -8.898 -13.893 1.00 0.00 C ATOM 168 O ALA A 13 -13.616 -9.762 -14.331 1.00 0.00 O ATOM 169 CB ALA A 13 -12.249 -7.904 -16.099 1.00 0.00 C ATOM 0 H ALA A 13 -10.713 -6.749 -14.574 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.558 -7.027 -14.643 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.030 -8.509 -16.560 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.137 -6.972 -16.654 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.307 -8.453 -16.117 1.00 0.00 H new ATOM 175 N SER A 14 -12.204 -9.028 -12.742 1.00 0.00 N ATOM 176 CA SER A 14 -12.342 -10.217 -11.912 1.00 0.00 C ATOM 177 C SER A 14 -13.359 -10.001 -10.790 1.00 0.00 C ATOM 178 O SER A 14 -13.524 -10.860 -9.925 1.00 0.00 O ATOM 179 CB SER A 14 -10.989 -10.614 -11.320 1.00 0.00 C ATOM 180 OG SER A 14 -10.403 -11.675 -12.054 1.00 0.00 O ATOM 0 H SER A 14 -11.573 -8.322 -12.363 1.00 0.00 H new ATOM 0 HA SER A 14 -12.706 -11.024 -12.549 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.321 -9.753 -11.323 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.118 -10.914 -10.280 1.00 0.00 H new ATOM 0 HG SER A 14 -9.904 -11.310 -12.815 1.00 0.00 H new ATOM 186 N ALA A 15 -14.050 -8.861 -10.815 1.00 0.00 N ATOM 187 CA ALA A 15 -15.052 -8.564 -9.804 1.00 0.00 C ATOM 188 C ALA A 15 -16.276 -7.891 -10.428 1.00 0.00 C ATOM 189 O ALA A 15 -16.173 -7.246 -11.472 1.00 0.00 O ATOM 190 CB ALA A 15 -14.452 -7.689 -8.722 1.00 0.00 C ATOM 0 H ALA A 15 -13.932 -8.135 -11.522 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.381 -9.501 -9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.209 -7.471 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.615 -8.209 -8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.099 -6.756 -9.162 1.00 0.00 H new ATOM 196 N PRO A 16 -17.460 -8.044 -9.797 1.00 0.00 N ATOM 197 CA PRO A 16 -18.711 -7.464 -10.292 1.00 0.00 C ATOM 198 C PRO A 16 -18.551 -6.020 -10.766 1.00 0.00 C ATOM 199 O PRO A 16 -17.486 -5.420 -10.623 1.00 0.00 O ATOM 200 CB PRO A 16 -19.658 -7.522 -9.084 1.00 0.00 C ATOM 201 CG PRO A 16 -18.915 -8.206 -7.976 1.00 0.00 C ATOM 202 CD PRO A 16 -17.670 -8.812 -8.566 1.00 0.00 C ATOM 0 HA PRO A 16 -19.076 -8.010 -11.162 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.961 -6.519 -8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.568 -8.069 -9.333 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.659 -7.494 -7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.535 -8.976 -7.518 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.821 -8.722 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.801 -9.874 -8.774 1.00 0.00 H new ATOM 210 N PRO A 17 -19.621 -5.439 -11.344 1.00 0.00 N ATOM 211 CA PRO A 17 -19.599 -4.063 -11.842 1.00 0.00 C ATOM 212 C PRO A 17 -19.036 -3.079 -10.820 1.00 0.00 C ATOM 213 O PRO A 17 -17.960 -2.532 -11.019 1.00 0.00 O ATOM 214 CB PRO A 17 -21.068 -3.759 -12.134 1.00 0.00 C ATOM 215 CG PRO A 17 -21.690 -5.087 -12.394 1.00 0.00 C ATOM 216 CD PRO A 17 -20.933 -6.082 -11.552 1.00 0.00 C ATOM 0 HA PRO A 17 -18.952 -3.960 -12.714 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.543 -3.259 -11.290 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.171 -3.099 -12.995 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.747 -5.079 -12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.627 -5.345 -13.451 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.440 -6.273 -10.606 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.833 -7.041 -12.059 1.00 0.00 H new ATOM 224 N GLN A 18 -19.770 -2.854 -9.734 1.00 0.00 N ATOM 225 CA GLN A 18 -19.332 -1.921 -8.695 1.00 0.00 C ATOM 226 C GLN A 18 -18.116 -2.445 -7.939 1.00 0.00 C ATOM 227 O GLN A 18 -17.501 -1.715 -7.165 1.00 0.00 O ATOM 228 CB GLN A 18 -20.471 -1.613 -7.713 1.00 0.00 C ATOM 229 CG GLN A 18 -21.412 -2.784 -7.467 1.00 0.00 C ATOM 230 CD GLN A 18 -21.921 -2.836 -6.039 1.00 0.00 C ATOM 231 OE1 GLN A 18 -21.267 -3.387 -5.154 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.096 -2.261 -5.808 1.00 0.00 N ATOM 0 H GLN A 18 -20.668 -3.302 -9.549 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.044 -0.998 -9.198 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -20.041 -1.300 -6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.048 -0.771 -8.095 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -22.260 -2.713 -8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.895 -3.715 -7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.605 -1.815 -6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.490 -2.265 -4.867 1.00 0.00 H new ATOM 241 N GLU A 19 -17.742 -3.694 -8.176 1.00 0.00 N ATOM 242 CA GLU A 19 -16.570 -4.252 -7.520 1.00 0.00 C ATOM 243 C GLU A 19 -15.364 -4.089 -8.431 1.00 0.00 C ATOM 244 O GLU A 19 -14.495 -4.956 -8.498 1.00 0.00 O ATOM 245 CB GLU A 19 -16.786 -5.725 -7.168 1.00 0.00 C ATOM 246 CG GLU A 19 -17.410 -5.937 -5.798 1.00 0.00 C ATOM 247 CD GLU A 19 -17.036 -7.271 -5.183 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.915 -7.382 -4.643 1.00 0.00 O ATOM 249 OE2 GLU A 19 -17.864 -8.205 -5.238 1.00 0.00 O ATOM 0 H GLU A 19 -18.225 -4.332 -8.808 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.395 -3.715 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.425 -6.181 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.828 -6.244 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.095 -5.134 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.495 -5.873 -5.884 1.00 0.00 H new ATOM 256 N GLN A 20 -15.292 -2.937 -9.091 1.00 0.00 N ATOM 257 CA GLN A 20 -14.161 -2.624 -9.955 1.00 0.00 C ATOM 258 C GLN A 20 -12.912 -2.375 -9.113 1.00 0.00 C ATOM 259 O GLN A 20 -12.114 -3.279 -8.861 1.00 0.00 O ATOM 260 CB GLN A 20 -14.438 -1.413 -10.880 1.00 0.00 C ATOM 261 CG GLN A 20 -15.811 -0.769 -10.720 1.00 0.00 C ATOM 262 CD GLN A 20 -15.947 0.055 -9.453 1.00 0.00 C ATOM 263 OE1 GLN A 20 -16.926 -0.075 -8.721 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.981 0.920 -9.197 1.00 0.00 N ATOM 0 H GLN A 20 -16.002 -2.207 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.999 -3.487 -10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.676 -0.655 -10.696 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.325 -1.735 -11.915 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.008 -0.131 -11.582 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.572 -1.549 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.185 0.997 -9.830 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.032 1.510 -8.367 1.00 0.00 H new ATOM 273 N LYS A 21 -12.777 -1.128 -8.674 1.00 0.00 N ATOM 274 CA LYS A 21 -11.658 -0.686 -7.846 1.00 0.00 C ATOM 275 C LYS A 21 -11.856 -1.085 -6.385 1.00 0.00 C ATOM 276 O LYS A 21 -11.181 -0.563 -5.499 1.00 0.00 O ATOM 277 CB LYS A 21 -11.504 0.833 -7.953 1.00 0.00 C ATOM 278 CG LYS A 21 -11.912 1.384 -9.309 1.00 0.00 C ATOM 279 CD LYS A 21 -10.745 2.040 -10.030 1.00 0.00 C ATOM 280 CE LYS A 21 -10.035 1.062 -10.953 1.00 0.00 C ATOM 281 NZ LYS A 21 -9.723 1.673 -12.274 1.00 0.00 N ATOM 0 H LYS A 21 -13.447 -0.388 -8.884 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.753 -1.174 -8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.107 1.308 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.466 1.101 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.311 0.577 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.713 2.111 -9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.106 2.890 -10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.037 2.430 -9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.112 0.723 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.660 0.181 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.240 0.975 -12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.606 1.973 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.105 2.499 -12.137 1.00 0.00 H new ATOM 295 N GLN A 22 -12.784 -2.003 -6.136 1.00 0.00 N ATOM 296 CA GLN A 22 -13.071 -2.447 -4.772 1.00 0.00 C ATOM 297 C GLN A 22 -11.881 -3.161 -4.150 1.00 0.00 C ATOM 298 O GLN A 22 -11.369 -2.732 -3.115 1.00 0.00 O ATOM 299 CB GLN A 22 -14.312 -3.345 -4.736 1.00 0.00 C ATOM 300 CG GLN A 22 -15.587 -2.587 -4.402 1.00 0.00 C ATOM 301 CD GLN A 22 -16.529 -3.373 -3.510 1.00 0.00 C ATOM 302 OE1 GLN A 22 -16.117 -3.938 -2.497 1.00 0.00 O ATOM 303 NE2 GLN A 22 -17.805 -3.410 -3.880 1.00 0.00 N ATOM 0 H GLN A 22 -13.349 -2.454 -6.856 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.271 -1.555 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.429 -3.832 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.161 -4.133 -3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.327 -1.650 -3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.102 -2.329 -5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -18.104 -2.928 -4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.485 -3.921 -3.317 1.00 0.00 H new ATOM 312 N MET A 23 -11.435 -4.247 -4.769 1.00 0.00 N ATOM 313 CA MET A 23 -10.302 -4.991 -4.245 1.00 0.00 C ATOM 314 C MET A 23 -9.043 -4.117 -4.246 1.00 0.00 C ATOM 315 O MET A 23 -8.798 -3.387 -3.290 1.00 0.00 O ATOM 316 CB MET A 23 -10.087 -6.284 -5.046 1.00 0.00 C ATOM 317 CG MET A 23 -11.367 -7.073 -5.283 1.00 0.00 C ATOM 318 SD MET A 23 -11.475 -8.554 -4.258 1.00 0.00 S ATOM 319 CE MET A 23 -12.747 -8.072 -3.090 1.00 0.00 C ATOM 0 H MET A 23 -11.837 -4.627 -5.626 1.00 0.00 H new ATOM 0 HA MET A 23 -10.514 -5.272 -3.214 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.640 -6.035 -6.008 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.373 -6.915 -4.516 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.226 -6.433 -5.080 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.423 -7.359 -6.333 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.695 -8.714 -2.210 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.593 -7.035 -2.792 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.727 -8.174 -3.556 1.00 0.00 H new ATOM 329 N LEU A 24 -8.256 -4.185 -5.319 1.00 0.00 N ATOM 330 CA LEU A 24 -7.030 -3.386 -5.434 1.00 0.00 C ATOM 331 C LEU A 24 -7.327 -1.882 -5.451 1.00 0.00 C ATOM 332 O LEU A 24 -6.993 -1.211 -6.426 1.00 0.00 O ATOM 333 CB LEU A 24 -6.237 -3.760 -6.707 1.00 0.00 C ATOM 334 CG LEU A 24 -6.815 -4.877 -7.574 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.959 -4.349 -8.427 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.725 -5.469 -8.449 1.00 0.00 C ATOM 0 H LEU A 24 -8.443 -4.784 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.429 -3.613 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.142 -2.866 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.230 -4.049 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.207 -5.661 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.360 -5.157 -9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.745 -3.959 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.593 -3.552 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.145 -6.265 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.313 -4.692 -9.092 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.934 -5.876 -7.819 1.00 0.00 H new ATOM 348 N GLY A 25 -7.947 -1.345 -4.387 1.00 0.00 N ATOM 349 CA GLY A 25 -8.263 0.081 -4.349 1.00 0.00 C ATOM 350 C GLY A 25 -8.388 0.697 -5.734 1.00 0.00 C ATOM 351 O GLY A 25 -8.931 0.074 -6.647 1.00 0.00 O ATOM 0 H GLY A 25 -8.232 -1.870 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.197 0.227 -3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.486 0.605 -3.792 1.00 0.00 H new ATOM 355 N GLU A 26 -7.871 1.907 -5.896 1.00 0.00 N ATOM 356 CA GLU A 26 -7.906 2.583 -7.189 1.00 0.00 C ATOM 357 C GLU A 26 -6.886 1.963 -8.138 1.00 0.00 C ATOM 358 O GLU A 26 -7.203 1.084 -8.939 1.00 0.00 O ATOM 359 CB GLU A 26 -7.640 4.095 -7.056 1.00 0.00 C ATOM 360 CG GLU A 26 -7.074 4.513 -5.711 1.00 0.00 C ATOM 361 CD GLU A 26 -8.142 4.602 -4.645 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.449 3.561 -4.029 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.671 5.712 -4.424 1.00 0.00 O ATOM 0 H GLU A 26 -7.423 2.441 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.909 2.454 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.947 4.401 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.572 4.633 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.312 3.798 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.581 5.480 -5.811 1.00 0.00 H new ATOM 370 N ARG A 27 -5.657 2.465 -8.044 1.00 0.00 N ATOM 371 CA ARG A 27 -4.564 2.011 -8.891 1.00 0.00 C ATOM 372 C ARG A 27 -3.257 1.899 -8.116 1.00 0.00 C ATOM 373 O ARG A 27 -2.209 1.676 -8.713 1.00 0.00 O ATOM 374 CB ARG A 27 -4.371 2.995 -10.048 1.00 0.00 C ATOM 375 CG ARG A 27 -4.578 2.380 -11.422 1.00 0.00 C ATOM 376 CD ARG A 27 -6.055 2.236 -11.754 1.00 0.00 C ATOM 377 NE ARG A 27 -6.332 2.546 -13.154 1.00 0.00 N ATOM 378 CZ ARG A 27 -5.982 1.760 -14.168 1.00 0.00 C ATOM 379 NH1 ARG A 27 -5.371 0.604 -13.941 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.251 2.130 -15.413 1.00 0.00 N ATOM 0 H ARG A 27 -5.394 3.194 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.825 1.022 -9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.065 3.826 -9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.365 3.410 -9.995 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.094 3.001 -12.176 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.099 1.402 -11.459 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.378 1.218 -11.537 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.637 2.899 -11.114 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.822 3.415 -13.366 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.167 0.314 -12.985 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.105 0.006 -14.723 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.725 3.015 -15.591 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.984 1.529 -16.193 1.00 0.00 H new ATOM 394 N LEU A 28 -3.310 2.059 -6.799 1.00 0.00 N ATOM 395 CA LEU A 28 -2.101 1.986 -5.985 1.00 0.00 C ATOM 396 C LEU A 28 -1.611 0.558 -5.802 1.00 0.00 C ATOM 397 O LEU A 28 -0.431 0.284 -6.014 1.00 0.00 O ATOM 398 CB LEU A 28 -2.326 2.638 -4.627 1.00 0.00 C ATOM 399 CG LEU A 28 -2.462 4.156 -4.677 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.314 4.655 -3.524 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.094 4.821 -4.666 1.00 0.00 C ATOM 0 H LEU A 28 -4.167 2.238 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.326 2.532 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.227 2.218 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.495 2.380 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.960 4.424 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.399 5.740 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.307 4.210 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.849 4.374 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.215 5.904 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.563 4.546 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.522 4.491 -5.533 1.00 0.00 H new ATOM 413 N PHE A 29 -2.509 -0.354 -5.427 1.00 0.00 N ATOM 414 CA PHE A 29 -2.125 -1.752 -5.241 1.00 0.00 C ATOM 415 C PHE A 29 -1.254 -2.217 -6.408 1.00 0.00 C ATOM 416 O PHE A 29 -0.180 -2.779 -6.205 1.00 0.00 O ATOM 417 CB PHE A 29 -3.364 -2.641 -5.099 1.00 0.00 C ATOM 418 CG PHE A 29 -3.168 -3.877 -4.252 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.097 -4.004 -3.368 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.068 -4.929 -4.350 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.944 -5.159 -2.616 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.912 -6.075 -3.602 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.849 -6.193 -2.735 1.00 0.00 C ATOM 0 H PHE A 29 -3.493 -0.153 -5.249 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.546 -1.835 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.171 -2.048 -4.669 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.689 -2.948 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.384 -3.199 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.907 -4.847 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.112 -5.249 -1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.624 -6.882 -3.696 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.724 -7.092 -2.150 1.00 0.00 H new ATOM 433 N PRO A 30 -1.701 -1.956 -7.651 1.00 0.00 N ATOM 434 CA PRO A 30 -0.950 -2.320 -8.857 1.00 0.00 C ATOM 435 C PRO A 30 0.478 -1.769 -8.835 1.00 0.00 C ATOM 436 O PRO A 30 1.439 -2.479 -9.134 1.00 0.00 O ATOM 437 CB PRO A 30 -1.742 -1.650 -9.991 1.00 0.00 C ATOM 438 CG PRO A 30 -3.115 -1.452 -9.451 1.00 0.00 C ATOM 439 CD PRO A 30 -2.966 -1.268 -7.970 1.00 0.00 C ATOM 0 HA PRO A 30 -0.852 -3.401 -8.959 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.291 -0.700 -10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.757 -2.276 -10.883 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.589 -0.581 -9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.747 -2.311 -9.674 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.925 -0.213 -7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.805 -1.703 -7.427 1.00 0.00 H new ATOM 447 N LEU A 31 0.596 -0.485 -8.501 1.00 0.00 N ATOM 448 CA LEU A 31 1.896 0.196 -8.461 1.00 0.00 C ATOM 449 C LEU A 31 2.761 -0.307 -7.309 1.00 0.00 C ATOM 450 O LEU A 31 3.955 -0.582 -7.475 1.00 0.00 O ATOM 451 CB LEU A 31 1.702 1.712 -8.337 1.00 0.00 C ATOM 452 CG LEU A 31 0.426 2.253 -8.985 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.292 3.746 -8.791 1.00 0.00 C ATOM 454 CD2 LEU A 31 0.391 1.895 -10.462 1.00 0.00 C ATOM 0 H LEU A 31 -0.195 0.110 -8.253 1.00 0.00 H new ATOM 0 HA LEU A 31 2.410 -0.029 -9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.696 1.978 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.560 2.211 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.425 1.784 -8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.626 4.094 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.259 3.973 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.147 4.250 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.522 2.286 -10.910 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.256 2.330 -10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.414 0.811 -10.574 1.00 0.00 H new ATOM 466 N ILE A 32 2.153 -0.444 -6.147 1.00 0.00 N ATOM 467 CA ILE A 32 2.877 -0.924 -4.989 1.00 0.00 C ATOM 468 C ILE A 32 3.266 -2.372 -5.198 1.00 0.00 C ATOM 469 O ILE A 32 4.377 -2.771 -4.874 1.00 0.00 O ATOM 470 CB ILE A 32 2.055 -0.798 -3.702 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.860 -1.312 -2.511 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.755 -1.563 -3.846 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.775 -0.282 -1.908 1.00 0.00 C ATOM 0 H ILE A 32 1.169 -0.232 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 32 3.767 -0.305 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 32 1.821 0.252 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.171 -1.666 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.453 -2.170 -2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.175 -1.470 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.183 -1.155 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.971 -2.615 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.313 -0.721 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.489 0.055 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.187 0.567 -1.559 1.00 0.00 H new ATOM 485 N GLN A 33 2.355 -3.156 -5.767 1.00 0.00 N ATOM 486 CA GLN A 33 2.640 -4.555 -6.038 1.00 0.00 C ATOM 487 C GLN A 33 4.022 -4.668 -6.681 1.00 0.00 C ATOM 488 O GLN A 33 4.816 -5.544 -6.341 1.00 0.00 O ATOM 489 CB GLN A 33 1.578 -5.154 -6.968 1.00 0.00 C ATOM 490 CG GLN A 33 1.000 -6.470 -6.470 1.00 0.00 C ATOM 491 CD GLN A 33 1.619 -7.674 -7.152 1.00 0.00 C ATOM 492 OE1 GLN A 33 2.165 -7.568 -8.250 1.00 0.00 O ATOM 493 NE2 GLN A 33 1.535 -8.830 -6.504 1.00 0.00 N ATOM 0 H GLN A 33 1.424 -2.848 -6.046 1.00 0.00 H new ATOM 0 HA GLN A 33 2.623 -5.111 -5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.768 -4.435 -7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.017 -5.310 -7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.156 -6.547 -5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.077 -6.476 -6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.073 -8.873 -5.595 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.932 -9.675 -6.915 1.00 0.00 H new ATOM 502 N ALA A 34 4.283 -3.756 -7.617 1.00 0.00 N ATOM 503 CA ALA A 34 5.554 -3.714 -8.333 1.00 0.00 C ATOM 504 C ALA A 34 6.727 -3.485 -7.390 1.00 0.00 C ATOM 505 O ALA A 34 7.836 -3.967 -7.628 1.00 0.00 O ATOM 506 CB ALA A 34 5.515 -2.634 -9.405 1.00 0.00 C ATOM 0 H ALA A 34 3.623 -3.031 -7.898 1.00 0.00 H new ATOM 0 HA ALA A 34 5.701 -4.685 -8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.468 -2.611 -9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.714 -2.851 -10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.335 -1.665 -8.939 1.00 0.00 H new ATOM 512 N MET A 35 6.475 -2.738 -6.331 1.00 0.00 N ATOM 513 CA MET A 35 7.515 -2.427 -5.344 1.00 0.00 C ATOM 514 C MET A 35 7.408 -3.331 -4.111 1.00 0.00 C ATOM 515 O MET A 35 8.351 -4.045 -3.771 1.00 0.00 O ATOM 516 CB MET A 35 7.424 -0.961 -4.924 1.00 0.00 C ATOM 517 CG MET A 35 7.457 0.007 -6.096 1.00 0.00 C ATOM 518 SD MET A 35 7.475 1.734 -5.576 1.00 0.00 S ATOM 519 CE MET A 35 9.224 1.988 -5.291 1.00 0.00 C ATOM 0 H MET A 35 5.563 -2.331 -6.125 1.00 0.00 H new ATOM 0 HA MET A 35 8.482 -2.609 -5.813 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.502 -0.808 -4.362 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.250 -0.732 -4.250 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.340 -0.194 -6.703 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.588 -0.168 -6.730 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.394 3.014 -4.963 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.571 1.299 -4.521 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.773 1.807 -6.215 1.00 0.00 H new ATOM 529 N HIS A 36 6.243 -3.317 -3.470 1.00 0.00 N ATOM 530 CA HIS A 36 5.989 -4.156 -2.300 1.00 0.00 C ATOM 531 C HIS A 36 6.927 -3.854 -1.134 1.00 0.00 C ATOM 532 O HIS A 36 7.413 -4.771 -0.470 1.00 0.00 O ATOM 533 CB HIS A 36 6.108 -5.632 -2.675 1.00 0.00 C ATOM 534 CG HIS A 36 4.806 -6.253 -3.062 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.548 -5.772 -2.983 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.696 -7.519 -3.594 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.705 -6.745 -3.462 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.425 -7.790 -3.827 1.00 0.00 N flip ATOM 0 H HIS A 36 5.454 -2.730 -3.742 1.00 0.00 H new ATOM 0 HA HIS A 36 4.975 -3.928 -1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.810 -5.733 -3.502 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.527 -6.181 -1.832 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.522 -8.187 -3.790 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.630 -6.668 -3.529 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.062 -8.658 -4.221 1.00 0.00 H new ATOM 546 N PRO A 37 7.180 -2.574 -0.837 1.00 0.00 N ATOM 547 CA PRO A 37 8.039 -2.206 0.279 1.00 0.00 C ATOM 548 C PRO A 37 7.503 -2.771 1.593 1.00 0.00 C ATOM 549 O PRO A 37 8.050 -3.732 2.133 1.00 0.00 O ATOM 550 CB PRO A 37 8.002 -0.671 0.287 1.00 0.00 C ATOM 551 CG PRO A 37 6.817 -0.297 -0.537 1.00 0.00 C ATOM 552 CD PRO A 37 6.637 -1.406 -1.534 1.00 0.00 C ATOM 0 HA PRO A 37 9.050 -2.601 0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.911 -0.286 1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.918 -0.254 -0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.929 -0.184 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.977 0.657 -1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.588 -1.545 -1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.174 -1.205 -2.461 1.00 0.00 H new ATOM 560 N THR A 38 6.445 -2.156 2.112 1.00 0.00 N ATOM 561 CA THR A 38 5.855 -2.587 3.381 1.00 0.00 C ATOM 562 C THR A 38 4.675 -3.539 3.176 1.00 0.00 C ATOM 563 O THR A 38 4.696 -4.674 3.654 1.00 0.00 O ATOM 564 CB THR A 38 5.420 -1.372 4.222 1.00 0.00 C ATOM 565 OG1 THR A 38 4.387 -1.727 5.126 1.00 0.00 O ATOM 566 CG2 THR A 38 4.921 -0.190 3.407 1.00 0.00 C ATOM 0 H THR A 38 5.978 -1.360 1.678 1.00 0.00 H new ATOM 0 HA THR A 38 6.628 -3.134 3.921 1.00 0.00 H new ATOM 0 HB THR A 38 6.327 -1.066 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.127 -0.941 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.636 0.620 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.712 0.152 2.740 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.056 -0.494 2.817 1.00 0.00 H new ATOM 574 N LEU A 39 3.643 -3.072 2.482 1.00 0.00 N ATOM 575 CA LEU A 39 2.455 -3.886 2.234 1.00 0.00 C ATOM 576 C LEU A 39 1.560 -3.225 1.196 1.00 0.00 C ATOM 577 O LEU A 39 0.909 -2.225 1.477 1.00 0.00 O ATOM 578 CB LEU A 39 1.670 -4.087 3.534 1.00 0.00 C ATOM 579 CG LEU A 39 1.776 -5.480 4.154 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.138 -5.493 5.535 1.00 0.00 C ATOM 581 CD2 LEU A 39 1.121 -6.516 3.256 1.00 0.00 C ATOM 0 H LEU A 39 3.603 -2.135 2.081 1.00 0.00 H new ATOM 0 HA LEU A 39 2.779 -4.855 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.016 -3.355 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.619 -3.873 3.341 1.00 0.00 H new ATOM 0 HG LEU A 39 2.831 -5.734 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.221 -6.491 5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.649 -4.777 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.086 -5.220 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.207 -7.501 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.068 -6.268 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.618 -6.523 2.286 1.00 0.00 H new ATOM 593 N ALA A 40 1.522 -3.796 0.003 1.00 0.00 N ATOM 594 CA ALA A 40 0.703 -3.269 -1.081 1.00 0.00 C ATOM 595 C ALA A 40 -0.771 -3.148 -0.694 1.00 0.00 C ATOM 596 O ALA A 40 -1.383 -2.103 -0.916 1.00 0.00 O ATOM 597 CB ALA A 40 0.939 -4.113 -2.323 1.00 0.00 C ATOM 0 H ALA A 40 2.053 -4.632 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 40 1.005 -2.245 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.332 -3.730 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.993 -4.068 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.662 -5.147 -2.118 1.00 0.00 H new ATOM 603 N GLY A 41 -1.356 -4.190 -0.120 1.00 0.00 N ATOM 604 CA GLY A 41 -2.756 -4.107 0.264 1.00 0.00 C ATOM 605 C GLY A 41 -3.025 -2.924 1.181 1.00 0.00 C ATOM 606 O GLY A 41 -3.886 -2.090 0.904 1.00 0.00 O ATOM 0 H GLY A 41 -0.898 -5.078 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.373 -4.020 -0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.050 -5.029 0.766 1.00 0.00 H new ATOM 610 N LYS A 42 -2.285 -2.870 2.281 1.00 0.00 N ATOM 611 CA LYS A 42 -2.438 -1.802 3.266 1.00 0.00 C ATOM 612 C LYS A 42 -1.935 -0.455 2.737 1.00 0.00 C ATOM 613 O LYS A 42 -2.523 0.584 3.028 1.00 0.00 O ATOM 614 CB LYS A 42 -1.699 -2.160 4.557 1.00 0.00 C ATOM 615 CG LYS A 42 -2.621 -2.623 5.675 1.00 0.00 C ATOM 616 CD LYS A 42 -2.823 -1.537 6.720 1.00 0.00 C ATOM 617 CE LYS A 42 -4.140 -0.803 6.519 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.103 -1.070 7.625 1.00 0.00 N ATOM 0 H LYS A 42 -1.568 -3.557 2.516 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.504 -1.702 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.974 -2.946 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.136 -1.291 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.586 -2.910 5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.202 -3.511 6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.802 -1.981 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.998 -0.826 6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.951 0.269 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.583 -1.107 5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.629 -0.200 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.769 -1.813 7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.583 -1.383 8.470 1.00 0.00 H new ATOM 632 N ILE A 43 -0.852 -0.470 1.963 1.00 0.00 N ATOM 633 CA ILE A 43 -0.295 0.770 1.415 1.00 0.00 C ATOM 634 C ILE A 43 -1.347 1.529 0.618 1.00 0.00 C ATOM 635 O ILE A 43 -1.502 2.740 0.755 1.00 0.00 O ATOM 636 CB ILE A 43 0.946 0.501 0.518 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.947 1.651 0.627 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.557 0.277 -0.943 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.378 1.178 0.771 1.00 0.00 C ATOM 0 H ILE A 43 -0.345 -1.316 1.702 1.00 0.00 H new ATOM 0 HA ILE A 43 0.023 1.377 2.262 1.00 0.00 H new ATOM 0 HB ILE A 43 1.414 -0.415 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.866 2.281 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.687 2.272 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.454 0.093 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.108 -0.584 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.047 1.162 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.041 2.040 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.472 0.571 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.653 0.581 -0.099 1.00 0.00 H new ATOM 651 N THR A 44 -2.058 0.798 -0.228 1.00 0.00 N ATOM 652 CA THR A 44 -3.086 1.380 -1.072 1.00 0.00 C ATOM 653 C THR A 44 -4.005 2.298 -0.279 1.00 0.00 C ATOM 654 O THR A 44 -4.242 3.435 -0.670 1.00 0.00 O ATOM 655 CB THR A 44 -3.900 0.273 -1.744 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.044 -0.681 -2.346 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.837 0.783 -2.814 1.00 0.00 C ATOM 0 H THR A 44 -1.938 -0.208 -0.347 1.00 0.00 H new ATOM 0 HA THR A 44 -2.593 1.981 -1.836 1.00 0.00 H new ATOM 0 HB THR A 44 -4.494 -0.173 -0.946 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.803 -1.366 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.383 -0.054 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.543 1.487 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.262 1.285 -3.592 1.00 0.00 H new ATOM 665 N GLY A 45 -4.513 1.812 0.844 1.00 0.00 N ATOM 666 CA GLY A 45 -5.397 2.626 1.653 1.00 0.00 C ATOM 667 C GLY A 45 -4.768 3.937 2.068 1.00 0.00 C ATOM 668 O GLY A 45 -5.422 4.980 2.054 1.00 0.00 O ATOM 0 H GLY A 45 -4.331 0.876 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.311 2.827 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.684 2.068 2.544 1.00 0.00 H new ATOM 672 N MET A 46 -3.496 3.891 2.435 1.00 0.00 N ATOM 673 CA MET A 46 -2.785 5.086 2.857 1.00 0.00 C ATOM 674 C MET A 46 -2.527 6.003 1.671 1.00 0.00 C ATOM 675 O MET A 46 -2.888 7.179 1.706 1.00 0.00 O ATOM 676 CB MET A 46 -1.480 4.715 3.558 1.00 0.00 C ATOM 677 CG MET A 46 -1.683 4.204 4.977 1.00 0.00 C ATOM 678 SD MET A 46 -2.529 2.615 5.038 1.00 0.00 S ATOM 679 CE MET A 46 -1.372 1.663 6.021 1.00 0.00 C ATOM 0 H MET A 46 -2.936 3.039 2.449 1.00 0.00 H new ATOM 0 HA MET A 46 -3.409 5.625 3.570 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.967 3.951 2.974 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.828 5.588 3.584 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.713 4.112 5.467 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.258 4.937 5.543 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.982 0.837 5.426 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.548 2.304 6.336 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.881 1.268 6.900 1.00 0.00 H new ATOM 689 N LEU A 47 -1.901 5.479 0.618 1.00 0.00 N ATOM 690 CA LEU A 47 -1.623 6.293 -0.547 1.00 0.00 C ATOM 691 C LEU A 47 -2.919 6.862 -1.106 1.00 0.00 C ATOM 692 O LEU A 47 -2.903 7.849 -1.843 1.00 0.00 O ATOM 693 CB LEU A 47 -0.920 5.465 -1.616 1.00 0.00 C ATOM 694 CG LEU A 47 0.511 5.033 -1.302 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.517 6.048 -1.840 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.733 4.805 0.181 1.00 0.00 C ATOM 0 H LEU A 47 -1.585 4.511 0.554 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.970 7.114 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.515 4.571 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.909 6.040 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 47 0.669 4.079 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.529 5.718 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.406 6.132 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.336 7.019 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.765 4.500 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.533 5.728 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.060 4.023 0.534 1.00 0.00 H new ATOM 708 N LEU A 48 -4.046 6.225 -0.775 1.00 0.00 N ATOM 709 CA LEU A 48 -5.356 6.664 -1.264 1.00 0.00 C ATOM 710 C LEU A 48 -5.723 8.082 -0.807 1.00 0.00 C ATOM 711 O LEU A 48 -6.899 8.443 -0.794 1.00 0.00 O ATOM 712 CB LEU A 48 -6.438 5.676 -0.805 1.00 0.00 C ATOM 713 CG LEU A 48 -7.117 4.905 -1.935 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.201 3.816 -2.469 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.438 4.299 -1.476 1.00 0.00 C ATOM 0 H LEU A 48 -4.077 5.404 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.297 6.686 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.990 4.962 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.199 6.224 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.327 5.613 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.704 3.279 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.285 4.266 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.956 3.121 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.896 3.757 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.256 3.613 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.108 5.093 -1.147 1.00 0.00 H new ATOM 727 N GLU A 49 -4.727 8.884 -0.442 1.00 0.00 N ATOM 728 CA GLU A 49 -4.965 10.249 -0.005 1.00 0.00 C ATOM 729 C GLU A 49 -5.303 11.162 -1.190 1.00 0.00 C ATOM 730 O GLU A 49 -5.684 12.317 -1.001 1.00 0.00 O ATOM 731 CB GLU A 49 -3.723 10.777 0.720 1.00 0.00 C ATOM 732 CG GLU A 49 -4.027 11.812 1.786 1.00 0.00 C ATOM 733 CD GLU A 49 -3.833 13.231 1.289 1.00 0.00 C ATOM 734 OE1 GLU A 49 -2.674 13.694 1.250 1.00 0.00 O ATOM 735 OE2 GLU A 49 -4.842 13.879 0.938 1.00 0.00 O ATOM 0 H GLU A 49 -3.745 8.607 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.818 10.248 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.199 9.939 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.044 11.213 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.055 11.687 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.382 11.641 2.648 1.00 0.00 H new ATOM 742 N ILE A 50 -5.139 10.646 -2.412 1.00 0.00 N ATOM 743 CA ILE A 50 -5.407 11.428 -3.618 1.00 0.00 C ATOM 744 C ILE A 50 -6.670 10.953 -4.369 1.00 0.00 C ATOM 745 O ILE A 50 -7.229 9.900 -4.062 1.00 0.00 O ATOM 746 CB ILE A 50 -4.175 11.419 -4.547 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.011 12.782 -5.215 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.255 10.309 -5.584 1.00 0.00 C ATOM 749 CD1 ILE A 50 -2.637 13.380 -5.019 1.00 0.00 C ATOM 0 H ILE A 50 -4.823 9.693 -2.590 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.605 12.452 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.295 11.219 -3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.208 12.682 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.759 13.467 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.368 10.338 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.310 9.344 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.144 10.448 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.587 14.348 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.446 13.511 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.886 12.713 -5.443 1.00 0.00 H new ATOM 761 N ASP A 51 -7.089 11.739 -5.372 1.00 0.00 N ATOM 762 CA ASP A 51 -8.256 11.422 -6.206 1.00 0.00 C ATOM 763 C ASP A 51 -7.963 10.305 -7.211 1.00 0.00 C ATOM 764 O ASP A 51 -6.867 10.246 -7.767 1.00 0.00 O ATOM 765 CB ASP A 51 -8.724 12.678 -6.945 1.00 0.00 C ATOM 766 CG ASP A 51 -10.215 12.912 -6.799 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.993 11.974 -7.072 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.604 14.034 -6.409 1.00 0.00 O ATOM 0 H ASP A 51 -6.628 12.612 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.045 11.066 -5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.184 13.544 -6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.475 12.588 -8.002 1.00 0.00 H new ATOM 773 N ASN A 52 -8.956 9.440 -7.474 1.00 0.00 N ATOM 774 CA ASN A 52 -8.790 8.349 -8.448 1.00 0.00 C ATOM 775 C ASN A 52 -8.091 8.839 -9.719 1.00 0.00 C ATOM 776 O ASN A 52 -7.441 8.066 -10.417 1.00 0.00 O ATOM 777 CB ASN A 52 -10.152 7.740 -8.829 1.00 0.00 C ATOM 778 CG ASN A 52 -10.017 6.565 -9.792 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.720 5.471 -9.503 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -9.302 6.641 -10.789 1.00 0.00 N flip ATOM 0 H ASN A 52 -9.874 9.474 -7.031 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.172 7.588 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.664 7.408 -7.926 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.776 8.509 -9.284 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.778 7.496 -10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.232 5.849 -11.428 1.00 0.00 H new ATOM 787 N SER A 53 -8.252 10.121 -10.029 1.00 0.00 N ATOM 788 CA SER A 53 -7.666 10.699 -11.238 1.00 0.00 C ATOM 789 C SER A 53 -6.143 10.806 -11.156 1.00 0.00 C ATOM 790 O SER A 53 -5.456 10.771 -12.178 1.00 0.00 O ATOM 791 CB SER A 53 -8.269 12.080 -11.505 1.00 0.00 C ATOM 792 OG SER A 53 -9.527 11.971 -12.149 1.00 0.00 O ATOM 0 H SER A 53 -8.783 10.781 -9.461 1.00 0.00 H new ATOM 0 HA SER A 53 -7.901 10.025 -12.062 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.384 12.618 -10.564 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.589 12.664 -12.125 1.00 0.00 H new ATOM 0 HG SER A 53 -9.892 12.867 -12.307 1.00 0.00 H new ATOM 798 N GLU A 54 -5.616 10.944 -9.948 1.00 0.00 N ATOM 799 CA GLU A 54 -4.175 11.068 -9.768 1.00 0.00 C ATOM 800 C GLU A 54 -3.492 9.704 -9.759 1.00 0.00 C ATOM 801 O GLU A 54 -2.436 9.528 -10.365 1.00 0.00 O ATOM 802 CB GLU A 54 -3.866 11.825 -8.481 1.00 0.00 C ATOM 803 CG GLU A 54 -3.720 13.325 -8.686 1.00 0.00 C ATOM 804 CD GLU A 54 -2.277 13.752 -8.876 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.380 12.892 -8.753 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.044 14.948 -9.151 1.00 0.00 O ATOM 0 H GLU A 54 -6.158 10.973 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.781 11.630 -10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.661 11.640 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.945 11.433 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.302 13.627 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.139 13.848 -7.826 1.00 0.00 H new ATOM 813 N LEU A 55 -4.098 8.741 -9.077 1.00 0.00 N ATOM 814 CA LEU A 55 -3.538 7.397 -9.008 1.00 0.00 C ATOM 815 C LEU A 55 -3.437 6.795 -10.401 1.00 0.00 C ATOM 816 O LEU A 55 -2.539 6.001 -10.682 1.00 0.00 O ATOM 817 CB LEU A 55 -4.382 6.526 -8.083 1.00 0.00 C ATOM 818 CG LEU A 55 -4.790 7.224 -6.784 1.00 0.00 C ATOM 819 CD1 LEU A 55 -6.291 7.423 -6.737 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.311 6.446 -5.571 1.00 0.00 C ATOM 0 H LEU A 55 -4.972 8.864 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.530 7.449 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.281 6.212 -8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.823 5.622 -7.840 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.312 8.203 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.563 7.921 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.603 8.037 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.788 6.454 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.615 6.965 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.749 5.448 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.224 6.365 -5.596 1.00 0.00 H new ATOM 832 N LEU A 56 -4.343 7.206 -11.284 1.00 0.00 N ATOM 833 CA LEU A 56 -4.326 6.735 -12.660 1.00 0.00 C ATOM 834 C LEU A 56 -3.092 7.283 -13.368 1.00 0.00 C ATOM 835 O LEU A 56 -2.394 6.563 -14.081 1.00 0.00 O ATOM 836 CB LEU A 56 -5.596 7.171 -13.395 1.00 0.00 C ATOM 837 CG LEU A 56 -6.642 6.074 -13.598 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.187 5.597 -12.258 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.771 6.574 -14.489 1.00 0.00 C ATOM 0 H LEU A 56 -5.094 7.862 -11.070 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.290 5.646 -12.662 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.055 7.989 -12.840 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.314 7.566 -14.371 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.163 5.228 -14.091 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.930 4.817 -12.424 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.371 5.199 -11.654 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.651 6.434 -11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.507 5.781 -14.623 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.248 7.436 -14.023 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.368 6.863 -15.460 1.00 0.00 H new ATOM 851 N HIS A 57 -2.833 8.574 -13.158 1.00 0.00 N ATOM 852 CA HIS A 57 -1.682 9.239 -13.766 1.00 0.00 C ATOM 853 C HIS A 57 -0.389 8.526 -13.387 1.00 0.00 C ATOM 854 O HIS A 57 0.529 8.413 -14.200 1.00 0.00 O ATOM 855 CB HIS A 57 -1.612 10.700 -13.317 1.00 0.00 C ATOM 856 CG HIS A 57 -2.392 11.639 -14.184 1.00 0.00 C ATOM 857 ND1 HIS A 57 -2.324 11.627 -15.560 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.258 12.627 -13.860 1.00 0.00 C ATOM 859 CE1 HIS A 57 -3.113 12.568 -16.047 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.691 13.189 -15.036 1.00 0.00 N ATOM 0 H HIS A 57 -3.406 9.180 -12.571 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.802 9.203 -14.849 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.981 10.774 -12.294 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.569 11.016 -13.303 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.553 12.919 -12.863 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.260 12.791 -17.093 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.352 13.961 -15.115 1.00 0.00 H new ATOM 868 N MET A 58 -0.325 8.044 -12.151 1.00 0.00 N ATOM 869 CA MET A 58 0.854 7.334 -11.664 1.00 0.00 C ATOM 870 C MET A 58 1.132 6.113 -12.534 1.00 0.00 C ATOM 871 O MET A 58 2.258 5.892 -12.980 1.00 0.00 O ATOM 872 CB MET A 58 0.643 6.903 -10.210 1.00 0.00 C ATOM 873 CG MET A 58 0.409 8.063 -9.253 1.00 0.00 C ATOM 874 SD MET A 58 -0.086 7.517 -7.606 1.00 0.00 S ATOM 875 CE MET A 58 -1.286 8.776 -7.173 1.00 0.00 C ATOM 0 H MET A 58 -1.076 8.132 -11.467 1.00 0.00 H new ATOM 0 HA MET A 58 1.712 8.004 -11.715 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.210 6.227 -10.162 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.515 6.340 -9.877 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.321 8.655 -9.176 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.362 8.716 -9.662 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.967 9.285 -6.263 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.364 9.499 -7.985 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.258 8.311 -7.007 1.00 0.00 H new ATOM 885 N LEU A 59 0.091 5.322 -12.753 1.00 0.00 N ATOM 886 CA LEU A 59 0.196 4.107 -13.554 1.00 0.00 C ATOM 887 C LEU A 59 0.633 4.427 -14.987 1.00 0.00 C ATOM 888 O LEU A 59 1.226 3.585 -15.662 1.00 0.00 O ATOM 889 CB LEU A 59 -1.149 3.368 -13.543 1.00 0.00 C ATOM 890 CG LEU A 59 -1.420 2.453 -14.736 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.213 1.231 -14.303 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.163 3.216 -15.818 1.00 0.00 C ATOM 0 H LEU A 59 -0.843 5.501 -12.385 1.00 0.00 H new ATOM 0 HA LEU A 59 0.959 3.462 -13.118 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.206 2.771 -12.633 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.947 4.108 -13.489 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.466 2.113 -15.140 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.396 0.591 -15.166 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.647 0.677 -13.554 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.165 1.547 -13.877 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.352 2.556 -16.664 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.112 3.578 -15.422 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.560 4.063 -16.146 1.00 0.00 H new ATOM 904 N GLU A 60 0.353 5.646 -15.443 1.00 0.00 N ATOM 905 CA GLU A 60 0.736 6.066 -16.789 1.00 0.00 C ATOM 906 C GLU A 60 2.008 6.915 -16.765 1.00 0.00 C ATOM 907 O GLU A 60 2.604 7.181 -17.808 1.00 0.00 O ATOM 908 CB GLU A 60 -0.395 6.861 -17.445 1.00 0.00 C ATOM 909 CG GLU A 60 -1.521 5.989 -17.974 1.00 0.00 C ATOM 910 CD GLU A 60 -1.510 5.867 -19.485 1.00 0.00 C ATOM 911 OE1 GLU A 60 -0.924 6.746 -20.151 1.00 0.00 O ATOM 912 OE2 GLU A 60 -2.087 4.888 -20.004 1.00 0.00 O ATOM 0 H GLU A 60 -0.136 6.359 -14.902 1.00 0.00 H new ATOM 0 HA GLU A 60 0.930 5.165 -17.371 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.802 7.565 -16.719 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.014 7.450 -18.266 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.442 4.995 -17.533 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.477 6.404 -17.655 1.00 0.00 H new ATOM 919 N SER A 61 2.417 7.340 -15.572 1.00 0.00 N ATOM 920 CA SER A 61 3.616 8.158 -15.424 1.00 0.00 C ATOM 921 C SER A 61 4.445 7.699 -14.226 1.00 0.00 C ATOM 922 O SER A 61 4.165 8.075 -13.089 1.00 0.00 O ATOM 923 CB SER A 61 3.232 9.629 -15.255 1.00 0.00 C ATOM 924 OG SER A 61 3.064 10.263 -16.511 1.00 0.00 O ATOM 0 H SER A 61 1.937 7.132 -14.697 1.00 0.00 H new ATOM 0 HA SER A 61 4.218 8.044 -16.325 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.308 9.703 -14.681 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.004 10.146 -14.684 1.00 0.00 H new ATOM 0 HG SER A 61 2.817 11.201 -16.373 1.00 0.00 H new ATOM 930 N PRO A 62 5.482 6.875 -14.465 1.00 0.00 N ATOM 931 CA PRO A 62 6.347 6.369 -13.395 1.00 0.00 C ATOM 932 C PRO A 62 6.900 7.486 -12.516 1.00 0.00 C ATOM 933 O PRO A 62 7.173 7.278 -11.333 1.00 0.00 O ATOM 934 CB PRO A 62 7.481 5.672 -14.151 1.00 0.00 C ATOM 935 CG PRO A 62 6.887 5.295 -15.463 1.00 0.00 C ATOM 936 CD PRO A 62 5.891 6.373 -15.792 1.00 0.00 C ATOM 0 HA PRO A 62 5.806 5.713 -12.713 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.337 6.335 -14.280 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.836 4.795 -13.611 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.655 5.225 -16.233 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.403 4.320 -15.406 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.337 7.160 -16.400 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.043 5.979 -16.352 1.00 0.00 H new ATOM 944 N GLU A 63 7.072 8.670 -13.098 1.00 0.00 N ATOM 945 CA GLU A 63 7.603 9.810 -12.357 1.00 0.00 C ATOM 946 C GLU A 63 6.705 10.166 -11.174 1.00 0.00 C ATOM 947 O GLU A 63 7.160 10.187 -10.030 1.00 0.00 O ATOM 948 CB GLU A 63 7.776 11.023 -13.277 1.00 0.00 C ATOM 949 CG GLU A 63 6.621 11.249 -14.240 1.00 0.00 C ATOM 950 CD GLU A 63 5.947 12.591 -14.033 1.00 0.00 C ATOM 951 OE1 GLU A 63 4.994 12.662 -13.228 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.374 13.575 -14.673 1.00 0.00 O ATOM 0 H GLU A 63 6.853 8.864 -14.075 1.00 0.00 H new ATOM 0 HA GLU A 63 8.581 9.526 -11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.901 11.915 -12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.694 10.900 -13.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.988 11.185 -15.264 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.886 10.454 -14.114 1.00 0.00 H new ATOM 959 N SER A 64 5.432 10.438 -11.446 1.00 0.00 N ATOM 960 CA SER A 64 4.481 10.782 -10.395 1.00 0.00 C ATOM 961 C SER A 64 4.206 9.560 -9.536 1.00 0.00 C ATOM 962 O SER A 64 3.946 9.664 -8.339 1.00 0.00 O ATOM 963 CB SER A 64 3.180 11.305 -11.007 1.00 0.00 C ATOM 964 OG SER A 64 2.639 12.361 -10.232 1.00 0.00 O ATOM 0 H SER A 64 5.036 10.427 -12.386 1.00 0.00 H new ATOM 0 HA SER A 64 4.908 11.567 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.367 11.654 -12.023 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.456 10.493 -11.077 1.00 0.00 H new ATOM 0 HG SER A 64 1.809 12.678 -10.646 1.00 0.00 H new ATOM 970 N LEU A 65 4.261 8.397 -10.173 1.00 0.00 N ATOM 971 CA LEU A 65 4.017 7.137 -9.501 1.00 0.00 C ATOM 972 C LEU A 65 4.956 6.978 -8.316 1.00 0.00 C ATOM 973 O LEU A 65 4.512 6.845 -7.176 1.00 0.00 O ATOM 974 CB LEU A 65 4.239 5.993 -10.495 1.00 0.00 C ATOM 975 CG LEU A 65 3.580 4.661 -10.142 1.00 0.00 C ATOM 976 CD1 LEU A 65 3.860 3.631 -11.225 1.00 0.00 C ATOM 977 CD2 LEU A 65 4.065 4.164 -8.788 1.00 0.00 C ATOM 0 H LEU A 65 4.475 8.306 -11.166 1.00 0.00 H new ATOM 0 HA LEU A 65 2.991 7.117 -9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.872 6.310 -11.471 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.312 5.829 -10.596 1.00 0.00 H new ATOM 0 HG LEU A 65 2.502 4.813 -10.080 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.385 2.687 -10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.461 3.985 -12.176 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.936 3.482 -11.316 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.584 3.214 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.146 4.026 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.813 4.896 -8.020 1.00 0.00 H new ATOM 989 N ARG A 66 6.252 6.989 -8.587 1.00 0.00 N ATOM 990 CA ARG A 66 7.246 6.834 -7.533 1.00 0.00 C ATOM 991 C ARG A 66 7.161 7.968 -6.517 1.00 0.00 C ATOM 992 O ARG A 66 7.487 7.786 -5.348 1.00 0.00 O ATOM 993 CB ARG A 66 8.651 6.768 -8.134 1.00 0.00 C ATOM 994 CG ARG A 66 8.953 5.437 -8.805 1.00 0.00 C ATOM 995 CD ARG A 66 10.102 5.549 -9.792 1.00 0.00 C ATOM 996 NE ARG A 66 10.963 4.369 -9.757 1.00 0.00 N ATOM 997 CZ ARG A 66 12.172 4.340 -9.197 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.677 5.424 -8.620 1.00 0.00 N ATOM 999 NH2 ARG A 66 12.878 3.217 -9.209 1.00 0.00 N ATOM 0 H ARG A 66 6.640 7.103 -9.523 1.00 0.00 H new ATOM 0 HA ARG A 66 7.037 5.900 -7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.765 7.570 -8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.384 6.946 -7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.198 4.695 -8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.062 5.081 -9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.705 5.680 -10.799 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.692 6.437 -9.564 1.00 0.00 H new ATOM 0 HE ARG A 66 10.616 3.512 -10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.139 6.290 -8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.603 5.391 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.495 2.379 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.804 3.192 -8.781 1.00 0.00 H new ATOM 1013 N SER A 67 6.720 9.136 -6.968 1.00 0.00 N ATOM 1014 CA SER A 67 6.598 10.299 -6.095 1.00 0.00 C ATOM 1015 C SER A 67 5.704 10.009 -4.890 1.00 0.00 C ATOM 1016 O SER A 67 6.069 10.298 -3.754 1.00 0.00 O ATOM 1017 CB SER A 67 6.034 11.484 -6.877 1.00 0.00 C ATOM 1018 OG SER A 67 6.925 11.893 -7.901 1.00 0.00 O ATOM 0 H SER A 67 6.440 9.304 -7.934 1.00 0.00 H new ATOM 0 HA SER A 67 7.595 10.541 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.074 11.211 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.849 12.316 -6.198 1.00 0.00 H new ATOM 0 HG SER A 67 6.833 11.296 -8.673 1.00 0.00 H new ATOM 1024 N LYS A 68 4.528 9.452 -5.149 1.00 0.00 N ATOM 1025 CA LYS A 68 3.580 9.143 -4.080 1.00 0.00 C ATOM 1026 C LYS A 68 4.026 7.928 -3.271 1.00 0.00 C ATOM 1027 O LYS A 68 4.047 7.966 -2.042 1.00 0.00 O ATOM 1028 CB LYS A 68 2.181 8.899 -4.653 1.00 0.00 C ATOM 1029 CG LYS A 68 1.875 9.710 -5.903 1.00 0.00 C ATOM 1030 CD LYS A 68 2.053 11.200 -5.663 1.00 0.00 C ATOM 1031 CE LYS A 68 0.714 11.898 -5.476 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.145 11.804 -6.691 1.00 0.00 N ATOM 0 H LYS A 68 4.206 9.205 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 68 3.549 10.005 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.074 7.839 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.440 9.135 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.530 9.391 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.852 9.513 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.672 11.356 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.582 11.645 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.191 11.456 -4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.884 12.947 -5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.234 12.744 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.287 11.147 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.088 11.455 -6.424 1.00 0.00 H new ATOM 1046 N VAL A 69 4.380 6.853 -3.967 1.00 0.00 N ATOM 1047 CA VAL A 69 4.822 5.627 -3.309 1.00 0.00 C ATOM 1048 C VAL A 69 6.002 5.895 -2.387 1.00 0.00 C ATOM 1049 O VAL A 69 5.963 5.568 -1.203 1.00 0.00 O ATOM 1050 CB VAL A 69 5.243 4.561 -4.336 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.473 3.225 -3.645 1.00 0.00 C ATOM 1052 CG2 VAL A 69 4.201 4.436 -5.438 1.00 0.00 C ATOM 0 H VAL A 69 4.370 6.805 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 69 3.975 5.260 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 69 6.180 4.872 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.770 2.480 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.261 3.332 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.553 2.905 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.518 3.677 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.244 4.148 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.094 5.393 -5.948 1.00 0.00 H new ATOM 1062 N ASP A 70 7.040 6.509 -2.937 1.00 0.00 N ATOM 1063 CA ASP A 70 8.240 6.837 -2.165 1.00 0.00 C ATOM 1064 C ASP A 70 7.869 7.596 -0.896 1.00 0.00 C ATOM 1065 O ASP A 70 8.244 7.206 0.210 1.00 0.00 O ATOM 1066 CB ASP A 70 9.198 7.684 -3.003 1.00 0.00 C ATOM 1067 CG ASP A 70 10.242 6.852 -3.721 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.493 5.710 -3.284 1.00 0.00 O ATOM 1069 OD2 ASP A 70 10.807 7.344 -4.719 1.00 0.00 O ATOM 0 H ASP A 70 7.080 6.792 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 70 8.732 5.904 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.626 8.253 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.697 8.407 -2.357 1.00 0.00 H new ATOM 1074 N GLU A 71 7.120 8.675 -1.077 1.00 0.00 N ATOM 1075 CA GLU A 71 6.672 9.508 0.033 1.00 0.00 C ATOM 1076 C GLU A 71 5.963 8.671 1.086 1.00 0.00 C ATOM 1077 O GLU A 71 6.417 8.575 2.224 1.00 0.00 O ATOM 1078 CB GLU A 71 5.748 10.602 -0.494 1.00 0.00 C ATOM 1079 CG GLU A 71 6.485 11.871 -0.894 1.00 0.00 C ATOM 1080 CD GLU A 71 7.534 11.632 -1.964 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.410 10.766 -1.754 1.00 0.00 O ATOM 1082 OE2 GLU A 71 7.482 12.314 -3.009 1.00 0.00 O ATOM 0 H GLU A 71 6.806 8.997 -1.992 1.00 0.00 H new ATOM 0 HA GLU A 71 7.541 9.968 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.200 10.221 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.010 10.844 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.765 12.605 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.963 12.301 -0.013 1.00 0.00 H new ATOM 1089 N ALA A 72 4.857 8.060 0.700 1.00 0.00 N ATOM 1090 CA ALA A 72 4.093 7.223 1.613 1.00 0.00 C ATOM 1091 C ALA A 72 5.001 6.255 2.362 1.00 0.00 C ATOM 1092 O ALA A 72 4.868 6.073 3.571 1.00 0.00 O ATOM 1093 CB ALA A 72 3.040 6.464 0.844 1.00 0.00 C ATOM 0 H ALA A 72 4.466 8.127 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 72 3.611 7.865 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.469 5.838 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.369 7.169 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.520 5.836 0.093 1.00 0.00 H new ATOM 1099 N VAL A 73 5.935 5.644 1.637 1.00 0.00 N ATOM 1100 CA VAL A 73 6.865 4.707 2.252 1.00 0.00 C ATOM 1101 C VAL A 73 7.524 5.357 3.464 1.00 0.00 C ATOM 1102 O VAL A 73 7.814 4.694 4.456 1.00 0.00 O ATOM 1103 CB VAL A 73 7.950 4.229 1.263 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.849 3.188 1.919 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.312 3.664 0.002 1.00 0.00 C ATOM 0 H VAL A 73 6.066 5.780 0.635 1.00 0.00 H new ATOM 0 HA VAL A 73 6.293 3.832 2.561 1.00 0.00 H new ATOM 0 HB VAL A 73 8.562 5.086 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.608 2.862 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.334 3.624 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.249 2.332 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.092 3.332 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.675 2.819 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.711 4.436 -0.479 1.00 0.00 H new ATOM 1115 N ALA A 74 7.734 6.666 3.386 1.00 0.00 N ATOM 1116 CA ALA A 74 8.330 7.404 4.485 1.00 0.00 C ATOM 1117 C ALA A 74 7.326 7.571 5.624 1.00 0.00 C ATOM 1118 O ALA A 74 7.583 7.166 6.757 1.00 0.00 O ATOM 1119 CB ALA A 74 8.832 8.758 4.005 1.00 0.00 C ATOM 0 H ALA A 74 7.499 7.235 2.572 1.00 0.00 H new ATOM 0 HA ALA A 74 9.182 6.838 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.276 9.299 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.582 8.613 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.998 9.333 3.603 1.00 0.00 H new ATOM 1125 N VAL A 75 6.180 8.174 5.310 1.00 0.00 N ATOM 1126 CA VAL A 75 5.131 8.399 6.303 1.00 0.00 C ATOM 1127 C VAL A 75 4.535 7.088 6.814 1.00 0.00 C ATOM 1128 O VAL A 75 4.605 6.789 8.001 1.00 0.00 O ATOM 1129 CB VAL A 75 3.971 9.259 5.751 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.606 10.357 6.737 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.302 9.850 4.392 1.00 0.00 C ATOM 0 H VAL A 75 5.955 8.515 4.376 1.00 0.00 H new ATOM 0 HA VAL A 75 5.623 8.929 7.119 1.00 0.00 H new ATOM 0 HB VAL A 75 3.110 8.603 5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.788 10.952 6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.296 9.910 7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.472 10.997 6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.461 10.447 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.186 10.482 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.498 9.045 3.683 1.00 0.00 H new ATOM 1141 N LEU A 76 3.925 6.323 5.910 1.00 0.00 N ATOM 1142 CA LEU A 76 3.286 5.058 6.275 1.00 0.00 C ATOM 1143 C LEU A 76 4.213 4.171 7.092 1.00 0.00 C ATOM 1144 O LEU A 76 3.901 3.821 8.228 1.00 0.00 O ATOM 1145 CB LEU A 76 2.839 4.312 5.019 1.00 0.00 C ATOM 1146 CG LEU A 76 1.746 3.265 5.239 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.225 2.755 3.907 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.262 2.110 6.086 1.00 0.00 C ATOM 0 H LEU A 76 3.859 6.556 4.919 1.00 0.00 H new ATOM 0 HA LEU A 76 2.418 5.296 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.481 5.040 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.707 3.821 4.579 1.00 0.00 H new ATOM 0 HG LEU A 76 0.925 3.739 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.448 2.011 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.810 3.586 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.042 2.302 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.466 1.379 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.104 1.636 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.586 2.487 7.056 1.00 0.00 H new ATOM 1160 N GLN A 77 5.348 3.808 6.511 1.00 0.00 N ATOM 1161 CA GLN A 77 6.296 2.952 7.212 1.00 0.00 C ATOM 1162 C GLN A 77 6.573 3.525 8.605 1.00 0.00 C ATOM 1163 O GLN A 77 6.870 2.789 9.545 1.00 0.00 O ATOM 1164 CB GLN A 77 7.596 2.811 6.417 1.00 0.00 C ATOM 1165 CG GLN A 77 8.189 1.410 6.460 1.00 0.00 C ATOM 1166 CD GLN A 77 9.583 1.376 7.056 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.753 1.135 8.251 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.589 1.619 6.225 1.00 0.00 N ATOM 0 H GLN A 77 5.632 4.087 5.572 1.00 0.00 H new ATOM 0 HA GLN A 77 5.862 1.958 7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.408 3.085 5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.328 3.518 6.806 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.534 0.762 7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.222 1.004 5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.402 1.814 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.549 1.611 6.570 1.00 0.00 H new ATOM 1177 N ALA A 78 6.447 4.850 8.724 1.00 0.00 N ATOM 1178 CA ALA A 78 6.650 5.550 9.991 1.00 0.00 C ATOM 1179 C ALA A 78 5.403 5.499 10.880 1.00 0.00 C ATOM 1180 O ALA A 78 5.436 4.957 11.983 1.00 0.00 O ATOM 1181 CB ALA A 78 7.044 6.995 9.732 1.00 0.00 C ATOM 0 H ALA A 78 6.202 5.463 7.947 1.00 0.00 H new ATOM 0 HA ALA A 78 7.455 5.041 10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.193 7.508 10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.969 7.022 9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.253 7.493 9.171 1.00 0.00 H new ATOM 1187 N HIS A 79 4.305 6.087 10.393 1.00 0.00 N ATOM 1188 CA HIS A 79 3.051 6.129 11.142 1.00 0.00 C ATOM 1189 C HIS A 79 2.556 4.725 11.461 1.00 0.00 C ATOM 1190 O HIS A 79 2.459 4.341 12.627 1.00 0.00 O ATOM 1191 CB HIS A 79 1.984 6.897 10.352 1.00 0.00 C ATOM 1192 CG HIS A 79 1.500 8.134 11.043 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.619 8.111 12.103 1.00 0.00 N ATOM 1194 CD2 HIS A 79 1.777 9.440 10.818 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.372 9.346 12.500 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.065 10.172 11.736 1.00 0.00 N ATOM 0 H HIS A 79 4.263 6.541 9.480 1.00 0.00 H new ATOM 0 HA HIS A 79 3.238 6.647 12.083 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.391 7.171 9.379 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.135 6.238 10.168 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.436 9.833 10.058 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.283 9.632 13.309 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.070 11.189 11.815 1.00 0.00 H new ATOM 1536 N LYS B 5 5.107 13.136 4.448 1.00 0.00 N ATOM 1537 CA LYS B 5 5.244 13.124 2.997 1.00 0.00 C ATOM 1538 C LYS B 5 3.922 13.472 2.303 1.00 0.00 C ATOM 1539 O LYS B 5 3.013 14.019 2.924 1.00 0.00 O ATOM 1540 CB LYS B 5 5.778 11.777 2.526 1.00 0.00 C ATOM 1541 CG LYS B 5 6.988 11.303 3.322 1.00 0.00 C ATOM 1542 CD LYS B 5 8.289 11.659 2.622 1.00 0.00 C ATOM 1543 CE LYS B 5 8.864 12.962 3.149 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.027 12.940 4.629 1.00 0.00 N ATOM 0 HA LYS B 5 5.963 13.894 2.719 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.986 11.032 2.602 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.049 11.848 1.473 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.972 11.754 4.314 1.00 0.00 H new ATOM 0 HG3 LYS B 5 6.933 10.223 3.462 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.012 10.856 2.765 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.115 11.744 1.549 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.830 13.148 2.680 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.210 13.787 2.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 9.795 13.586 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 8.141 13.244 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.260 11.975 4.938 1.00 0.00 H new ATOM 1558 N LEU B 6 3.829 13.171 1.004 1.00 0.00 N ATOM 1559 CA LEU B 6 2.622 13.479 0.231 1.00 0.00 C ATOM 1560 C LEU B 6 1.490 12.479 0.481 1.00 0.00 C ATOM 1561 O LEU B 6 0.328 12.873 0.581 1.00 0.00 O ATOM 1562 CB LEU B 6 2.942 13.530 -1.265 1.00 0.00 C ATOM 1563 CG LEU B 6 4.075 14.482 -1.660 1.00 0.00 C ATOM 1564 CD1 LEU B 6 4.723 14.026 -2.961 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.555 15.906 -1.796 1.00 0.00 C ATOM 0 H LEU B 6 4.569 12.718 0.469 1.00 0.00 H new ATOM 0 HA LEU B 6 2.277 14.456 0.569 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.201 12.525 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.040 13.822 -1.803 1.00 0.00 H new ATOM 0 HG LEU B 6 4.828 14.465 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.526 14.713 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.131 13.023 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.976 14.015 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.375 16.567 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.782 15.939 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.135 16.233 -0.844 1.00 0.00 H new ATOM 1577 N SER B 7 1.818 11.191 0.578 1.00 0.00 N ATOM 1578 CA SER B 7 0.803 10.176 0.815 1.00 0.00 C ATOM 1579 C SER B 7 0.933 9.584 2.216 1.00 0.00 C ATOM 1580 O SER B 7 1.365 8.444 2.381 1.00 0.00 O ATOM 1581 CB SER B 7 0.905 9.076 -0.238 1.00 0.00 C ATOM 1582 OG SER B 7 1.395 9.589 -1.465 1.00 0.00 O ATOM 0 H SER B 7 2.769 10.832 0.497 1.00 0.00 H new ATOM 0 HA SER B 7 -0.176 10.649 0.740 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.566 8.286 0.119 1.00 0.00 H new ATOM 0 HB3 SER B 7 -0.075 8.625 -0.394 1.00 0.00 H new ATOM 0 HG SER B 7 2.233 9.138 -1.697 1.00 0.00 H new ATOM 1588 N VAL B 8 0.553 10.370 3.220 1.00 0.00 N ATOM 1589 CA VAL B 8 0.622 9.929 4.609 1.00 0.00 C ATOM 1590 C VAL B 8 -0.210 8.665 4.821 1.00 0.00 C ATOM 1591 O VAL B 8 -0.653 8.038 3.858 1.00 0.00 O ATOM 1592 CB VAL B 8 0.133 11.034 5.568 1.00 0.00 C ATOM 1593 CG1 VAL B 8 1.028 12.263 5.468 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.315 11.395 5.273 1.00 0.00 C ATOM 0 H VAL B 8 0.194 11.317 3.097 1.00 0.00 H new ATOM 0 HA VAL B 8 1.667 9.709 4.829 1.00 0.00 H new ATOM 0 HB VAL B 8 0.188 10.655 6.588 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.668 13.032 6.151 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.050 11.992 5.733 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.008 12.646 4.448 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.642 12.176 5.959 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.399 11.755 4.247 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -1.943 10.513 5.400 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.416 8.286 6.081 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.187 7.089 6.403 1.00 0.00 C ATOM 1606 C ASN B 9 -2.697 7.314 6.227 1.00 0.00 C ATOM 1607 O ASN B 9 -3.483 7.037 7.134 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.884 6.649 7.839 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.154 5.176 8.063 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.380 4.319 7.639 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.259 4.874 8.734 1.00 0.00 N ATOM 0 H ASN B 9 -0.060 8.790 6.893 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.890 6.304 5.707 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.160 6.863 8.069 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.489 7.235 8.531 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.494 3.898 8.916 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.873 5.618 9.067 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.089 7.839 5.063 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.495 8.126 4.767 1.00 0.00 C ATOM 1620 C ALA B 10 -5.417 6.959 5.134 1.00 0.00 C ATOM 1621 O ALA B 10 -4.957 5.910 5.585 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.655 8.482 3.298 1.00 0.00 C ATOM 0 H ALA B 10 -2.448 8.075 4.306 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.791 8.975 5.383 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.703 8.694 3.087 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.054 9.362 3.069 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.323 7.646 2.683 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.745 7.137 4.944 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.746 6.103 5.254 1.00 0.00 C ATOM 1630 C PRO B 11 -7.397 4.747 4.647 1.00 0.00 C ATOM 1631 O PRO B 11 -6.270 4.526 4.215 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.027 6.658 4.633 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.841 8.134 4.651 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.374 8.364 4.413 1.00 0.00 C ATOM 0 HA PRO B 11 -7.820 5.916 6.325 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.168 6.288 3.617 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.906 6.362 5.205 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.442 8.614 3.879 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.153 8.556 5.606 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.155 8.502 3.354 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.018 9.255 4.931 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.375 3.848 4.581 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.167 2.533 3.984 1.00 0.00 C ATOM 1644 C GLU B 12 -8.308 2.596 2.464 1.00 0.00 C ATOM 1645 O GLU B 12 -8.534 3.662 1.894 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.163 1.524 4.557 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.525 0.207 4.968 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.446 0.387 6.018 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -6.290 0.670 5.637 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -7.756 0.245 7.218 1.00 0.00 O ATOM 0 H GLU B 12 -9.319 4.006 4.934 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.154 2.210 4.225 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.657 1.965 5.423 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.937 1.328 3.815 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.295 -0.461 5.354 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.096 -0.275 4.090 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.189 1.438 1.818 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.321 1.371 0.366 1.00 0.00 C ATOM 1659 C PHE B 13 -9.693 0.818 -0.015 1.00 0.00 C ATOM 1660 O PHE B 13 -10.008 -0.347 0.220 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.193 0.556 -0.270 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.238 -0.917 -0.003 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.832 -1.440 1.215 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.670 -1.781 -0.990 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.860 -2.804 1.436 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.701 -3.141 -0.772 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.297 -3.652 0.435 1.00 0.00 C ATOM 0 H PHE B 13 -8.004 0.543 2.271 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.237 2.384 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.216 0.714 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.240 0.945 0.088 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.491 -0.777 1.997 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.987 -1.386 -1.944 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.542 -3.206 2.387 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -8.044 -3.805 -1.552 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.320 -4.718 0.604 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.490 1.701 -0.616 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.840 1.381 -1.070 1.00 0.00 C ATOM 1679 C TYR B 14 -11.960 1.549 -2.588 1.00 0.00 C ATOM 1680 O TYR B 14 -11.026 2.028 -3.232 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.837 2.272 -0.327 1.00 0.00 C ATOM 1682 CG TYR B 14 -12.677 2.200 1.175 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.414 0.989 1.805 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -12.780 3.338 1.962 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -12.261 0.914 3.175 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -12.628 3.274 3.334 1.00 0.00 C ATOM 1687 CZ TYR B 14 -12.370 2.060 3.936 1.00 0.00 C ATOM 1688 OH TYR B 14 -12.218 1.994 5.304 1.00 0.00 O ATOM 0 H TYR B 14 -10.214 2.665 -0.802 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.063 0.337 -0.848 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.709 3.304 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.852 1.977 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -12.328 0.091 1.212 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.982 4.290 1.494 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.057 -0.035 3.648 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -12.711 4.170 3.932 1.00 0.00 H new ATOM 0 HH TYR B 14 -12.324 2.889 5.688 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.108 1.175 -3.193 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.309 1.315 -4.641 1.00 0.00 C ATOM 1700 C PRO B 15 -13.363 2.773 -5.080 1.00 0.00 C ATOM 1701 O PRO B 15 -14.421 3.408 -5.086 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.648 0.637 -4.888 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.361 0.758 -3.589 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.298 0.599 -2.539 1.00 0.00 C ATOM 0 HA PRO B 15 -12.487 0.876 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.199 1.124 -5.692 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.519 -0.406 -5.176 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.859 1.724 -3.502 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.130 -0.008 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.553 1.130 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.147 -0.447 -2.271 1.00 0.00 H new ATOM 1712 N SER B 16 -12.206 3.282 -5.454 1.00 0.00 N ATOM 1713 CA SER B 16 -12.065 4.659 -5.905 1.00 0.00 C ATOM 1714 C SER B 16 -13.068 4.988 -7.006 1.00 0.00 C ATOM 1715 O SER B 16 -13.957 5.817 -6.817 1.00 0.00 O ATOM 1716 CB SER B 16 -10.641 4.875 -6.397 1.00 0.00 C ATOM 1717 OG SER B 16 -10.235 6.222 -6.226 1.00 0.00 O ATOM 0 H SER B 16 -11.333 2.754 -5.455 1.00 0.00 H new ATOM 0 HA SER B 16 -12.271 5.328 -5.069 1.00 0.00 H new ATOM 0 HB2 SER B 16 -9.963 4.217 -5.854 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.573 4.604 -7.450 1.00 0.00 H new ATOM 0 HG SER B 16 -9.568 6.274 -5.510 1.00 0.00 H new ATOM 1723 N GLY B 17 -12.920 4.340 -8.153 1.00 0.00 N ATOM 1724 CA GLY B 17 -13.821 4.587 -9.263 1.00 0.00 C ATOM 1725 C GLY B 17 -15.085 3.758 -9.175 1.00 0.00 C ATOM 1726 O GLY B 17 -15.441 3.061 -10.125 1.00 0.00 O ATOM 0 H GLY B 17 -12.193 3.648 -8.336 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.084 5.645 -9.286 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.309 4.366 -10.199 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.783 3.850 -8.044 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.025 3.110 -7.850 1.00 0.00 C ATOM 1732 C TYR B 18 -18.062 3.473 -8.909 1.00 0.00 C ATOM 1733 O TYR B 18 -18.321 4.650 -9.161 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.593 3.396 -6.459 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.285 2.207 -5.836 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.644 0.979 -5.747 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.577 2.312 -5.340 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.273 -0.111 -5.177 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.212 1.226 -4.770 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.555 0.016 -4.690 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.183 -1.069 -4.123 1.00 0.00 O ATOM 0 H TYR B 18 -15.509 4.429 -7.250 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.798 2.048 -7.944 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.784 3.720 -5.804 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.299 4.223 -6.526 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.639 0.874 -6.129 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.094 3.258 -5.401 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.761 -1.060 -5.113 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.218 1.324 -4.389 1.00 0.00 H new ATOM 0 HH TYR B 18 -19.963 -1.877 -4.632 1.00 0.00 H new