USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 969 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 55 GLN : amide:sc= 0.843 K(o=1.4,f=-1.2) USER MOD Set 1.2: B 66 GLN : amide:sc= 0.575 K(o=1.4,f=-1.6) USER MOD Set 2.1: A 66 GLN : amide:sc= -1.18 K(o=-1.7,f=-0.64) USER MOD Set 2.2: B 55 GLN : amide:sc= -0.494 K(o=-1.7,f=-0.64) USER MOD Set 3.1: B 47 THR OG1 : rot -78:sc= 1.24 USER MOD Set 3.2: B 48 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 47 THR OG1 : rot -78:sc= 1.22 USER MOD Set 4.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 26 HIS : no HD1:sc= 0.88 K(o=-0.51,f=-4.1!) USER MOD Set 5.2: B 14 GLN : amide:sc= -1.39! K(o=-0.51!,f=-2.2) USER MOD Single : A 11 GLN : amide:sc= -0.835 K(o=-0.83,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.124 X(o=0.12,f=-0.043) USER MOD Single : A 21 ASN : amide:sc= -1 K(o=-1,f=-0.004) USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= 1.2 (180deg=1.11) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 156:sc= -0.233 (180deg=-0.891) USER MOD Single : A 39 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.00024) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 64:sc= 1.22 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 46 ASN : amide:sc= 1.23 K(o=1.2,f=-5.6!) USER MOD Single : A 53 GLN : amide:sc=-0.000788 K(o=-0.00079,f=-0.86) USER MOD Single : A 59 ASN : amide:sc= -0.0663 K(o=-0.066,f=-0.76!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 78:sc= 1.23 USER MOD Single : A 68 SER OG : rot 71:sc= 1.23 USER MOD Single : B 8 SER OG : rot 25:sc= 0.103 USER MOD Single : B 11 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 21 ASN : amide:sc=-0.00457 X(o=-0.0046,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= -0.379 K(o=-0.38,f=-1.2) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot -79:sc= 1.1 USER MOD Single : B 35 MET CE :methyl -161:sc= -0.139 (180deg=-0.602) USER MOD Single : B 39 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0026) USER MOD Single : B 40 MET CE :methyl -158:sc= 0 (180deg=-0.612) USER MOD Single : B 42 THR OG1 : rot 99:sc= 1.28 USER MOD Single : B 43 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 46 ASN : amide:sc= -0.751 K(o=-0.75,f=-1.8) USER MOD Single : B 53 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.83) USER MOD Single : B 59 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 60 SER OG : rot 74:sc= 1.29 USER MOD Single : B 67 SER OG : rot 74:sc= 1.29 USER MOD Single : B 68 SER OG : rot 65:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -11.083 6.780 13.913 1.00 0.00 N ATOM 138 CA ASP A 9 -11.943 6.624 12.740 1.00 0.00 C ATOM 139 C ASP A 9 -12.168 7.948 12.016 1.00 0.00 C ATOM 140 O ASP A 9 -12.261 7.981 10.787 1.00 0.00 O ATOM 141 CB ASP A 9 -13.287 6.015 13.158 1.00 0.00 C ATOM 142 CG ASP A 9 -13.928 6.759 14.311 1.00 0.00 C ATOM 143 OD1 ASP A 9 -13.502 6.549 15.467 1.00 0.00 O ATOM 144 OD2 ASP A 9 -14.859 7.556 14.071 1.00 0.00 O ATOM 0 HA ASP A 9 -11.437 5.954 12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.965 6.020 12.305 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.138 4.973 13.441 1.00 0.00 H new ATOM 149 N GLU A 10 -12.235 9.037 12.775 1.00 0.00 N ATOM 150 CA GLU A 10 -12.405 10.359 12.191 1.00 0.00 C ATOM 151 C GLU A 10 -11.186 10.732 11.354 1.00 0.00 C ATOM 152 O GLU A 10 -11.312 11.082 10.182 1.00 0.00 O ATOM 153 CB GLU A 10 -12.627 11.409 13.278 1.00 0.00 C ATOM 154 CG GLU A 10 -13.860 11.167 14.130 1.00 0.00 C ATOM 155 CD GLU A 10 -14.076 12.270 15.143 1.00 0.00 C ATOM 156 OE1 GLU A 10 -13.535 12.170 16.264 1.00 0.00 O ATOM 157 OE2 GLU A 10 -14.775 13.251 14.820 1.00 0.00 O ATOM 0 H GLU A 10 -12.174 9.029 13.793 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.284 10.332 11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.751 11.437 13.926 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.709 12.390 12.810 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.736 11.090 13.486 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.761 10.213 14.648 1.00 0.00 H new ATOM 164 N GLN A 11 -10.005 10.643 11.963 1.00 0.00 N ATOM 165 CA GLN A 11 -8.761 10.983 11.279 1.00 0.00 C ATOM 166 C GLN A 11 -8.535 10.110 10.051 1.00 0.00 C ATOM 167 O GLN A 11 -8.155 10.613 8.995 1.00 0.00 O ATOM 168 CB GLN A 11 -7.563 10.851 12.221 1.00 0.00 C ATOM 169 CG GLN A 11 -7.441 11.986 13.223 1.00 0.00 C ATOM 170 CD GLN A 11 -6.162 11.904 14.036 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.604 12.924 14.438 1.00 0.00 O ATOM 172 NE2 GLN A 11 -5.690 10.692 14.285 1.00 0.00 N ATOM 0 H GLN A 11 -9.884 10.338 12.929 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.853 12.020 10.956 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.641 9.908 12.762 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.650 10.803 11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.472 12.939 12.694 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.298 11.967 13.896 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.183 9.871 13.934 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.834 10.580 14.828 1.00 0.00 H new ATOM 181 N VAL A 12 -8.770 8.810 10.193 1.00 0.00 N ATOM 182 CA VAL A 12 -8.566 7.874 9.093 1.00 0.00 C ATOM 183 C VAL A 12 -9.418 8.255 7.886 1.00 0.00 C ATOM 184 O VAL A 12 -8.910 8.362 6.768 1.00 0.00 O ATOM 185 CB VAL A 12 -8.883 6.420 9.511 1.00 0.00 C ATOM 186 CG1 VAL A 12 -8.759 5.476 8.323 1.00 0.00 C ATOM 187 CG2 VAL A 12 -7.961 5.979 10.635 1.00 0.00 C ATOM 0 H VAL A 12 -9.101 8.381 11.057 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.512 7.931 8.821 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.912 6.385 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.987 4.459 8.641 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.459 5.778 7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.742 5.515 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.197 4.953 10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.926 6.034 10.299 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.098 6.633 11.496 1.00 0.00 H new ATOM 197 N GLU A 13 -10.705 8.483 8.116 1.00 0.00 N ATOM 198 CA GLU A 13 -11.612 8.846 7.037 1.00 0.00 C ATOM 199 C GLU A 13 -11.283 10.242 6.511 1.00 0.00 C ATOM 200 O GLU A 13 -11.368 10.500 5.310 1.00 0.00 O ATOM 201 CB GLU A 13 -13.061 8.783 7.516 1.00 0.00 C ATOM 202 CG GLU A 13 -14.074 8.938 6.396 1.00 0.00 C ATOM 203 CD GLU A 13 -15.496 8.781 6.878 1.00 0.00 C ATOM 204 OE1 GLU A 13 -15.969 7.632 6.975 1.00 0.00 O ATOM 205 OE2 GLU A 13 -16.150 9.805 7.161 1.00 0.00 O ATOM 0 H GLU A 13 -11.142 8.423 9.036 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.486 8.132 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.229 7.830 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.226 9.566 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.956 9.919 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.872 8.197 5.622 1.00 0.00 H new ATOM 212 N GLN A 14 -10.892 11.134 7.415 1.00 0.00 N ATOM 213 CA GLN A 14 -10.490 12.482 7.038 1.00 0.00 C ATOM 214 C GLN A 14 -9.297 12.437 6.089 1.00 0.00 C ATOM 215 O GLN A 14 -9.341 13.011 5.003 1.00 0.00 O ATOM 216 CB GLN A 14 -10.138 13.305 8.280 1.00 0.00 C ATOM 217 CG GLN A 14 -9.674 14.720 7.970 1.00 0.00 C ATOM 218 CD GLN A 14 -10.749 15.562 7.306 1.00 0.00 C ATOM 219 OE1 GLN A 14 -11.543 16.218 7.982 1.00 0.00 O ATOM 220 NE2 GLN A 14 -10.776 15.561 5.983 1.00 0.00 N ATOM 0 H GLN A 14 -10.845 10.946 8.416 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.328 12.957 6.528 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.011 13.354 8.931 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.354 12.790 8.835 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.359 15.204 8.894 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.800 14.676 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.101 15.004 5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.472 16.117 5.487 1.00 0.00 H new ATOM 229 N LEU A 15 -8.244 11.740 6.499 1.00 0.00 N ATOM 230 CA LEU A 15 -7.037 11.623 5.687 1.00 0.00 C ATOM 231 C LEU A 15 -7.335 10.898 4.382 1.00 0.00 C ATOM 232 O LEU A 15 -6.730 11.186 3.349 1.00 0.00 O ATOM 233 CB LEU A 15 -5.937 10.888 6.456 1.00 0.00 C ATOM 234 CG LEU A 15 -5.410 11.620 7.691 1.00 0.00 C ATOM 235 CD1 LEU A 15 -4.374 10.773 8.413 1.00 0.00 C ATOM 236 CD2 LEU A 15 -4.815 12.963 7.299 1.00 0.00 C ATOM 0 H LEU A 15 -8.201 11.246 7.390 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.688 12.629 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.319 9.915 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.103 10.703 5.779 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.246 11.795 8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.011 11.311 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.827 9.833 8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.540 10.568 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.445 13.471 8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.992 12.807 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.581 13.576 6.824 1.00 0.00 H new ATOM 248 N LEU A 16 -8.272 9.960 4.440 1.00 0.00 N ATOM 249 CA LEU A 16 -8.722 9.247 3.255 1.00 0.00 C ATOM 250 C LEU A 16 -9.282 10.230 2.230 1.00 0.00 C ATOM 251 O LEU A 16 -8.920 10.192 1.053 1.00 0.00 O ATOM 252 CB LEU A 16 -9.792 8.220 3.634 1.00 0.00 C ATOM 253 CG LEU A 16 -10.265 7.317 2.497 1.00 0.00 C ATOM 254 CD1 LEU A 16 -9.130 6.425 2.022 1.00 0.00 C ATOM 255 CD2 LEU A 16 -11.458 6.485 2.943 1.00 0.00 C ATOM 0 H LEU A 16 -8.737 9.675 5.302 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.871 8.726 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.402 7.593 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.655 8.751 4.037 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.579 7.942 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.483 5.787 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.306 7.043 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.785 5.804 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.784 5.847 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.172 5.865 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.274 7.146 3.234 1.00 0.00 H new ATOM 267 N ALA A 17 -10.151 11.122 2.696 1.00 0.00 N ATOM 268 CA ALA A 17 -10.750 12.135 1.837 1.00 0.00 C ATOM 269 C ALA A 17 -9.688 13.086 1.295 1.00 0.00 C ATOM 270 O ALA A 17 -9.767 13.526 0.147 1.00 0.00 O ATOM 271 CB ALA A 17 -11.818 12.909 2.595 1.00 0.00 C ATOM 0 H ALA A 17 -10.456 11.163 3.668 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.218 11.631 0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.256 13.662 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.596 12.223 2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.369 13.398 3.459 1.00 0.00 H new ATOM 277 N GLU A 18 -8.694 13.392 2.126 1.00 0.00 N ATOM 278 CA GLU A 18 -7.597 14.269 1.724 1.00 0.00 C ATOM 279 C GLU A 18 -6.803 13.642 0.583 1.00 0.00 C ATOM 280 O GLU A 18 -6.559 14.281 -0.442 1.00 0.00 O ATOM 281 CB GLU A 18 -6.658 14.554 2.902 1.00 0.00 C ATOM 282 CG GLU A 18 -7.356 15.098 4.140 1.00 0.00 C ATOM 283 CD GLU A 18 -8.144 16.363 3.871 1.00 0.00 C ATOM 284 OE1 GLU A 18 -9.313 16.263 3.451 1.00 0.00 O ATOM 285 OE2 GLU A 18 -7.603 17.464 4.088 1.00 0.00 O ATOM 0 H GLU A 18 -8.626 13.045 3.083 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.033 15.210 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.137 13.634 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.900 15.269 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.028 14.336 4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.612 15.298 4.911 1.00 0.00 H new ATOM 292 N LEU A 19 -6.413 12.384 0.767 1.00 0.00 N ATOM 293 CA LEU A 19 -5.627 11.667 -0.229 1.00 0.00 C ATOM 294 C LEU A 19 -6.403 11.504 -1.532 1.00 0.00 C ATOM 295 O LEU A 19 -5.901 11.830 -2.607 1.00 0.00 O ATOM 296 CB LEU A 19 -5.213 10.295 0.308 1.00 0.00 C ATOM 297 CG LEU A 19 -4.296 10.330 1.531 1.00 0.00 C ATOM 298 CD1 LEU A 19 -4.009 8.922 2.025 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.000 11.054 1.199 1.00 0.00 C ATOM 0 H LEU A 19 -6.630 11.839 1.601 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.733 12.255 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.113 9.735 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.711 9.746 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.803 10.874 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.355 8.968 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.945 8.435 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.521 8.351 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.357 11.071 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.491 10.534 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.222 12.076 0.892 1.00 0.00 H new ATOM 311 N LEU A 20 -7.632 11.012 -1.427 1.00 0.00 N ATOM 312 CA LEU A 20 -8.472 10.791 -2.602 1.00 0.00 C ATOM 313 C LEU A 20 -8.738 12.099 -3.342 1.00 0.00 C ATOM 314 O LEU A 20 -8.923 12.104 -4.559 1.00 0.00 O ATOM 315 CB LEU A 20 -9.795 10.125 -2.205 1.00 0.00 C ATOM 316 CG LEU A 20 -9.791 8.590 -2.197 1.00 0.00 C ATOM 317 CD1 LEU A 20 -8.695 8.043 -1.293 1.00 0.00 C ATOM 318 CD2 LEU A 20 -11.150 8.062 -1.758 1.00 0.00 C ATOM 0 H LEU A 20 -8.070 10.758 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.934 10.123 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.072 10.475 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.572 10.464 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.588 8.250 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.720 6.953 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.724 8.390 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.855 8.394 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.134 6.972 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.374 8.423 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.917 8.413 -2.449 1.00 0.00 H new ATOM 330 N ASN A 21 -8.738 13.206 -2.610 1.00 0.00 N ATOM 331 CA ASN A 21 -8.939 14.517 -3.213 1.00 0.00 C ATOM 332 C ASN A 21 -7.733 14.901 -4.064 1.00 0.00 C ATOM 333 O ASN A 21 -7.884 15.415 -5.169 1.00 0.00 O ATOM 334 CB ASN A 21 -9.193 15.578 -2.135 1.00 0.00 C ATOM 335 CG ASN A 21 -9.564 16.937 -2.706 1.00 0.00 C ATOM 336 OD1 ASN A 21 -9.251 17.970 -2.119 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.248 16.951 -3.842 1.00 0.00 N ATOM 0 H ASN A 21 -8.601 13.222 -1.599 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.818 14.467 -3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.994 15.236 -1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.300 15.682 -1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.531 17.839 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.491 16.074 -4.302 1.00 0.00 H new ATOM 344 N VAL A 22 -6.537 14.622 -3.558 1.00 0.00 N ATOM 345 CA VAL A 22 -5.309 14.922 -4.291 1.00 0.00 C ATOM 346 C VAL A 22 -5.203 14.057 -5.546 1.00 0.00 C ATOM 347 O VAL A 22 -4.857 14.546 -6.625 1.00 0.00 O ATOM 348 CB VAL A 22 -4.055 14.711 -3.414 1.00 0.00 C ATOM 349 CG1 VAL A 22 -2.788 15.021 -4.197 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.129 15.569 -2.162 1.00 0.00 C ATOM 0 H VAL A 22 -6.390 14.190 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.356 15.973 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.023 13.663 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.918 14.865 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.725 14.362 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.811 16.058 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.237 15.407 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.190 16.620 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.013 15.296 -1.586 1.00 0.00 H new ATOM 360 N LEU A 23 -5.516 12.775 -5.403 1.00 0.00 N ATOM 361 CA LEU A 23 -5.491 11.854 -6.535 1.00 0.00 C ATOM 362 C LEU A 23 -6.516 12.260 -7.588 1.00 0.00 C ATOM 363 O LEU A 23 -6.199 12.363 -8.774 1.00 0.00 O ATOM 364 CB LEU A 23 -5.754 10.410 -6.080 1.00 0.00 C ATOM 365 CG LEU A 23 -4.521 9.608 -5.641 1.00 0.00 C ATOM 366 CD1 LEU A 23 -3.496 9.546 -6.761 1.00 0.00 C ATOM 367 CD2 LEU A 23 -3.901 10.196 -4.383 1.00 0.00 C ATOM 0 H LEU A 23 -5.790 12.349 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.495 11.903 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.461 10.434 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.239 9.875 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.847 8.593 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.630 8.973 -6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.938 9.064 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.184 10.556 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.030 9.606 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.596 11.225 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.632 10.179 -3.575 1.00 0.00 H new ATOM 379 N GLU A 24 -7.742 12.516 -7.148 1.00 0.00 N ATOM 380 CA GLU A 24 -8.823 12.869 -8.060 1.00 0.00 C ATOM 381 C GLU A 24 -8.620 14.272 -8.638 1.00 0.00 C ATOM 382 O GLU A 24 -9.178 14.606 -9.679 1.00 0.00 O ATOM 383 CB GLU A 24 -10.171 12.771 -7.342 1.00 0.00 C ATOM 384 CG GLU A 24 -11.373 12.939 -8.256 1.00 0.00 C ATOM 385 CD GLU A 24 -12.687 12.820 -7.514 1.00 0.00 C ATOM 386 OE1 GLU A 24 -13.114 13.818 -6.897 1.00 0.00 O ATOM 387 OE2 GLU A 24 -13.305 11.735 -7.555 1.00 0.00 O ATOM 0 H GLU A 24 -8.013 12.486 -6.165 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.815 12.163 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.237 11.802 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.212 13.532 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.322 13.913 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.335 12.186 -9.043 1.00 0.00 H new ATOM 394 N LYS A 25 -7.806 15.080 -7.963 1.00 0.00 N ATOM 395 CA LYS A 25 -7.463 16.417 -8.450 1.00 0.00 C ATOM 396 C LYS A 25 -6.840 16.335 -9.843 1.00 0.00 C ATOM 397 O LYS A 25 -7.049 17.209 -10.687 1.00 0.00 O ATOM 398 CB LYS A 25 -6.478 17.098 -7.490 1.00 0.00 C ATOM 399 CG LYS A 25 -6.113 18.519 -7.889 1.00 0.00 C ATOM 400 CD LYS A 25 -4.875 19.017 -7.153 1.00 0.00 C ATOM 401 CE LYS A 25 -5.074 19.044 -5.645 1.00 0.00 C ATOM 402 NZ LYS A 25 -3.861 19.533 -4.935 1.00 0.00 N ATOM 0 H LYS A 25 -7.370 14.833 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.379 17.005 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.911 17.112 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.568 16.501 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.937 18.560 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.952 19.182 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.028 18.375 -7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.625 20.019 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.921 19.686 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.322 18.043 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.780 19.054 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.017 19.328 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.937 20.559 -4.785 1.00 0.00 H new ATOM 416 N HIS A 26 -6.075 15.276 -10.070 1.00 0.00 N ATOM 417 CA HIS A 26 -5.406 15.072 -11.350 1.00 0.00 C ATOM 418 C HIS A 26 -6.086 13.972 -12.156 1.00 0.00 C ATOM 419 O HIS A 26 -6.033 13.973 -13.385 1.00 0.00 O ATOM 420 CB HIS A 26 -3.933 14.709 -11.136 1.00 0.00 C ATOM 421 CG HIS A 26 -3.101 15.818 -10.569 1.00 0.00 C ATOM 422 ND1 HIS A 26 -2.341 16.653 -11.349 1.00 0.00 N ATOM 423 CD2 HIS A 26 -2.888 16.206 -9.289 1.00 0.00 C ATOM 424 CE1 HIS A 26 -1.693 17.505 -10.577 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.005 17.256 -9.319 1.00 0.00 N ATOM 0 H HIS A 26 -5.901 14.542 -9.383 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.471 16.007 -11.907 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.876 13.850 -10.468 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.505 14.400 -12.090 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.332 15.769 -8.407 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.020 18.277 -10.918 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.650 17.759 -8.506 1.00 0.00 H new ATOM 434 N LYS A 27 -6.729 13.043 -11.446 1.00 0.00 N ATOM 435 CA LYS A 27 -7.328 11.854 -12.056 1.00 0.00 C ATOM 436 C LYS A 27 -6.263 11.012 -12.753 1.00 0.00 C ATOM 437 O LYS A 27 -6.054 11.115 -13.964 1.00 0.00 O ATOM 438 CB LYS A 27 -8.453 12.212 -13.033 1.00 0.00 C ATOM 439 CG LYS A 27 -9.708 12.750 -12.362 1.00 0.00 C ATOM 440 CD LYS A 27 -10.850 12.880 -13.356 1.00 0.00 C ATOM 441 CE LYS A 27 -10.580 13.967 -14.383 1.00 0.00 C ATOM 442 NZ LYS A 27 -10.850 15.327 -13.843 1.00 0.00 N ATOM 0 H LYS A 27 -6.849 13.093 -10.434 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.771 11.267 -11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.084 12.956 -13.739 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.714 11.325 -13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.003 12.085 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.497 13.722 -11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.000 11.928 -13.865 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.773 13.105 -12.822 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.542 13.907 -14.710 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.201 13.797 -15.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.653 16.037 -14.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.847 15.394 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.239 15.501 -13.019 1.00 0.00 H new ATOM 456 N ALA A 28 -5.578 10.195 -11.971 1.00 0.00 N ATOM 457 CA ALA A 28 -4.514 9.349 -12.485 1.00 0.00 C ATOM 458 C ALA A 28 -5.033 7.939 -12.752 1.00 0.00 C ATOM 459 O ALA A 28 -5.996 7.499 -12.119 1.00 0.00 O ATOM 460 CB ALA A 28 -3.353 9.315 -11.500 1.00 0.00 C ATOM 0 H ALA A 28 -5.742 10.099 -10.969 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.160 9.765 -13.428 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.560 8.679 -11.894 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.969 10.325 -11.355 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.697 8.917 -10.545 1.00 0.00 H new ATOM 466 N PRO A 29 -4.421 7.223 -13.707 1.00 0.00 N ATOM 467 CA PRO A 29 -4.783 5.834 -14.003 1.00 0.00 C ATOM 468 C PRO A 29 -4.457 4.902 -12.837 1.00 0.00 C ATOM 469 O PRO A 29 -3.532 5.164 -12.064 1.00 0.00 O ATOM 470 CB PRO A 29 -3.927 5.488 -15.223 1.00 0.00 C ATOM 471 CG PRO A 29 -2.787 6.446 -15.175 1.00 0.00 C ATOM 472 CD PRO A 29 -3.337 7.709 -14.578 1.00 0.00 C ATOM 0 HA PRO A 29 -5.852 5.717 -14.179 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.578 4.456 -15.181 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.495 5.595 -16.147 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.970 6.051 -14.571 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.387 6.627 -16.172 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.579 8.251 -14.013 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.710 8.388 -15.345 1.00 0.00 H new ATOM 480 N THR A 30 -5.212 3.815 -12.728 1.00 0.00 N ATOM 481 CA THR A 30 -5.062 2.867 -11.628 1.00 0.00 C ATOM 482 C THR A 30 -3.628 2.343 -11.527 1.00 0.00 C ATOM 483 O THR A 30 -3.054 2.301 -10.438 1.00 0.00 O ATOM 484 CB THR A 30 -6.032 1.677 -11.788 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.377 2.154 -11.937 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.957 0.740 -10.588 1.00 0.00 C ATOM 0 H THR A 30 -5.942 3.566 -13.395 1.00 0.00 H new ATOM 0 HA THR A 30 -5.301 3.405 -10.711 1.00 0.00 H new ATOM 0 HB THR A 30 -5.738 1.123 -12.680 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.985 1.392 -12.040 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.651 -0.088 -10.729 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.943 0.352 -10.493 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.223 1.286 -9.683 1.00 0.00 H new ATOM 494 N ASP A 31 -3.042 1.974 -12.665 1.00 0.00 N ATOM 495 CA ASP A 31 -1.689 1.418 -12.685 1.00 0.00 C ATOM 496 C ASP A 31 -0.682 2.424 -12.129 1.00 0.00 C ATOM 497 O ASP A 31 0.188 2.073 -11.331 1.00 0.00 O ATOM 498 CB ASP A 31 -1.302 1.009 -14.110 1.00 0.00 C ATOM 499 CG ASP A 31 0.029 0.284 -14.166 1.00 0.00 C ATOM 500 OD1 ASP A 31 0.103 -0.868 -13.685 1.00 0.00 O ATOM 501 OD2 ASP A 31 0.999 0.850 -14.713 1.00 0.00 O ATOM 0 H ASP A 31 -3.481 2.049 -13.583 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.674 0.532 -12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.079 0.367 -14.524 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.255 1.898 -14.739 1.00 0.00 H new ATOM 506 N LEU A 32 -0.826 3.681 -12.534 1.00 0.00 N ATOM 507 CA LEU A 32 0.046 4.747 -12.048 1.00 0.00 C ATOM 508 C LEU A 32 -0.180 4.987 -10.559 1.00 0.00 C ATOM 509 O LEU A 32 0.771 5.161 -9.798 1.00 0.00 O ATOM 510 CB LEU A 32 -0.197 6.041 -12.833 1.00 0.00 C ATOM 511 CG LEU A 32 0.576 7.271 -12.339 1.00 0.00 C ATOM 512 CD1 LEU A 32 2.077 7.034 -12.401 1.00 0.00 C ATOM 513 CD2 LEU A 32 0.201 8.493 -13.158 1.00 0.00 C ATOM 0 H LEU A 32 -1.538 3.988 -13.197 1.00 0.00 H new ATOM 0 HA LEU A 32 1.080 4.436 -12.198 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.063 5.866 -13.877 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.263 6.268 -12.804 1.00 0.00 H new ATOM 0 HG LEU A 32 0.304 7.447 -11.298 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.600 7.921 -12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.337 6.183 -11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.371 6.828 -13.430 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.757 9.358 -12.796 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.444 8.317 -14.206 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.868 8.682 -13.061 1.00 0.00 H new ATOM 525 N SER A 33 -1.445 4.981 -10.149 1.00 0.00 N ATOM 526 CA SER A 33 -1.797 5.186 -8.751 1.00 0.00 C ATOM 527 C SER A 33 -1.149 4.117 -7.876 1.00 0.00 C ATOM 528 O SER A 33 -0.636 4.418 -6.797 1.00 0.00 O ATOM 529 CB SER A 33 -3.318 5.164 -8.573 1.00 0.00 C ATOM 530 OG SER A 33 -3.684 5.484 -7.242 1.00 0.00 O ATOM 0 H SER A 33 -2.243 4.836 -10.767 1.00 0.00 H new ATOM 0 HA SER A 33 -1.424 6.163 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.777 5.875 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.703 4.177 -8.831 1.00 0.00 H new ATOM 0 HG SER A 33 -4.660 5.464 -7.157 1.00 0.00 H new ATOM 536 N LEU A 34 -1.161 2.874 -8.352 1.00 0.00 N ATOM 537 CA LEU A 34 -0.544 1.770 -7.628 1.00 0.00 C ATOM 538 C LEU A 34 0.956 2.002 -7.469 1.00 0.00 C ATOM 539 O LEU A 34 1.530 1.701 -6.424 1.00 0.00 O ATOM 540 CB LEU A 34 -0.796 0.444 -8.352 1.00 0.00 C ATOM 541 CG LEU A 34 -2.263 0.019 -8.446 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.397 -1.263 -9.251 1.00 0.00 C ATOM 543 CD2 LEU A 34 -2.861 -0.163 -7.058 1.00 0.00 C ATOM 0 H LEU A 34 -1.592 2.608 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.996 1.720 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.391 0.517 -9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.239 -0.342 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.813 0.809 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.447 -1.549 -9.307 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.011 -1.103 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.829 -2.058 -8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.904 -0.465 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.306 -0.932 -6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.802 0.777 -6.510 1.00 0.00 H new ATOM 555 N MET A 35 1.580 2.550 -8.504 1.00 0.00 N ATOM 556 CA MET A 35 3.009 2.832 -8.465 1.00 0.00 C ATOM 557 C MET A 35 3.319 3.945 -7.470 1.00 0.00 C ATOM 558 O MET A 35 4.228 3.816 -6.648 1.00 0.00 O ATOM 559 CB MET A 35 3.528 3.217 -9.850 1.00 0.00 C ATOM 560 CG MET A 35 3.455 2.091 -10.864 1.00 0.00 C ATOM 561 SD MET A 35 4.192 2.534 -12.449 1.00 0.00 S ATOM 562 CE MET A 35 5.888 2.844 -11.964 1.00 0.00 C ATOM 0 H MET A 35 1.121 2.807 -9.378 1.00 0.00 H new ATOM 0 HA MET A 35 3.514 1.922 -8.141 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.953 4.066 -10.221 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.563 3.548 -9.761 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.963 1.214 -10.464 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.412 1.813 -11.018 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.543 2.709 -12.825 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.980 3.866 -11.595 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.175 2.147 -11.177 1.00 0.00 H new ATOM 572 N VAL A 36 2.552 5.029 -7.544 1.00 0.00 N ATOM 573 CA VAL A 36 2.746 6.167 -6.649 1.00 0.00 C ATOM 574 C VAL A 36 2.570 5.747 -5.192 1.00 0.00 C ATOM 575 O VAL A 36 3.433 6.015 -4.356 1.00 0.00 O ATOM 576 CB VAL A 36 1.771 7.324 -6.971 1.00 0.00 C ATOM 577 CG1 VAL A 36 1.981 8.495 -6.020 1.00 0.00 C ATOM 578 CG2 VAL A 36 1.939 7.778 -8.415 1.00 0.00 C ATOM 0 H VAL A 36 1.791 5.144 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 36 3.765 6.522 -6.804 1.00 0.00 H new ATOM 0 HB VAL A 36 0.754 6.955 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.283 9.295 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.808 8.167 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.003 8.862 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.245 8.592 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.961 8.123 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.731 6.944 -9.085 1.00 0.00 H new ATOM 588 N LEU A 37 1.464 5.071 -4.900 1.00 0.00 N ATOM 589 CA LEU A 37 1.195 4.588 -3.547 1.00 0.00 C ATOM 590 C LEU A 37 2.278 3.612 -3.103 1.00 0.00 C ATOM 591 O LEU A 37 2.725 3.647 -1.956 1.00 0.00 O ATOM 592 CB LEU A 37 -0.173 3.908 -3.484 1.00 0.00 C ATOM 593 CG LEU A 37 -1.367 4.815 -3.788 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.654 4.010 -3.802 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.457 5.946 -2.772 1.00 0.00 C ATOM 0 H LEU A 37 0.739 4.844 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 37 1.195 5.445 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.180 3.077 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.304 3.483 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.221 5.254 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.494 4.670 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.592 3.237 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.802 3.544 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.313 6.579 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.578 5.528 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.545 6.541 -2.809 1.00 0.00 H new ATOM 607 N GLY A 38 2.700 2.751 -4.024 1.00 0.00 N ATOM 608 CA GLY A 38 3.761 1.809 -3.731 1.00 0.00 C ATOM 609 C GLY A 38 5.043 2.505 -3.326 1.00 0.00 C ATOM 610 O GLY A 38 5.627 2.188 -2.290 1.00 0.00 O ATOM 0 H GLY A 38 2.324 2.690 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.442 1.142 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.947 1.188 -4.608 1.00 0.00 H new ATOM 614 N ASN A 39 5.469 3.472 -4.131 1.00 0.00 N ATOM 615 CA ASN A 39 6.682 4.232 -3.842 1.00 0.00 C ATOM 616 C ASN A 39 6.518 5.033 -2.557 1.00 0.00 C ATOM 617 O ASN A 39 7.458 5.165 -1.777 1.00 0.00 O ATOM 618 CB ASN A 39 7.033 5.173 -5.001 1.00 0.00 C ATOM 619 CG ASN A 39 7.676 4.463 -6.183 1.00 0.00 C ATOM 620 OD1 ASN A 39 8.482 5.050 -6.907 1.00 0.00 O ATOM 621 ND2 ASN A 39 7.336 3.200 -6.392 1.00 0.00 N ATOM 0 H ASN A 39 4.993 3.749 -4.989 1.00 0.00 H new ATOM 0 HA ASN A 39 7.498 3.520 -3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.127 5.676 -5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.711 5.946 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.745 2.684 -7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.666 2.743 -5.774 1.00 0.00 H new ATOM 628 N MET A 40 5.315 5.549 -2.343 1.00 0.00 N ATOM 629 CA MET A 40 4.999 6.317 -1.145 1.00 0.00 C ATOM 630 C MET A 40 5.247 5.487 0.113 1.00 0.00 C ATOM 631 O MET A 40 5.993 5.900 1.004 1.00 0.00 O ATOM 632 CB MET A 40 3.542 6.775 -1.196 1.00 0.00 C ATOM 633 CG MET A 40 3.116 7.622 -0.012 1.00 0.00 C ATOM 634 SD MET A 40 1.394 8.140 -0.125 1.00 0.00 S ATOM 635 CE MET A 40 1.237 9.095 1.376 1.00 0.00 C ATOM 0 H MET A 40 4.534 5.448 -2.991 1.00 0.00 H new ATOM 0 HA MET A 40 5.650 7.190 -1.109 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.383 7.344 -2.112 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.898 5.897 -1.251 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.263 7.056 0.908 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.755 8.503 0.050 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.223 9.487 1.454 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.447 8.459 2.236 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.945 9.923 1.356 1.00 0.00 H new ATOM 645 N VAL A 41 4.631 4.310 0.170 1.00 0.00 N ATOM 646 CA VAL A 41 4.786 3.422 1.316 1.00 0.00 C ATOM 647 C VAL A 41 6.227 2.926 1.423 1.00 0.00 C ATOM 648 O VAL A 41 6.812 2.926 2.505 1.00 0.00 O ATOM 649 CB VAL A 41 3.827 2.213 1.233 1.00 0.00 C ATOM 650 CG1 VAL A 41 3.993 1.299 2.440 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.384 2.681 1.121 1.00 0.00 C ATOM 0 H VAL A 41 4.021 3.950 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 41 4.536 3.998 2.207 1.00 0.00 H new ATOM 0 HB VAL A 41 4.081 1.645 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.306 0.457 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.018 0.929 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.774 1.856 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.724 1.815 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.126 3.277 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.267 3.287 0.222 1.00 0.00 H new ATOM 661 N THR A 42 6.800 2.529 0.291 1.00 0.00 N ATOM 662 CA THR A 42 8.175 2.042 0.257 1.00 0.00 C ATOM 663 C THR A 42 9.139 3.093 0.808 1.00 0.00 C ATOM 664 O THR A 42 10.029 2.780 1.603 1.00 0.00 O ATOM 665 CB THR A 42 8.598 1.662 -1.176 1.00 0.00 C ATOM 666 OG1 THR A 42 7.701 0.677 -1.700 1.00 0.00 O ATOM 667 CG2 THR A 42 10.023 1.121 -1.208 1.00 0.00 C ATOM 0 H THR A 42 6.333 2.535 -0.616 1.00 0.00 H new ATOM 0 HA THR A 42 8.218 1.152 0.884 1.00 0.00 H new ATOM 0 HB THR A 42 8.560 2.562 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.801 1.059 -1.772 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.291 0.862 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.709 1.881 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.089 0.232 -0.580 1.00 0.00 H new ATOM 675 N ASN A 43 8.949 4.343 0.395 1.00 0.00 N ATOM 676 CA ASN A 43 9.796 5.435 0.859 1.00 0.00 C ATOM 677 C ASN A 43 9.681 5.589 2.371 1.00 0.00 C ATOM 678 O ASN A 43 10.684 5.710 3.068 1.00 0.00 O ATOM 679 CB ASN A 43 9.411 6.752 0.176 1.00 0.00 C ATOM 680 CG ASN A 43 10.392 7.872 0.478 1.00 0.00 C ATOM 681 OD1 ASN A 43 11.600 7.649 0.581 1.00 0.00 O ATOM 682 ND2 ASN A 43 9.878 9.083 0.635 1.00 0.00 N ATOM 0 H ASN A 43 8.218 4.623 -0.258 1.00 0.00 H new ATOM 0 HA ASN A 43 10.827 5.195 0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.361 6.598 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.414 7.049 0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.488 9.872 0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.872 9.226 0.542 1.00 0.00 H new ATOM 689 N LEU A 44 8.449 5.558 2.869 1.00 0.00 N ATOM 690 CA LEU A 44 8.182 5.710 4.298 1.00 0.00 C ATOM 691 C LEU A 44 8.899 4.631 5.112 1.00 0.00 C ATOM 692 O LEU A 44 9.523 4.923 6.134 1.00 0.00 O ATOM 693 CB LEU A 44 6.673 5.644 4.561 1.00 0.00 C ATOM 694 CG LEU A 44 6.248 5.858 6.018 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.583 7.270 6.474 1.00 0.00 C ATOM 696 CD2 LEU A 44 4.761 5.577 6.186 1.00 0.00 C ATOM 0 H LEU A 44 7.613 5.428 2.300 1.00 0.00 H new ATOM 0 HA LEU A 44 8.562 6.683 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.181 6.395 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.307 4.671 4.233 1.00 0.00 H new ATOM 0 HG LEU A 44 6.803 5.159 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.273 7.401 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.658 7.433 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.059 7.989 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.476 5.734 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.189 6.251 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.552 4.545 5.904 1.00 0.00 H new ATOM 708 N ILE A 45 8.824 3.392 4.644 1.00 0.00 N ATOM 709 CA ILE A 45 9.445 2.270 5.340 1.00 0.00 C ATOM 710 C ILE A 45 10.969 2.411 5.372 1.00 0.00 C ATOM 711 O ILE A 45 11.612 2.055 6.356 1.00 0.00 O ATOM 712 CB ILE A 45 9.061 0.920 4.690 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.539 0.740 4.695 1.00 0.00 C ATOM 714 CG2 ILE A 45 9.733 -0.240 5.417 1.00 0.00 C ATOM 715 CD1 ILE A 45 7.074 -0.546 4.040 1.00 0.00 C ATOM 0 H ILE A 45 8.339 3.137 3.784 1.00 0.00 H new ATOM 0 HA ILE A 45 9.069 2.284 6.363 1.00 0.00 H new ATOM 0 HB ILE A 45 9.410 0.926 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.183 0.762 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.081 1.585 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.449 -1.180 4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.815 -0.122 5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.415 -0.249 6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.986 -0.603 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.399 -0.562 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.502 -1.398 4.567 1.00 0.00 H new ATOM 727 N ASN A 46 11.540 2.951 4.306 1.00 0.00 N ATOM 728 CA ASN A 46 12.991 3.087 4.214 1.00 0.00 C ATOM 729 C ASN A 46 13.492 4.331 4.943 1.00 0.00 C ATOM 730 O ASN A 46 14.663 4.404 5.315 1.00 0.00 O ATOM 731 CB ASN A 46 13.445 3.125 2.752 1.00 0.00 C ATOM 732 CG ASN A 46 13.451 1.752 2.102 1.00 0.00 C ATOM 733 OD1 ASN A 46 14.449 1.031 2.150 1.00 0.00 O ATOM 734 ND2 ASN A 46 12.342 1.376 1.484 1.00 0.00 N ATOM 0 H ASN A 46 11.028 3.301 3.496 1.00 0.00 H new ATOM 0 HA ASN A 46 13.423 2.212 4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.786 3.786 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.446 3.552 2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.296 0.464 1.029 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.534 1.998 1.463 1.00 0.00 H new ATOM 741 N THR A 47 12.616 5.301 5.155 1.00 0.00 N ATOM 742 CA THR A 47 13.020 6.553 5.782 1.00 0.00 C ATOM 743 C THR A 47 12.727 6.570 7.280 1.00 0.00 C ATOM 744 O THR A 47 13.571 6.976 8.079 1.00 0.00 O ATOM 745 CB THR A 47 12.334 7.763 5.120 1.00 0.00 C ATOM 746 OG1 THR A 47 10.930 7.516 4.987 1.00 0.00 O ATOM 747 CG2 THR A 47 12.936 8.055 3.753 1.00 0.00 C ATOM 0 H THR A 47 11.628 5.248 4.905 1.00 0.00 H new ATOM 0 HA THR A 47 14.098 6.627 5.639 1.00 0.00 H new ATOM 0 HB THR A 47 12.493 8.633 5.757 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.773 6.924 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.432 8.914 3.310 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.998 8.274 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.809 7.187 3.107 1.00 0.00 H new ATOM 755 N SER A 48 11.536 6.134 7.662 1.00 0.00 N ATOM 756 CA SER A 48 11.124 6.194 9.056 1.00 0.00 C ATOM 757 C SER A 48 11.481 4.912 9.802 1.00 0.00 C ATOM 758 O SER A 48 12.045 4.958 10.896 1.00 0.00 O ATOM 759 CB SER A 48 9.622 6.455 9.143 1.00 0.00 C ATOM 760 OG SER A 48 9.287 7.681 8.513 1.00 0.00 O ATOM 0 H SER A 48 10.841 5.737 7.030 1.00 0.00 H new ATOM 0 HA SER A 48 11.662 7.014 9.532 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.078 5.637 8.670 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.313 6.481 10.188 1.00 0.00 H new ATOM 0 HG SER A 48 8.320 7.829 8.578 1.00 0.00 H new ATOM 766 N ILE A 49 11.162 3.774 9.201 1.00 0.00 N ATOM 767 CA ILE A 49 11.400 2.487 9.834 1.00 0.00 C ATOM 768 C ILE A 49 12.894 2.172 9.843 1.00 0.00 C ATOM 769 O ILE A 49 13.598 2.422 8.861 1.00 0.00 O ATOM 770 CB ILE A 49 10.613 1.339 9.136 1.00 0.00 C ATOM 771 CG1 ILE A 49 9.104 1.448 9.409 1.00 0.00 C ATOM 772 CG2 ILE A 49 11.123 -0.024 9.585 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.419 2.598 8.700 1.00 0.00 C ATOM 0 H ILE A 49 10.738 3.717 8.275 1.00 0.00 H new ATOM 0 HA ILE A 49 11.038 2.555 10.860 1.00 0.00 H new ATOM 0 HB ILE A 49 10.778 1.440 8.063 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.625 0.516 9.109 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.949 1.555 10.483 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.556 -0.808 9.083 1.00 0.00 H new ATOM 0 HG22 ILE A 49 12.179 -0.119 9.331 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.999 -0.121 10.664 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.358 2.599 8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.867 3.540 9.017 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.538 2.484 7.623 1.00 0.00 H new ATOM 785 N ALA A 50 13.376 1.657 10.968 1.00 0.00 N ATOM 786 CA ALA A 50 14.773 1.273 11.103 1.00 0.00 C ATOM 787 C ALA A 50 15.118 0.145 10.137 1.00 0.00 C ATOM 788 O ALA A 50 14.417 -0.863 10.082 1.00 0.00 O ATOM 789 CB ALA A 50 15.065 0.848 12.535 1.00 0.00 C ATOM 0 H ALA A 50 12.814 1.496 11.804 1.00 0.00 H new ATOM 0 HA ALA A 50 15.392 2.136 10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.113 0.563 12.623 1.00 0.00 H new ATOM 0 HB2 ALA A 50 14.856 1.678 13.210 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.435 -0.001 12.798 1.00 0.00 H new ATOM 795 N PRO A 51 16.217 0.294 9.377 1.00 0.00 N ATOM 796 CA PRO A 51 16.635 -0.684 8.360 1.00 0.00 C ATOM 797 C PRO A 51 16.838 -2.083 8.939 1.00 0.00 C ATOM 798 O PRO A 51 16.744 -3.081 8.225 1.00 0.00 O ATOM 799 CB PRO A 51 17.964 -0.126 7.834 1.00 0.00 C ATOM 800 CG PRO A 51 18.402 0.866 8.855 1.00 0.00 C ATOM 801 CD PRO A 51 17.145 1.433 9.444 1.00 0.00 C ATOM 0 HA PRO A 51 15.875 -0.803 7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.703 -0.918 7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.836 0.343 6.859 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.014 0.392 9.623 1.00 0.00 H new ATOM 0 HG3 PRO A 51 19.009 1.650 8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 51 17.295 1.774 10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.780 2.287 8.874 1.00 0.00 H new ATOM 809 N ALA A 52 17.098 -2.143 10.241 1.00 0.00 N ATOM 810 CA ALA A 52 17.297 -3.408 10.936 1.00 0.00 C ATOM 811 C ALA A 52 16.033 -4.260 10.898 1.00 0.00 C ATOM 812 O ALA A 52 16.099 -5.483 10.805 1.00 0.00 O ATOM 813 CB ALA A 52 17.710 -3.153 12.376 1.00 0.00 C ATOM 0 H ALA A 52 17.176 -1.321 10.840 1.00 0.00 H new ATOM 0 HA ALA A 52 18.091 -3.954 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.856 -4.105 12.887 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.641 -2.586 12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.930 -2.585 12.883 1.00 0.00 H new ATOM 819 N GLN A 53 14.887 -3.597 10.944 1.00 0.00 N ATOM 820 CA GLN A 53 13.600 -4.278 10.958 1.00 0.00 C ATOM 821 C GLN A 53 12.750 -3.834 9.775 1.00 0.00 C ATOM 822 O GLN A 53 11.550 -4.093 9.724 1.00 0.00 O ATOM 823 CB GLN A 53 12.871 -3.992 12.270 1.00 0.00 C ATOM 824 CG GLN A 53 12.804 -2.512 12.618 1.00 0.00 C ATOM 825 CD GLN A 53 12.168 -2.259 13.967 1.00 0.00 C ATOM 826 OE1 GLN A 53 12.234 -3.098 14.865 1.00 0.00 O ATOM 827 NE2 GLN A 53 11.558 -1.098 14.126 1.00 0.00 N ATOM 0 H GLN A 53 14.822 -2.579 10.972 1.00 0.00 H new ATOM 0 HA GLN A 53 13.772 -5.351 10.876 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.858 -4.388 12.207 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.372 -4.525 13.078 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.811 -2.095 12.612 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.237 -1.987 11.849 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.525 -0.429 13.356 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.120 -0.870 15.018 1.00 0.00 H new ATOM 836 N ARG A 54 13.400 -3.183 8.821 1.00 0.00 N ATOM 837 CA ARG A 54 12.737 -2.659 7.633 1.00 0.00 C ATOM 838 C ARG A 54 12.004 -3.764 6.882 1.00 0.00 C ATOM 839 O ARG A 54 10.831 -3.623 6.532 1.00 0.00 O ATOM 840 CB ARG A 54 13.779 -1.996 6.730 1.00 0.00 C ATOM 841 CG ARG A 54 13.247 -1.533 5.386 1.00 0.00 C ATOM 842 CD ARG A 54 14.360 -0.949 4.533 1.00 0.00 C ATOM 843 NE ARG A 54 15.458 -1.902 4.334 1.00 0.00 N ATOM 844 CZ ARG A 54 16.501 -1.692 3.531 1.00 0.00 C ATOM 845 NH1 ARG A 54 16.593 -0.574 2.819 1.00 0.00 N ATOM 846 NH2 ARG A 54 17.450 -2.614 3.431 1.00 0.00 N ATOM 0 H ARG A 54 14.404 -3.002 8.848 1.00 0.00 H new ATOM 0 HA ARG A 54 11.995 -1.921 7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.202 -1.139 7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.594 -2.699 6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.786 -2.372 4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.469 -0.785 5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.957 -0.653 3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.745 -0.046 5.008 1.00 0.00 H new ATOM 0 HE ARG A 54 15.421 -2.784 4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.861 0.134 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.395 -0.423 2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.379 -3.479 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.250 -2.458 2.818 1.00 0.00 H new ATOM 860 N GLN A 55 12.696 -4.872 6.660 1.00 0.00 N ATOM 861 CA GLN A 55 12.114 -6.002 5.952 1.00 0.00 C ATOM 862 C GLN A 55 11.031 -6.660 6.801 1.00 0.00 C ATOM 863 O GLN A 55 9.994 -7.075 6.285 1.00 0.00 O ATOM 864 CB GLN A 55 13.206 -7.011 5.572 1.00 0.00 C ATOM 865 CG GLN A 55 12.680 -8.301 4.963 1.00 0.00 C ATOM 866 CD GLN A 55 11.728 -8.075 3.806 1.00 0.00 C ATOM 867 OE1 GLN A 55 11.830 -7.090 3.074 1.00 0.00 O ATOM 868 NE2 GLN A 55 10.786 -8.989 3.643 1.00 0.00 N ATOM 0 H GLN A 55 13.661 -5.012 6.960 1.00 0.00 H new ATOM 0 HA GLN A 55 11.650 -5.642 5.034 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.889 -6.541 4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.786 -7.253 6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.522 -8.902 4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.171 -8.878 5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.738 -9.790 4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.108 -8.893 2.887 1.00 0.00 H new ATOM 877 N ALA A 56 11.262 -6.727 8.105 1.00 0.00 N ATOM 878 CA ALA A 56 10.289 -7.305 9.025 1.00 0.00 C ATOM 879 C ALA A 56 8.972 -6.536 8.989 1.00 0.00 C ATOM 880 O ALA A 56 7.892 -7.129 9.035 1.00 0.00 O ATOM 881 CB ALA A 56 10.851 -7.328 10.436 1.00 0.00 C ATOM 0 H ALA A 56 12.115 -6.388 8.551 1.00 0.00 H new ATOM 0 HA ALA A 56 10.088 -8.328 8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.115 -7.762 11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.761 -7.928 10.456 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.081 -6.311 10.753 1.00 0.00 H new ATOM 887 N ILE A 57 9.065 -5.214 8.904 1.00 0.00 N ATOM 888 CA ILE A 57 7.883 -4.369 8.809 1.00 0.00 C ATOM 889 C ILE A 57 7.203 -4.548 7.456 1.00 0.00 C ATOM 890 O ILE A 57 5.983 -4.693 7.378 1.00 0.00 O ATOM 891 CB ILE A 57 8.232 -2.876 9.022 1.00 0.00 C ATOM 892 CG1 ILE A 57 8.832 -2.663 10.415 1.00 0.00 C ATOM 893 CG2 ILE A 57 7.001 -1.997 8.830 1.00 0.00 C ATOM 894 CD1 ILE A 57 7.918 -3.085 11.545 1.00 0.00 C ATOM 0 H ILE A 57 9.949 -4.705 8.899 1.00 0.00 H new ATOM 0 HA ILE A 57 7.200 -4.677 9.600 1.00 0.00 H new ATOM 0 HB ILE A 57 8.973 -2.588 8.276 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.765 -3.221 10.487 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.081 -1.609 10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.272 -0.953 8.985 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.616 -2.126 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.234 -2.283 9.549 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.412 -2.904 12.500 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.994 -2.509 11.500 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.689 -4.146 11.451 1.00 0.00 H new ATOM 906 N ALA A 58 8.002 -4.562 6.397 1.00 0.00 N ATOM 907 CA ALA A 58 7.480 -4.728 5.046 1.00 0.00 C ATOM 908 C ALA A 58 6.794 -6.078 4.884 1.00 0.00 C ATOM 909 O ALA A 58 5.712 -6.168 4.306 1.00 0.00 O ATOM 910 CB ALA A 58 8.594 -4.585 4.027 1.00 0.00 C ATOM 0 H ALA A 58 9.016 -4.460 6.447 1.00 0.00 H new ATOM 0 HA ALA A 58 6.740 -3.946 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.188 -4.712 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.042 -3.595 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.354 -5.345 4.209 1.00 0.00 H new ATOM 916 N ASN A 59 7.433 -7.122 5.397 1.00 0.00 N ATOM 917 CA ASN A 59 6.886 -8.474 5.334 1.00 0.00 C ATOM 918 C ASN A 59 5.550 -8.526 6.068 1.00 0.00 C ATOM 919 O ASN A 59 4.574 -9.097 5.578 1.00 0.00 O ATOM 920 CB ASN A 59 7.871 -9.469 5.965 1.00 0.00 C ATOM 921 CG ASN A 59 7.595 -10.912 5.575 1.00 0.00 C ATOM 922 OD1 ASN A 59 6.462 -11.293 5.291 1.00 0.00 O ATOM 923 ND2 ASN A 59 8.636 -11.729 5.566 1.00 0.00 N ATOM 0 H ASN A 59 8.337 -7.058 5.865 1.00 0.00 H new ATOM 0 HA ASN A 59 6.730 -8.746 4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.885 -9.206 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.825 -9.377 7.050 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.512 -12.710 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.562 -11.377 5.808 1.00 0.00 H new ATOM 930 N SER A 60 5.514 -7.895 7.236 1.00 0.00 N ATOM 931 CA SER A 60 4.308 -7.835 8.043 1.00 0.00 C ATOM 932 C SER A 60 3.204 -7.073 7.305 1.00 0.00 C ATOM 933 O SER A 60 2.064 -7.529 7.238 1.00 0.00 O ATOM 934 CB SER A 60 4.612 -7.171 9.393 1.00 0.00 C ATOM 935 OG SER A 60 3.490 -7.208 10.259 1.00 0.00 O ATOM 0 H SER A 60 6.315 -7.415 7.645 1.00 0.00 H new ATOM 0 HA SER A 60 3.957 -8.851 8.224 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.454 -7.677 9.866 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.912 -6.136 9.230 1.00 0.00 H new ATOM 0 HG SER A 60 3.719 -6.778 11.110 1.00 0.00 H new ATOM 941 N PHE A 61 3.558 -5.921 6.734 1.00 0.00 N ATOM 942 CA PHE A 61 2.599 -5.097 6.001 1.00 0.00 C ATOM 943 C PHE A 61 2.052 -5.849 4.788 1.00 0.00 C ATOM 944 O PHE A 61 0.866 -5.756 4.472 1.00 0.00 O ATOM 945 CB PHE A 61 3.250 -3.781 5.559 1.00 0.00 C ATOM 946 CG PHE A 61 2.299 -2.824 4.891 1.00 0.00 C ATOM 947 CD1 PHE A 61 1.481 -1.996 5.647 1.00 0.00 C ATOM 948 CD2 PHE A 61 2.223 -2.750 3.508 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.607 -1.116 5.037 1.00 0.00 C ATOM 950 CE2 PHE A 61 1.349 -1.872 2.894 1.00 0.00 C ATOM 951 CZ PHE A 61 0.540 -1.054 3.660 1.00 0.00 C ATOM 0 H PHE A 61 4.503 -5.538 6.766 1.00 0.00 H new ATOM 0 HA PHE A 61 1.768 -4.870 6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.689 -3.294 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.067 -4.004 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.528 -2.040 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.854 -3.385 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.023 -0.477 5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.298 -1.825 1.816 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.143 -0.368 3.182 1.00 0.00 H new ATOM 961 N ALA A 62 2.925 -6.596 4.121 1.00 0.00 N ATOM 962 CA ALA A 62 2.534 -7.398 2.968 1.00 0.00 C ATOM 963 C ALA A 62 1.443 -8.393 3.347 1.00 0.00 C ATOM 964 O ALA A 62 0.430 -8.521 2.656 1.00 0.00 O ATOM 965 CB ALA A 62 3.743 -8.127 2.402 1.00 0.00 C ATOM 0 H ALA A 62 3.914 -6.663 4.361 1.00 0.00 H new ATOM 0 HA ALA A 62 2.136 -6.731 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.439 -8.723 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.494 -7.400 2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.164 -8.781 3.166 1.00 0.00 H new ATOM 971 N ARG A 63 1.645 -9.076 4.464 1.00 0.00 N ATOM 972 CA ARG A 63 0.679 -10.054 4.943 1.00 0.00 C ATOM 973 C ARG A 63 -0.550 -9.373 5.530 1.00 0.00 C ATOM 974 O ARG A 63 -1.658 -9.902 5.444 1.00 0.00 O ATOM 975 CB ARG A 63 1.326 -10.988 5.962 1.00 0.00 C ATOM 976 CG ARG A 63 2.233 -12.021 5.320 1.00 0.00 C ATOM 977 CD ARG A 63 2.913 -12.896 6.355 1.00 0.00 C ATOM 978 NE ARG A 63 3.521 -14.078 5.745 1.00 0.00 N ATOM 979 CZ ARG A 63 4.754 -14.509 6.011 1.00 0.00 C ATOM 980 NH1 ARG A 63 5.529 -13.835 6.854 1.00 0.00 N ATOM 981 NH2 ARG A 63 5.208 -15.614 5.429 1.00 0.00 N ATOM 0 H ARG A 63 2.469 -8.971 5.056 1.00 0.00 H new ATOM 0 HA ARG A 63 0.349 -10.650 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.902 -10.398 6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.546 -11.498 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.650 -12.645 4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.989 -11.517 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.679 -12.319 6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.185 -13.206 7.105 1.00 0.00 H new ATOM 0 HE ARG A 63 2.966 -14.607 5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.181 -12.986 7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.472 -14.167 7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.613 -16.130 4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.151 -15.946 5.631 1.00 0.00 H new ATOM 995 N ALA A 64 -0.359 -8.197 6.113 1.00 0.00 N ATOM 996 CA ALA A 64 -1.473 -7.406 6.619 1.00 0.00 C ATOM 997 C ALA A 64 -2.401 -7.008 5.477 1.00 0.00 C ATOM 998 O ALA A 64 -3.623 -6.980 5.631 1.00 0.00 O ATOM 999 CB ALA A 64 -0.966 -6.172 7.350 1.00 0.00 C ATOM 0 H ALA A 64 0.557 -7.770 6.247 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.035 -8.015 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.813 -5.595 7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.341 -6.477 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.380 -5.559 6.665 1.00 0.00 H new ATOM 1005 N LEU A 65 -1.810 -6.709 4.326 1.00 0.00 N ATOM 1006 CA LEU A 65 -2.573 -6.393 3.124 1.00 0.00 C ATOM 1007 C LEU A 65 -3.394 -7.605 2.684 1.00 0.00 C ATOM 1008 O LEU A 65 -4.572 -7.482 2.347 1.00 0.00 O ATOM 1009 CB LEU A 65 -1.628 -5.960 2.000 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.308 -5.543 0.694 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.132 -4.279 0.898 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.273 -5.340 -0.401 1.00 0.00 C ATOM 0 H LEU A 65 -0.798 -6.679 4.200 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.254 -5.572 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.024 -5.126 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.944 -6.781 1.787 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.983 -6.342 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.607 -3.999 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.898 -4.462 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.481 -3.470 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.773 -5.044 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.574 -4.560 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.730 -6.271 -0.565 1.00 0.00 H new ATOM 1024 N GLN A 66 -2.768 -8.781 2.722 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.431 -10.023 2.318 1.00 0.00 C ATOM 1026 C GLN A 66 -4.519 -10.415 3.316 1.00 0.00 C ATOM 1027 O GLN A 66 -5.358 -11.269 3.033 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.416 -11.164 2.201 1.00 0.00 C ATOM 1029 CG GLN A 66 -1.236 -10.854 1.291 1.00 0.00 C ATOM 1030 CD GLN A 66 -1.640 -10.568 -0.143 1.00 0.00 C ATOM 1031 OE1 GLN A 66 -2.623 -11.108 -0.652 1.00 0.00 O ATOM 1032 NE2 GLN A 66 -0.880 -9.709 -0.803 1.00 0.00 N ATOM 0 H GLN A 66 -1.802 -8.901 3.028 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.891 -9.848 1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.041 -11.406 3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.925 -12.052 1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.697 -9.993 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.545 -11.697 1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.074 -9.284 -0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.100 -9.472 -1.770 1.00 0.00 H new ATOM 1041 N SER A 67 -4.481 -9.801 4.491 1.00 0.00 N ATOM 1042 CA SER A 67 -5.471 -10.060 5.526 1.00 0.00 C ATOM 1043 C SER A 67 -6.604 -9.040 5.451 1.00 0.00 C ATOM 1044 O SER A 67 -7.746 -9.333 5.806 1.00 0.00 O ATOM 1045 CB SER A 67 -4.811 -10.014 6.903 1.00 0.00 C ATOM 1046 OG SER A 67 -3.680 -10.870 6.951 1.00 0.00 O ATOM 0 H SER A 67 -3.771 -9.117 4.751 1.00 0.00 H new ATOM 0 HA SER A 67 -5.890 -11.053 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.509 -8.992 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.530 -10.312 7.666 1.00 0.00 H new ATOM 0 HG SER A 67 -2.923 -10.438 6.503 1.00 0.00 H new ATOM 1052 N SER A 68 -6.278 -7.836 4.989 1.00 0.00 N ATOM 1053 CA SER A 68 -7.272 -6.786 4.824 1.00 0.00 C ATOM 1054 C SER A 68 -8.244 -7.156 3.708 1.00 0.00 C ATOM 1055 O SER A 68 -9.461 -6.966 3.833 1.00 0.00 O ATOM 1056 CB SER A 68 -6.583 -5.455 4.522 1.00 0.00 C ATOM 1057 OG SER A 68 -5.657 -5.119 5.545 1.00 0.00 O ATOM 0 H SER A 68 -5.331 -7.566 4.723 1.00 0.00 H new ATOM 0 HA SER A 68 -7.836 -6.680 5.751 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.066 -5.518 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.330 -4.667 4.430 1.00 0.00 H new ATOM 0 HG SER A 68 -4.884 -5.720 5.497 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.701 -7.693 2.622 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.516 -8.205 1.532 1.00 0.00 C ATOM 1065 C ILE A 69 -9.118 -9.544 1.939 1.00 0.00 C ATOM 1066 O ILE A 69 -8.468 -10.341 2.617 1.00 0.00 O ATOM 1067 CB ILE A 69 -7.692 -8.381 0.235 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -7.025 -7.058 -0.150 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -8.575 -8.884 -0.904 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -6.191 -7.144 -1.408 1.00 0.00 C ATOM 0 H ILE A 69 -6.696 -7.784 2.475 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.305 -7.481 1.331 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.917 -9.125 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.795 -6.299 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.392 -6.727 0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.974 -9.000 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.009 -9.846 -0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.373 -8.166 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.749 -6.170 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.398 -7.879 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.823 -7.445 -2.244 1.00 0.00 H new ATOM 1442 N SER B 8 6.967 8.525 -16.545 1.00 0.00 N ATOM 1443 CA SER B 8 6.686 9.948 -16.388 1.00 0.00 C ATOM 1444 C SER B 8 6.932 10.368 -14.942 1.00 0.00 C ATOM 1445 O SER B 8 6.001 10.704 -14.202 1.00 0.00 O ATOM 1446 CB SER B 8 5.257 10.286 -16.828 1.00 0.00 C ATOM 1447 OG SER B 8 5.017 9.841 -18.156 1.00 0.00 O ATOM 0 HA SER B 8 7.362 10.508 -17.034 1.00 0.00 H new ATOM 0 HB2 SER B 8 4.543 9.819 -16.149 1.00 0.00 H new ATOM 0 HB3 SER B 8 5.098 11.363 -16.767 1.00 0.00 H new ATOM 0 HG SER B 8 5.624 9.102 -18.368 1.00 0.00 H new ATOM 1453 N ASP B 9 8.202 10.344 -14.552 1.00 0.00 N ATOM 1454 CA ASP B 9 8.603 10.597 -13.172 1.00 0.00 C ATOM 1455 C ASP B 9 8.246 12.012 -12.741 1.00 0.00 C ATOM 1456 O ASP B 9 8.046 12.271 -11.557 1.00 0.00 O ATOM 1457 CB ASP B 9 10.108 10.358 -12.994 1.00 0.00 C ATOM 1458 CG ASP B 9 10.957 11.297 -13.828 1.00 0.00 C ATOM 1459 OD1 ASP B 9 11.063 11.074 -15.052 1.00 0.00 O ATOM 1460 OD2 ASP B 9 11.526 12.254 -13.262 1.00 0.00 O ATOM 0 H ASP B 9 8.981 10.149 -15.181 1.00 0.00 H new ATOM 0 HA ASP B 9 8.056 9.900 -12.538 1.00 0.00 H new ATOM 0 HB2 ASP B 9 10.368 10.478 -11.942 1.00 0.00 H new ATOM 0 HB3 ASP B 9 10.342 9.328 -13.264 1.00 0.00 H new ATOM 1465 N GLU B 10 8.145 12.917 -13.705 1.00 0.00 N ATOM 1466 CA GLU B 10 7.753 14.293 -13.424 1.00 0.00 C ATOM 1467 C GLU B 10 6.340 14.335 -12.852 1.00 0.00 C ATOM 1468 O GLU B 10 6.035 15.133 -11.967 1.00 0.00 O ATOM 1469 CB GLU B 10 7.817 15.127 -14.701 1.00 0.00 C ATOM 1470 CG GLU B 10 9.189 15.140 -15.350 1.00 0.00 C ATOM 1471 CD GLU B 10 9.173 15.805 -16.707 1.00 0.00 C ATOM 1472 OE1 GLU B 10 8.843 15.124 -17.700 1.00 0.00 O ATOM 1473 OE2 GLU B 10 9.480 17.010 -16.789 1.00 0.00 O ATOM 0 H GLU B 10 8.329 12.724 -14.689 1.00 0.00 H new ATOM 0 HA GLU B 10 8.444 14.708 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.090 14.739 -15.415 1.00 0.00 H new ATOM 0 HB3 GLU B 10 7.523 16.151 -14.471 1.00 0.00 H new ATOM 0 HG2 GLU B 10 9.891 15.662 -14.700 1.00 0.00 H new ATOM 0 HG3 GLU B 10 9.550 14.117 -15.453 1.00 0.00 H new ATOM 1480 N GLN B 11 5.487 13.450 -13.353 1.00 0.00 N ATOM 1481 CA GLN B 11 4.106 13.389 -12.909 1.00 0.00 C ATOM 1482 C GLN B 11 4.018 12.629 -11.591 1.00 0.00 C ATOM 1483 O GLN B 11 3.281 13.018 -10.686 1.00 0.00 O ATOM 1484 CB GLN B 11 3.237 12.717 -13.975 1.00 0.00 C ATOM 1485 CG GLN B 11 1.746 12.805 -13.694 1.00 0.00 C ATOM 1486 CD GLN B 11 0.913 12.125 -14.763 1.00 0.00 C ATOM 1487 OE1 GLN B 11 1.308 12.053 -15.929 1.00 0.00 O ATOM 1488 NE2 GLN B 11 -0.254 11.635 -14.382 1.00 0.00 N ATOM 0 H GLN B 11 5.731 12.765 -14.068 1.00 0.00 H new ATOM 0 HA GLN B 11 3.737 14.403 -12.754 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.443 13.177 -14.942 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.521 11.668 -14.054 1.00 0.00 H new ATOM 0 HG2 GLN B 11 1.534 12.348 -12.727 1.00 0.00 H new ATOM 0 HG3 GLN B 11 1.454 13.853 -13.622 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.547 11.714 -13.408 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.862 11.178 -15.062 1.00 0.00 H new ATOM 1497 N VAL B 12 4.796 11.556 -11.488 1.00 0.00 N ATOM 1498 CA VAL B 12 4.840 10.748 -10.275 1.00 0.00 C ATOM 1499 C VAL B 12 5.340 11.578 -9.096 1.00 0.00 C ATOM 1500 O VAL B 12 4.724 11.596 -8.033 1.00 0.00 O ATOM 1501 CB VAL B 12 5.756 9.516 -10.448 1.00 0.00 C ATOM 1502 CG1 VAL B 12 5.734 8.643 -9.203 1.00 0.00 C ATOM 1503 CG2 VAL B 12 5.352 8.710 -11.673 1.00 0.00 C ATOM 0 H VAL B 12 5.407 11.225 -12.234 1.00 0.00 H new ATOM 0 HA VAL B 12 3.824 10.405 -10.080 1.00 0.00 H new ATOM 0 HB VAL B 12 6.775 9.874 -10.594 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.387 7.783 -9.350 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.083 9.221 -8.347 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.716 8.299 -9.018 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.011 7.848 -11.775 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.323 8.369 -11.561 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.433 9.335 -12.562 1.00 0.00 H new ATOM 1513 N GLU B 13 6.452 12.273 -9.307 1.00 0.00 N ATOM 1514 CA GLU B 13 7.046 13.117 -8.278 1.00 0.00 C ATOM 1515 C GLU B 13 6.093 14.244 -7.893 1.00 0.00 C ATOM 1516 O GLU B 13 5.956 14.575 -6.717 1.00 0.00 O ATOM 1517 CB GLU B 13 8.374 13.686 -8.780 1.00 0.00 C ATOM 1518 CG GLU B 13 9.101 14.549 -7.769 1.00 0.00 C ATOM 1519 CD GLU B 13 10.409 15.075 -8.311 1.00 0.00 C ATOM 1520 OE1 GLU B 13 10.398 16.116 -8.999 1.00 0.00 O ATOM 1521 OE2 GLU B 13 11.454 14.440 -8.071 1.00 0.00 O ATOM 0 H GLU B 13 6.964 12.268 -10.189 1.00 0.00 H new ATOM 0 HA GLU B 13 7.232 12.513 -7.390 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.024 12.860 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.188 14.276 -9.677 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.464 15.386 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.290 13.969 -6.866 1.00 0.00 H new ATOM 1528 N GLN B 14 5.426 14.813 -8.890 1.00 0.00 N ATOM 1529 CA GLN B 14 4.450 15.872 -8.661 1.00 0.00 C ATOM 1530 C GLN B 14 3.344 15.387 -7.728 1.00 0.00 C ATOM 1531 O GLN B 14 3.014 16.047 -6.742 1.00 0.00 O ATOM 1532 CB GLN B 14 3.863 16.327 -9.997 1.00 0.00 C ATOM 1533 CG GLN B 14 2.829 17.436 -9.884 1.00 0.00 C ATOM 1534 CD GLN B 14 2.326 17.895 -11.241 1.00 0.00 C ATOM 1535 OE1 GLN B 14 1.180 18.324 -11.382 1.00 0.00 O ATOM 1536 NE2 GLN B 14 3.178 17.808 -12.251 1.00 0.00 N ATOM 0 H GLN B 14 5.544 14.557 -9.870 1.00 0.00 H new ATOM 0 HA GLN B 14 4.948 16.717 -8.186 1.00 0.00 H new ATOM 0 HB2 GLN B 14 4.675 16.668 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN B 14 3.405 15.469 -10.490 1.00 0.00 H new ATOM 0 HG2 GLN B 14 1.987 17.086 -9.287 1.00 0.00 H new ATOM 0 HG3 GLN B 14 3.265 18.283 -9.355 1.00 0.00 H new ATOM 0 HE21 GLN B 14 4.119 17.447 -12.095 1.00 0.00 H new ATOM 0 HE22 GLN B 14 2.893 18.102 -13.185 1.00 0.00 H new ATOM 1545 N LEU B 15 2.793 14.217 -8.037 1.00 0.00 N ATOM 1546 CA LEU B 15 1.746 13.618 -7.217 1.00 0.00 C ATOM 1547 C LEU B 15 2.268 13.290 -5.823 1.00 0.00 C ATOM 1548 O LEU B 15 1.618 13.581 -4.819 1.00 0.00 O ATOM 1549 CB LEU B 15 1.215 12.345 -7.881 1.00 0.00 C ATOM 1550 CG LEU B 15 0.543 12.546 -9.240 1.00 0.00 C ATOM 1551 CD1 LEU B 15 0.167 11.206 -9.849 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.689 13.425 -9.096 1.00 0.00 C ATOM 0 H LEU B 15 3.056 13.663 -8.852 1.00 0.00 H new ATOM 0 HA LEU B 15 0.935 14.341 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.043 11.647 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.499 11.875 -7.207 1.00 0.00 H new ATOM 0 HG LEU B 15 1.249 13.043 -9.905 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.310 11.367 -10.816 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.065 10.603 -9.983 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.524 10.686 -9.185 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.156 13.559 -10.072 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.397 12.951 -8.416 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.398 14.397 -8.697 1.00 0.00 H new ATOM 1564 N LEU B 16 3.450 12.688 -5.773 1.00 0.00 N ATOM 1565 CA LEU B 16 4.055 12.283 -4.513 1.00 0.00 C ATOM 1566 C LEU B 16 4.299 13.490 -3.611 1.00 0.00 C ATOM 1567 O LEU B 16 4.019 13.442 -2.414 1.00 0.00 O ATOM 1568 CB LEU B 16 5.372 11.545 -4.773 1.00 0.00 C ATOM 1569 CG LEU B 16 6.062 10.978 -3.531 1.00 0.00 C ATOM 1570 CD1 LEU B 16 5.182 9.934 -2.861 1.00 0.00 C ATOM 1571 CD2 LEU B 16 7.412 10.384 -3.901 1.00 0.00 C ATOM 0 H LEU B 16 4.010 12.469 -6.597 1.00 0.00 H new ATOM 0 HA LEU B 16 3.364 11.611 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.179 10.726 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.060 12.229 -5.270 1.00 0.00 H new ATOM 0 HG LEU B 16 6.225 11.791 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.689 9.542 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU B 16 4.238 10.391 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU B 16 4.987 9.120 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU B 16 7.891 9.985 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU B 16 7.270 9.582 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU B 16 8.044 11.159 -4.336 1.00 0.00 H new ATOM 1583 N ALA B 17 4.808 14.570 -4.196 1.00 0.00 N ATOM 1584 CA ALA B 17 5.095 15.788 -3.449 1.00 0.00 C ATOM 1585 C ALA B 17 3.835 16.337 -2.795 1.00 0.00 C ATOM 1586 O ALA B 17 3.853 16.721 -1.623 1.00 0.00 O ATOM 1587 CB ALA B 17 5.718 16.834 -4.360 1.00 0.00 C ATOM 0 H ALA B 17 5.031 14.625 -5.190 1.00 0.00 H new ATOM 0 HA ALA B 17 5.806 15.542 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.926 17.738 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.647 16.446 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA B 17 5.027 17.069 -5.170 1.00 0.00 H new ATOM 1593 N GLU B 18 2.740 16.357 -3.550 1.00 0.00 N ATOM 1594 CA GLU B 18 1.464 16.824 -3.026 1.00 0.00 C ATOM 1595 C GLU B 18 1.002 15.945 -1.868 1.00 0.00 C ATOM 1596 O GLU B 18 0.563 16.450 -0.834 1.00 0.00 O ATOM 1597 CB GLU B 18 0.395 16.848 -4.124 1.00 0.00 C ATOM 1598 CG GLU B 18 0.640 17.898 -5.197 1.00 0.00 C ATOM 1599 CD GLU B 18 -0.515 18.020 -6.172 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -1.615 18.436 -5.750 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -0.327 17.728 -7.369 1.00 0.00 O ATOM 0 H GLU B 18 2.712 16.056 -4.524 1.00 0.00 H new ATOM 0 HA GLU B 18 1.607 17.841 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.348 15.866 -4.594 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.578 17.029 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.812 18.864 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.548 17.646 -5.745 1.00 0.00 H new ATOM 1608 N LEU B 19 1.122 14.635 -2.041 1.00 0.00 N ATOM 1609 CA LEU B 19 0.737 13.685 -1.002 1.00 0.00 C ATOM 1610 C LEU B 19 1.563 13.893 0.262 1.00 0.00 C ATOM 1611 O LEU B 19 1.012 14.029 1.355 1.00 0.00 O ATOM 1612 CB LEU B 19 0.906 12.248 -1.499 1.00 0.00 C ATOM 1613 CG LEU B 19 0.003 11.854 -2.669 1.00 0.00 C ATOM 1614 CD1 LEU B 19 0.298 10.429 -3.107 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -1.462 12.004 -2.286 1.00 0.00 C ATOM 0 H LEU B 19 1.483 14.204 -2.892 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.312 13.859 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.944 12.103 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.715 11.568 -0.669 1.00 0.00 H new ATOM 0 HG LEU B 19 0.208 12.522 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.352 10.163 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.339 10.353 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU B 19 0.119 9.748 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.090 11.719 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -1.684 11.359 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -1.664 13.041 -2.017 1.00 0.00 H new ATOM 1627 N LEU B 20 2.882 13.937 0.106 1.00 0.00 N ATOM 1628 CA LEU B 20 3.787 14.103 1.242 1.00 0.00 C ATOM 1629 C LEU B 20 3.486 15.391 2.000 1.00 0.00 C ATOM 1630 O LEU B 20 3.522 15.418 3.230 1.00 0.00 O ATOM 1631 CB LEU B 20 5.245 14.106 0.777 1.00 0.00 C ATOM 1632 CG LEU B 20 5.729 12.815 0.113 1.00 0.00 C ATOM 1633 CD1 LEU B 20 7.175 12.960 -0.339 1.00 0.00 C ATOM 1634 CD2 LEU B 20 5.587 11.635 1.064 1.00 0.00 C ATOM 0 H LEU B 20 3.350 13.860 -0.797 1.00 0.00 H new ATOM 0 HA LEU B 20 3.630 13.259 1.914 1.00 0.00 H new ATOM 0 HB2 LEU B 20 5.382 14.928 0.075 1.00 0.00 H new ATOM 0 HB3 LEU B 20 5.882 14.312 1.637 1.00 0.00 H new ATOM 0 HG LEU B 20 5.108 12.627 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU B 20 7.504 12.033 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU B 20 7.252 13.778 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU B 20 7.806 13.173 0.524 1.00 0.00 H new ATOM 0 HD21 LEU B 20 5.937 10.727 0.572 1.00 0.00 H new ATOM 0 HD22 LEU B 20 6.183 11.815 1.959 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.540 11.516 1.343 1.00 0.00 H new ATOM 1646 N ASN B 21 3.180 16.452 1.258 1.00 0.00 N ATOM 1647 CA ASN B 21 2.857 17.743 1.858 1.00 0.00 C ATOM 1648 C ASN B 21 1.586 17.653 2.702 1.00 0.00 C ATOM 1649 O ASN B 21 1.503 18.249 3.775 1.00 0.00 O ATOM 1650 CB ASN B 21 2.707 18.818 0.773 1.00 0.00 C ATOM 1651 CG ASN B 21 2.288 20.166 1.334 1.00 0.00 C ATOM 1652 OD1 ASN B 21 3.124 20.948 1.792 1.00 0.00 O ATOM 1653 ND2 ASN B 21 0.999 20.462 1.272 1.00 0.00 N ATOM 0 H ASN B 21 3.149 16.443 0.239 1.00 0.00 H new ATOM 0 HA ASN B 21 3.680 18.025 2.515 1.00 0.00 H new ATOM 0 HB2 ASN B 21 3.654 18.928 0.244 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.969 18.489 0.041 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.666 21.365 1.610 1.00 0.00 H new ATOM 0 HD22 ASN B 21 0.339 19.787 0.886 1.00 0.00 H new ATOM 1660 N VAL B 22 0.605 16.890 2.227 1.00 0.00 N ATOM 1661 CA VAL B 22 -0.635 16.692 2.972 1.00 0.00 C ATOM 1662 C VAL B 22 -0.363 15.963 4.283 1.00 0.00 C ATOM 1663 O VAL B 22 -0.824 16.382 5.346 1.00 0.00 O ATOM 1664 CB VAL B 22 -1.681 15.900 2.152 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -2.922 15.613 2.987 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.062 16.661 0.894 1.00 0.00 C ATOM 0 H VAL B 22 0.644 16.400 1.333 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.042 17.681 3.181 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.232 14.950 1.864 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.642 15.055 2.388 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.644 15.025 3.861 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.369 16.553 3.310 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -2.798 16.088 0.331 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -2.486 17.627 1.168 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.175 16.815 0.279 1.00 0.00 H new ATOM 1676 N LEU B 23 0.410 14.888 4.206 1.00 0.00 N ATOM 1677 CA LEU B 23 0.750 14.100 5.387 1.00 0.00 C ATOM 1678 C LEU B 23 1.603 14.915 6.357 1.00 0.00 C ATOM 1679 O LEU B 23 1.559 14.703 7.570 1.00 0.00 O ATOM 1680 CB LEU B 23 1.491 12.813 4.994 1.00 0.00 C ATOM 1681 CG LEU B 23 0.611 11.637 4.537 1.00 0.00 C ATOM 1682 CD1 LEU B 23 -0.334 11.211 5.647 1.00 0.00 C ATOM 1683 CD2 LEU B 23 -0.173 11.986 3.285 1.00 0.00 C ATOM 0 H LEU B 23 0.815 14.540 3.337 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.182 13.828 5.883 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.189 13.051 4.192 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.085 12.485 5.847 1.00 0.00 H new ATOM 0 HG LEU B 23 1.272 10.804 4.300 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -0.947 10.378 5.303 1.00 0.00 H new ATOM 0 HD12 LEU B 23 0.244 10.901 6.518 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -0.978 12.048 5.918 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.784 11.133 2.989 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.817 12.842 3.486 1.00 0.00 H new ATOM 0 HD23 LEU B 23 0.519 12.233 2.480 1.00 0.00 H new ATOM 1695 N GLU B 24 2.373 15.852 5.819 1.00 0.00 N ATOM 1696 CA GLU B 24 3.235 16.691 6.636 1.00 0.00 C ATOM 1697 C GLU B 24 2.424 17.782 7.328 1.00 0.00 C ATOM 1698 O GLU B 24 2.451 17.903 8.550 1.00 0.00 O ATOM 1699 CB GLU B 24 4.332 17.326 5.779 1.00 0.00 C ATOM 1700 CG GLU B 24 5.452 17.943 6.597 1.00 0.00 C ATOM 1701 CD GLU B 24 6.275 16.895 7.309 1.00 0.00 C ATOM 1702 OE1 GLU B 24 7.259 16.407 6.712 1.00 0.00 O ATOM 1703 OE2 GLU B 24 5.938 16.544 8.461 1.00 0.00 O ATOM 0 H GLU B 24 2.417 16.049 4.819 1.00 0.00 H new ATOM 0 HA GLU B 24 3.698 16.062 7.396 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.750 16.568 5.117 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.889 18.094 5.145 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.098 18.529 5.943 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.030 18.632 7.329 1.00 0.00 H new ATOM 1710 N LYS B 25 1.685 18.551 6.536 1.00 0.00 N ATOM 1711 CA LYS B 25 0.906 19.673 7.052 1.00 0.00 C ATOM 1712 C LYS B 25 -0.186 19.199 8.010 1.00 0.00 C ATOM 1713 O LYS B 25 -0.521 19.885 8.976 1.00 0.00 O ATOM 1714 CB LYS B 25 0.280 20.455 5.895 1.00 0.00 C ATOM 1715 CG LYS B 25 -0.513 21.677 6.341 1.00 0.00 C ATOM 1716 CD LYS B 25 -1.176 22.376 5.167 1.00 0.00 C ATOM 1717 CE LYS B 25 -2.181 21.472 4.473 1.00 0.00 C ATOM 1718 NZ LYS B 25 -2.861 22.166 3.354 1.00 0.00 N ATOM 0 H LYS B 25 1.608 18.417 5.528 1.00 0.00 H new ATOM 0 HA LYS B 25 1.583 20.324 7.605 1.00 0.00 H new ATOM 0 HB2 LYS B 25 1.069 20.774 5.214 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -0.377 19.791 5.333 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -1.273 21.374 7.061 1.00 0.00 H new ATOM 0 HG3 LYS B 25 0.150 22.375 6.852 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.678 23.278 5.516 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -0.415 22.691 4.453 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -1.673 20.585 4.096 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.923 21.131 5.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -3.539 21.518 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -3.367 22.999 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -2.155 22.469 2.653 1.00 0.00 H new ATOM 1732 N HIS B 26 -0.752 18.031 7.736 1.00 0.00 N ATOM 1733 CA HIS B 26 -1.823 17.507 8.574 1.00 0.00 C ATOM 1734 C HIS B 26 -1.252 16.669 9.712 1.00 0.00 C ATOM 1735 O HIS B 26 -1.916 16.457 10.725 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.800 16.674 7.745 1.00 0.00 C ATOM 1737 CG HIS B 26 -4.187 16.645 8.308 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -4.606 15.741 9.261 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -5.264 17.416 8.029 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -5.876 15.955 9.539 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -6.298 16.965 8.807 1.00 0.00 N ATOM 0 H HIS B 26 -0.492 17.435 6.950 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.363 18.352 9.000 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.836 17.073 6.731 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.424 15.653 7.673 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -5.301 18.234 7.325 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.470 15.397 10.247 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -7.243 17.350 8.817 1.00 0.00 H new ATOM 1750 N LYS B 27 -0.015 16.209 9.521 1.00 0.00 N ATOM 1751 CA LYS B 27 0.708 15.417 10.517 1.00 0.00 C ATOM 1752 C LYS B 27 0.054 14.066 10.768 1.00 0.00 C ATOM 1753 O LYS B 27 -0.933 13.954 11.496 1.00 0.00 O ATOM 1754 CB LYS B 27 0.862 16.178 11.833 1.00 0.00 C ATOM 1755 CG LYS B 27 1.762 17.392 11.727 1.00 0.00 C ATOM 1756 CD LYS B 27 2.003 18.013 13.087 1.00 0.00 C ATOM 1757 CE LYS B 27 2.980 19.170 12.996 1.00 0.00 C ATOM 1758 NZ LYS B 27 3.322 19.709 14.337 1.00 0.00 N ATOM 0 H LYS B 27 0.516 16.376 8.667 1.00 0.00 H new ATOM 0 HA LYS B 27 1.699 15.235 10.101 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.122 16.494 12.178 1.00 0.00 H new ATOM 0 HB3 LYS B 27 1.263 15.503 12.589 1.00 0.00 H new ATOM 0 HG2 LYS B 27 2.714 17.105 11.281 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.308 18.128 11.063 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.058 18.363 13.502 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.392 17.258 13.771 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.889 18.839 12.494 1.00 0.00 H new ATOM 0 HE3 LYS B 27 2.549 19.963 12.385 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 3.992 20.498 14.234 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 2.458 20.048 14.806 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 3.757 18.959 14.912 1.00 0.00 H new ATOM 1772 N ALA B 28 0.609 13.041 10.147 1.00 0.00 N ATOM 1773 CA ALA B 28 0.171 11.678 10.381 1.00 0.00 C ATOM 1774 C ALA B 28 1.375 10.786 10.651 1.00 0.00 C ATOM 1775 O ALA B 28 2.210 10.577 9.770 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.631 11.157 9.197 1.00 0.00 C ATOM 0 H ALA B 28 1.369 13.129 9.472 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.479 11.665 11.256 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.949 10.133 9.395 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.508 11.787 9.046 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.011 11.177 8.301 1.00 0.00 H new ATOM 1782 N PRO B 29 1.505 10.294 11.894 1.00 0.00 N ATOM 1783 CA PRO B 29 2.578 9.366 12.275 1.00 0.00 C ATOM 1784 C PRO B 29 2.529 8.062 11.480 1.00 0.00 C ATOM 1785 O PRO B 29 1.547 7.785 10.785 1.00 0.00 O ATOM 1786 CB PRO B 29 2.327 9.104 13.764 1.00 0.00 C ATOM 1787 CG PRO B 29 0.920 9.532 14.015 1.00 0.00 C ATOM 1788 CD PRO B 29 0.630 10.623 13.029 1.00 0.00 C ATOM 0 HA PRO B 29 3.564 9.784 12.071 1.00 0.00 H new ATOM 0 HB2 PRO B 29 2.465 8.050 14.005 1.00 0.00 H new ATOM 0 HB3 PRO B 29 3.025 9.667 14.384 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.231 8.698 13.885 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.799 9.890 15.037 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.420 10.633 12.738 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.856 11.607 13.440 1.00 0.00 H new ATOM 1796 N THR B 30 3.583 7.263 11.602 1.00 0.00 N ATOM 1797 CA THR B 30 3.746 6.055 10.801 1.00 0.00 C ATOM 1798 C THR B 30 2.580 5.080 10.984 1.00 0.00 C ATOM 1799 O THR B 30 1.975 4.637 10.010 1.00 0.00 O ATOM 1800 CB THR B 30 5.068 5.351 11.155 1.00 0.00 C ATOM 1801 OG1 THR B 30 6.135 6.307 11.141 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.374 4.232 10.170 1.00 0.00 C ATOM 0 H THR B 30 4.346 7.433 12.257 1.00 0.00 H new ATOM 0 HA THR B 30 3.763 6.364 9.756 1.00 0.00 H new ATOM 0 HB THR B 30 4.971 4.915 12.149 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.977 5.860 11.368 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.313 3.752 10.445 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.570 3.496 10.194 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.458 4.645 9.165 1.00 0.00 H new ATOM 1810 N ASP B 31 2.261 4.765 12.232 1.00 0.00 N ATOM 1811 CA ASP B 31 1.186 3.822 12.531 1.00 0.00 C ATOM 1812 C ASP B 31 -0.154 4.328 11.993 1.00 0.00 C ATOM 1813 O ASP B 31 -0.929 3.568 11.411 1.00 0.00 O ATOM 1814 CB ASP B 31 1.112 3.585 14.044 1.00 0.00 C ATOM 1815 CG ASP B 31 0.081 2.544 14.440 1.00 0.00 C ATOM 1816 OD1 ASP B 31 -0.147 1.589 13.665 1.00 0.00 O ATOM 1817 OD2 ASP B 31 -0.485 2.661 15.550 1.00 0.00 O ATOM 0 H ASP B 31 2.729 5.147 13.054 1.00 0.00 H new ATOM 0 HA ASP B 31 1.403 2.876 12.035 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.092 3.271 14.404 1.00 0.00 H new ATOM 0 HB3 ASP B 31 0.877 4.526 14.541 1.00 0.00 H new ATOM 1822 N LEU B 32 -0.407 5.622 12.168 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.647 6.232 11.695 1.00 0.00 C ATOM 1824 C LEU B 32 -1.734 6.207 10.169 1.00 0.00 C ATOM 1825 O LEU B 32 -2.764 5.830 9.606 1.00 0.00 O ATOM 1826 CB LEU B 32 -1.762 7.675 12.201 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.016 8.433 11.744 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.277 7.773 12.285 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -2.945 9.889 12.183 1.00 0.00 C ATOM 0 H LEU B 32 0.230 6.269 12.634 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.476 5.646 12.093 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.742 7.663 13.291 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -0.883 8.229 11.872 1.00 0.00 H new ATOM 0 HG LEU B 32 -3.057 8.399 10.655 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -5.152 8.329 11.947 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.336 6.747 11.921 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.247 7.770 13.375 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.841 10.413 11.851 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.877 9.938 13.270 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.066 10.359 11.743 1.00 0.00 H new ATOM 1841 N SER B 33 -0.653 6.598 9.503 1.00 0.00 N ATOM 1842 CA SER B 33 -0.647 6.672 8.048 1.00 0.00 C ATOM 1843 C SER B 33 -0.785 5.284 7.425 1.00 0.00 C ATOM 1844 O SER B 33 -1.453 5.122 6.402 1.00 0.00 O ATOM 1845 CB SER B 33 0.621 7.375 7.552 1.00 0.00 C ATOM 1846 OG SER B 33 1.776 6.875 8.200 1.00 0.00 O ATOM 0 H SER B 33 0.226 6.867 9.945 1.00 0.00 H new ATOM 0 HA SER B 33 -1.509 7.261 7.734 1.00 0.00 H new ATOM 0 HB2 SER B 33 0.718 7.237 6.475 1.00 0.00 H new ATOM 0 HB3 SER B 33 0.538 8.447 7.730 1.00 0.00 H new ATOM 0 HG SER B 33 1.849 7.274 9.092 1.00 0.00 H new ATOM 1852 N LEU B 34 -0.176 4.282 8.055 1.00 0.00 N ATOM 1853 CA LEU B 34 -0.284 2.906 7.583 1.00 0.00 C ATOM 1854 C LEU B 34 -1.724 2.416 7.667 1.00 0.00 C ATOM 1855 O LEU B 34 -2.183 1.662 6.809 1.00 0.00 O ATOM 1856 CB LEU B 34 0.630 1.976 8.387 1.00 0.00 C ATOM 1857 CG LEU B 34 2.132 2.208 8.194 1.00 0.00 C ATOM 1858 CD1 LEU B 34 2.930 1.232 9.043 1.00 0.00 C ATOM 1859 CD2 LEU B 34 2.514 2.071 6.727 1.00 0.00 C ATOM 0 H LEU B 34 0.396 4.398 8.892 1.00 0.00 H new ATOM 0 HA LEU B 34 0.033 2.889 6.540 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.395 2.088 9.445 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.401 0.945 8.117 1.00 0.00 H new ATOM 0 HG LEU B 34 2.367 3.223 8.515 1.00 0.00 H new ATOM 0 HD11 LEU B 34 3.995 1.408 8.896 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.680 1.376 10.094 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.687 0.211 8.749 1.00 0.00 H new ATOM 0 HD21 LEU B 34 3.585 2.240 6.613 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.265 1.069 6.378 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.966 2.806 6.138 1.00 0.00 H new ATOM 1871 N MET B 35 -2.439 2.853 8.701 1.00 0.00 N ATOM 1872 CA MET B 35 -3.845 2.501 8.859 1.00 0.00 C ATOM 1873 C MET B 35 -4.669 3.069 7.709 1.00 0.00 C ATOM 1874 O MET B 35 -5.482 2.366 7.105 1.00 0.00 O ATOM 1875 CB MET B 35 -4.393 3.022 10.190 1.00 0.00 C ATOM 1876 CG MET B 35 -3.782 2.358 11.412 1.00 0.00 C ATOM 1877 SD MET B 35 -4.109 0.586 11.480 1.00 0.00 S ATOM 1878 CE MET B 35 -5.896 0.572 11.621 1.00 0.00 C ATOM 0 H MET B 35 -2.067 3.450 9.440 1.00 0.00 H new ATOM 0 HA MET B 35 -3.920 1.414 8.851 1.00 0.00 H new ATOM 0 HB2 MET B 35 -4.218 4.096 10.247 1.00 0.00 H new ATOM 0 HB3 MET B 35 -5.473 2.873 10.210 1.00 0.00 H new ATOM 0 HG2 MET B 35 -2.705 2.524 11.410 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.176 2.830 12.312 1.00 0.00 H new ATOM 0 HE1 MET B 35 -6.223 -0.394 12.006 1.00 0.00 H new ATOM 0 HE2 MET B 35 -6.213 1.360 12.303 1.00 0.00 H new ATOM 0 HE3 MET B 35 -6.340 0.741 10.640 1.00 0.00 H new ATOM 1888 N VAL B 36 -4.438 4.339 7.402 1.00 0.00 N ATOM 1889 CA VAL B 36 -5.157 5.012 6.329 1.00 0.00 C ATOM 1890 C VAL B 36 -4.806 4.401 4.974 1.00 0.00 C ATOM 1891 O VAL B 36 -5.689 3.973 4.233 1.00 0.00 O ATOM 1892 CB VAL B 36 -4.849 6.525 6.304 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -5.637 7.221 5.204 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -5.147 7.153 7.657 1.00 0.00 C ATOM 0 H VAL B 36 -3.756 4.925 7.883 1.00 0.00 H new ATOM 0 HA VAL B 36 -6.221 4.876 6.521 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.788 6.652 6.092 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -5.403 8.286 5.207 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -5.369 6.793 4.238 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -6.704 7.084 5.378 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -4.924 8.219 7.620 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -6.200 7.011 7.900 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.531 6.680 8.421 1.00 0.00 H new ATOM 1904 N LEU B 37 -3.512 4.339 4.671 1.00 0.00 N ATOM 1905 CA LEU B 37 -3.042 3.806 3.393 1.00 0.00 C ATOM 1906 C LEU B 37 -3.439 2.344 3.226 1.00 0.00 C ATOM 1907 O LEU B 37 -3.811 1.921 2.136 1.00 0.00 O ATOM 1908 CB LEU B 37 -1.521 3.944 3.282 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.993 5.382 3.267 1.00 0.00 C ATOM 1910 CD1 LEU B 37 0.528 5.392 3.258 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -1.537 6.139 2.063 1.00 0.00 C ATOM 0 H LEU B 37 -2.768 4.652 5.294 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.514 4.385 2.599 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -1.063 3.415 4.118 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.193 3.445 2.370 1.00 0.00 H new ATOM 0 HG LEU B 37 -1.336 5.883 4.172 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.885 6.422 3.247 1.00 0.00 H new ATOM 0 HD12 LEU B 37 0.900 4.888 4.150 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.890 4.873 2.370 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.151 7.158 2.069 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.224 5.638 1.147 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.626 6.163 2.110 1.00 0.00 H new ATOM 1923 N GLY B 38 -3.365 1.586 4.311 1.00 0.00 N ATOM 1924 CA GLY B 38 -3.740 0.186 4.270 1.00 0.00 C ATOM 1925 C GLY B 38 -5.170 -0.009 3.814 1.00 0.00 C ATOM 1926 O GLY B 38 -5.436 -0.788 2.898 1.00 0.00 O ATOM 0 H GLY B 38 -3.051 1.917 5.223 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -3.070 -0.349 3.597 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -3.613 -0.252 5.260 1.00 0.00 H new ATOM 1930 N ASN B 39 -6.092 0.715 4.437 1.00 0.00 N ATOM 1931 CA ASN B 39 -7.499 0.650 4.056 1.00 0.00 C ATOM 1932 C ASN B 39 -7.707 1.257 2.673 1.00 0.00 C ATOM 1933 O ASN B 39 -8.516 0.770 1.884 1.00 0.00 O ATOM 1934 CB ASN B 39 -8.378 1.378 5.081 1.00 0.00 C ATOM 1935 CG ASN B 39 -8.607 0.576 6.351 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -9.560 -0.196 6.443 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -7.747 0.761 7.344 1.00 0.00 N ATOM 0 H ASN B 39 -5.892 1.353 5.207 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.791 -0.400 4.031 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.912 2.329 5.339 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -9.341 1.608 4.626 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.864 0.254 8.221 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -6.968 1.410 7.230 1.00 0.00 H new ATOM 1944 N MET B 40 -6.953 2.313 2.390 1.00 0.00 N ATOM 1945 CA MET B 40 -7.036 3.021 1.117 1.00 0.00 C ATOM 1946 C MET B 40 -6.692 2.092 -0.048 1.00 0.00 C ATOM 1947 O MET B 40 -7.514 1.879 -0.943 1.00 0.00 O ATOM 1948 CB MET B 40 -6.093 4.233 1.151 1.00 0.00 C ATOM 1949 CG MET B 40 -6.225 5.189 -0.025 1.00 0.00 C ATOM 1950 SD MET B 40 -5.464 4.566 -1.535 1.00 0.00 S ATOM 1951 CE MET B 40 -5.601 6.005 -2.584 1.00 0.00 C ATOM 0 H MET B 40 -6.267 2.703 3.036 1.00 0.00 H new ATOM 0 HA MET B 40 -8.058 3.368 0.965 1.00 0.00 H new ATOM 0 HB2 MET B 40 -6.273 4.788 2.072 1.00 0.00 H new ATOM 0 HB3 MET B 40 -5.065 3.873 1.192 1.00 0.00 H new ATOM 0 HG2 MET B 40 -7.281 5.382 -0.211 1.00 0.00 H new ATOM 0 HG3 MET B 40 -5.768 6.143 0.238 1.00 0.00 H new ATOM 0 HE1 MET B 40 -5.550 5.700 -3.629 1.00 0.00 H new ATOM 0 HE2 MET B 40 -6.553 6.502 -2.397 1.00 0.00 H new ATOM 0 HE3 MET B 40 -4.784 6.693 -2.367 1.00 0.00 H new ATOM 1961 N VAL B 41 -5.491 1.521 -0.014 1.00 0.00 N ATOM 1962 CA VAL B 41 -5.022 0.650 -1.087 1.00 0.00 C ATOM 1963 C VAL B 41 -5.915 -0.581 -1.218 1.00 0.00 C ATOM 1964 O VAL B 41 -6.272 -0.981 -2.325 1.00 0.00 O ATOM 1965 CB VAL B 41 -3.558 0.208 -0.861 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -3.086 -0.715 -1.977 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -2.644 1.421 -0.755 1.00 0.00 C ATOM 0 H VAL B 41 -4.824 1.646 0.747 1.00 0.00 H new ATOM 0 HA VAL B 41 -5.069 1.226 -2.011 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.515 -0.345 0.077 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -2.053 -1.010 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.718 -1.603 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -3.149 -0.193 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -1.618 1.090 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -2.700 2.000 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.959 2.042 0.084 1.00 0.00 H new ATOM 1977 N THR B 42 -6.293 -1.160 -0.082 1.00 0.00 N ATOM 1978 CA THR B 42 -7.169 -2.324 -0.073 1.00 0.00 C ATOM 1979 C THR B 42 -8.503 -2.005 -0.748 1.00 0.00 C ATOM 1980 O THR B 42 -8.962 -2.747 -1.616 1.00 0.00 O ATOM 1981 CB THR B 42 -7.422 -2.821 1.365 1.00 0.00 C ATOM 1982 OG1 THR B 42 -6.177 -3.158 1.988 1.00 0.00 O ATOM 1983 CG2 THR B 42 -8.334 -4.037 1.372 1.00 0.00 C ATOM 0 H THR B 42 -6.006 -0.841 0.843 1.00 0.00 H new ATOM 0 HA THR B 42 -6.667 -3.114 -0.632 1.00 0.00 H new ATOM 0 HB THR B 42 -7.909 -2.019 1.919 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.888 -2.418 2.562 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.495 -4.365 2.399 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.291 -3.777 0.920 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.871 -4.842 0.802 1.00 0.00 H new ATOM 1991 N ASN B 43 -9.107 -0.886 -0.362 1.00 0.00 N ATOM 1992 CA ASN B 43 -10.383 -0.463 -0.932 1.00 0.00 C ATOM 1993 C ASN B 43 -10.244 -0.202 -2.431 1.00 0.00 C ATOM 1994 O ASN B 43 -11.134 -0.538 -3.214 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.887 0.791 -0.211 1.00 0.00 C ATOM 1996 CG ASN B 43 -12.229 1.283 -0.728 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -13.049 0.504 -1.216 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -12.472 2.577 -0.590 1.00 0.00 N ATOM 0 H ASN B 43 -8.733 -0.253 0.345 1.00 0.00 H new ATOM 0 HA ASN B 43 -11.110 -1.263 -0.795 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -10.971 0.580 0.855 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -10.149 1.586 -0.321 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -13.366 2.963 -0.893 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -11.765 3.188 -0.181 1.00 0.00 H new ATOM 2005 N LEU B 44 -9.114 0.381 -2.822 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.834 0.662 -4.227 1.00 0.00 C ATOM 2007 C LEU B 44 -8.767 -0.636 -5.036 1.00 0.00 C ATOM 2008 O LEU B 44 -9.390 -0.754 -6.093 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.515 1.433 -4.361 1.00 0.00 C ATOM 2010 CG LEU B 44 -7.136 1.838 -5.787 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -8.154 2.814 -6.359 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -5.739 2.439 -5.812 1.00 0.00 C ATOM 0 H LEU B 44 -8.374 0.669 -2.182 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.645 1.274 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.576 2.333 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.712 0.821 -3.949 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.138 0.945 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.865 3.089 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.138 2.345 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.190 3.709 -5.737 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.483 2.722 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.711 3.321 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -5.020 1.705 -5.448 1.00 0.00 H new ATOM 2024 N ILE B 45 -8.021 -1.610 -4.525 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.894 -2.906 -5.186 1.00 0.00 C ATOM 2026 C ILE B 45 -9.243 -3.622 -5.232 1.00 0.00 C ATOM 2027 O ILE B 45 -9.599 -4.230 -6.241 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.852 -3.805 -4.478 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.476 -3.134 -4.492 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.781 -5.173 -5.146 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -4.403 -3.921 -3.770 1.00 0.00 C ATOM 0 H ILE B 45 -7.495 -1.527 -3.655 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.551 -2.719 -6.204 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.163 -3.944 -3.443 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.167 -2.982 -5.526 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.559 -2.148 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.043 -5.790 -4.634 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.757 -5.655 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.492 -5.053 -6.190 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.458 -3.381 -3.824 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.688 -4.051 -2.726 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.290 -4.898 -4.240 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.996 -3.523 -4.141 1.00 0.00 N ATOM 2044 CA ASN B 46 -11.304 -4.167 -4.045 1.00 0.00 C ATOM 2045 C ASN B 46 -12.283 -3.616 -5.076 1.00 0.00 C ATOM 2046 O ASN B 46 -13.138 -4.347 -5.577 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.907 -3.994 -2.646 1.00 0.00 C ATOM 2048 CG ASN B 46 -11.254 -4.874 -1.602 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -10.752 -5.955 -1.902 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -11.275 -4.421 -0.357 1.00 0.00 N ATOM 0 H ASN B 46 -9.723 -3.002 -3.308 1.00 0.00 H new ATOM 0 HA ASN B 46 -11.142 -5.227 -4.243 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.813 -2.951 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -12.973 -4.219 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -10.864 -4.975 0.394 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -11.702 -3.518 -0.150 1.00 0.00 H new ATOM 2057 N THR B 47 -12.157 -2.335 -5.392 1.00 0.00 N ATOM 2058 CA THR B 47 -13.115 -1.673 -6.263 1.00 0.00 C ATOM 2059 C THR B 47 -12.668 -1.661 -7.726 1.00 0.00 C ATOM 2060 O THR B 47 -13.362 -2.191 -8.596 1.00 0.00 O ATOM 2061 CB THR B 47 -13.382 -0.229 -5.797 1.00 0.00 C ATOM 2062 OG1 THR B 47 -12.142 0.428 -5.502 1.00 0.00 O ATOM 2063 CG2 THR B 47 -14.278 -0.209 -4.569 1.00 0.00 C ATOM 0 H THR B 47 -11.402 -1.735 -5.059 1.00 0.00 H new ATOM 0 HA THR B 47 -14.036 -2.253 -6.198 1.00 0.00 H new ATOM 0 HB THR B 47 -13.891 0.299 -6.603 1.00 0.00 H new ATOM 0 HG1 THR B 47 -11.816 0.133 -4.626 1.00 0.00 H new ATOM 0 HG21 THR B 47 -14.450 0.822 -4.261 1.00 0.00 H new ATOM 0 HG22 THR B 47 -15.231 -0.681 -4.806 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.796 -0.754 -3.758 1.00 0.00 H new ATOM 2071 N SER B 48 -11.514 -1.064 -7.988 1.00 0.00 N ATOM 2072 CA SER B 48 -11.053 -0.860 -9.356 1.00 0.00 C ATOM 2073 C SER B 48 -10.555 -2.156 -9.997 1.00 0.00 C ATOM 2074 O SER B 48 -10.842 -2.427 -11.165 1.00 0.00 O ATOM 2075 CB SER B 48 -9.955 0.201 -9.379 1.00 0.00 C ATOM 2076 OG SER B 48 -10.421 1.415 -8.809 1.00 0.00 O ATOM 0 H SER B 48 -10.879 -0.712 -7.272 1.00 0.00 H new ATOM 0 HA SER B 48 -11.904 -0.518 -9.945 1.00 0.00 H new ATOM 0 HB2 SER B 48 -9.085 -0.156 -8.827 1.00 0.00 H new ATOM 0 HB3 SER B 48 -9.632 0.375 -10.405 1.00 0.00 H new ATOM 0 HG SER B 48 -9.704 2.083 -8.830 1.00 0.00 H new ATOM 2082 N ILE B 49 -9.824 -2.961 -9.237 1.00 0.00 N ATOM 2083 CA ILE B 49 -9.265 -4.197 -9.769 1.00 0.00 C ATOM 2084 C ILE B 49 -10.346 -5.274 -9.861 1.00 0.00 C ATOM 2085 O ILE B 49 -11.197 -5.384 -8.976 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.092 -4.707 -8.898 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -7.021 -3.618 -8.752 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -7.481 -5.971 -9.492 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -6.402 -3.185 -10.065 1.00 0.00 C ATOM 0 H ILE B 49 -9.605 -2.782 -8.257 1.00 0.00 H new ATOM 0 HA ILE B 49 -8.882 -3.983 -10.767 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.485 -4.949 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.465 -2.749 -8.267 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -6.233 -3.983 -8.093 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.659 -6.309 -8.861 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.240 -6.751 -9.547 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.106 -5.758 -10.493 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -5.655 -2.413 -9.878 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -5.927 -4.042 -10.543 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -7.178 -2.788 -10.720 1.00 0.00 H new ATOM 2101 N ALA B 50 -10.322 -6.039 -10.947 1.00 0.00 N ATOM 2102 CA ALA B 50 -11.289 -7.109 -11.160 1.00 0.00 C ATOM 2103 C ALA B 50 -11.190 -8.152 -10.052 1.00 0.00 C ATOM 2104 O ALA B 50 -10.102 -8.656 -9.765 1.00 0.00 O ATOM 2105 CB ALA B 50 -11.074 -7.756 -12.522 1.00 0.00 C ATOM 0 H ALA B 50 -9.639 -5.937 -11.697 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.290 -6.678 -11.135 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.804 -8.553 -12.666 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.196 -7.007 -13.304 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.068 -8.172 -12.572 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.331 -8.486 -9.418 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.387 -9.405 -8.271 1.00 0.00 C ATOM 2113 C PRO B 51 -11.616 -10.701 -8.492 1.00 0.00 C ATOM 2114 O PRO B 51 -10.976 -11.213 -7.575 1.00 0.00 O ATOM 2115 CB PRO B 51 -13.880 -9.696 -8.126 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.551 -8.482 -8.662 1.00 0.00 C ATOM 2117 CD PRO B 51 -13.671 -7.974 -9.771 1.00 0.00 C ATOM 0 HA PRO B 51 -11.926 -8.962 -7.388 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.167 -10.587 -8.685 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -14.151 -9.872 -7.085 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.548 -8.720 -9.033 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -14.672 -7.728 -7.884 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -13.998 -8.344 -10.743 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -13.682 -6.885 -9.824 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.661 -11.207 -9.718 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.036 -12.481 -10.051 1.00 0.00 C ATOM 2127 C ALA B 52 -9.514 -12.435 -9.918 1.00 0.00 C ATOM 2128 O ALA B 52 -8.874 -13.465 -9.698 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.428 -12.901 -11.459 1.00 0.00 C ATOM 0 H ALA B 52 -12.127 -10.751 -10.503 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.399 -13.218 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -10.956 -13.854 -11.699 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.511 -13.007 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.098 -12.144 -12.170 1.00 0.00 H new ATOM 2135 N GLN B 53 -8.926 -11.248 -10.038 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.473 -11.132 -10.004 1.00 0.00 C ATOM 2137 C GLN B 53 -6.993 -10.156 -8.932 1.00 0.00 C ATOM 2138 O GLN B 53 -5.797 -9.880 -8.844 1.00 0.00 O ATOM 2139 CB GLN B 53 -6.932 -10.714 -11.374 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.421 -9.356 -11.853 1.00 0.00 C ATOM 2141 CD GLN B 53 -6.789 -8.954 -13.172 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -5.662 -9.342 -13.476 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -7.505 -8.175 -13.965 1.00 0.00 N ATOM 0 H GLN B 53 -9.424 -10.366 -10.158 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.084 -12.117 -9.748 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.843 -10.701 -11.333 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.214 -11.468 -12.108 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.505 -9.380 -11.964 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.194 -8.603 -11.098 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.436 -7.874 -13.678 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.126 -7.876 -14.863 1.00 0.00 H new ATOM 2152 N ARG B 54 -7.911 -9.650 -8.108 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.538 -8.732 -7.024 1.00 0.00 C ATOM 2154 C ARG B 54 -6.444 -9.339 -6.157 1.00 0.00 C ATOM 2155 O ARG B 54 -5.464 -8.676 -5.816 1.00 0.00 O ATOM 2156 CB ARG B 54 -8.736 -8.397 -6.134 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.830 -7.605 -6.823 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.945 -7.249 -5.852 1.00 0.00 C ATOM 2159 NE ARG B 54 -11.398 -8.415 -5.091 1.00 0.00 N ATOM 2160 CZ ARG B 54 -12.544 -8.473 -4.415 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -13.387 -7.443 -4.425 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -12.844 -9.563 -3.720 1.00 0.00 N ATOM 0 H ARG B 54 -8.908 -9.855 -8.166 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.176 -7.817 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -9.162 -9.326 -5.755 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.384 -7.832 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.410 -6.694 -7.249 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -10.237 -8.186 -7.651 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.595 -6.480 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -11.785 -6.826 -6.403 1.00 0.00 H new ATOM 0 HE ARG B 54 -10.796 -9.238 -5.078 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -13.157 -6.601 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -14.263 -7.496 -3.905 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.198 -10.352 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.721 -9.612 -3.201 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.618 -10.611 -5.824 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.681 -11.315 -4.963 1.00 0.00 C ATOM 2178 C GLN B 55 -4.295 -11.353 -5.599 1.00 0.00 C ATOM 2179 O GLN B 55 -3.292 -11.090 -4.937 1.00 0.00 O ATOM 2180 CB GLN B 55 -6.178 -12.737 -4.705 1.00 0.00 C ATOM 2181 CG GLN B 55 -5.611 -13.363 -3.443 1.00 0.00 C ATOM 2182 CD GLN B 55 -6.078 -12.653 -2.188 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -7.134 -12.968 -1.644 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -5.289 -11.703 -1.711 1.00 0.00 N ATOM 0 H GLN B 55 -7.405 -11.178 -6.140 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.612 -10.783 -4.014 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -7.266 -12.725 -4.637 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -5.919 -13.363 -5.559 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -5.906 -14.411 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -4.522 -13.340 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -4.420 -11.472 -2.193 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -5.550 -11.202 -0.861 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.255 -11.654 -6.894 1.00 0.00 N ATOM 2194 CA ALA B 56 -2.997 -11.755 -7.624 1.00 0.00 C ATOM 2195 C ALA B 56 -2.286 -10.409 -7.683 1.00 0.00 C ATOM 2196 O ALA B 56 -1.079 -10.324 -7.450 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.244 -12.291 -9.028 1.00 0.00 C ATOM 0 H ALA B 56 -5.084 -11.833 -7.461 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.350 -12.452 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.297 -12.362 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -3.700 -13.279 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -3.913 -11.616 -9.563 1.00 0.00 H new ATOM 2203 N ILE B 57 -3.039 -9.356 -7.984 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.479 -8.008 -8.059 1.00 0.00 C ATOM 2205 C ILE B 57 -1.942 -7.574 -6.696 1.00 0.00 C ATOM 2206 O ILE B 57 -0.851 -7.007 -6.602 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.521 -6.981 -8.588 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -3.526 -6.951 -10.123 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -3.257 -5.581 -8.044 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -3.896 -8.265 -10.775 1.00 0.00 C ATOM 0 H ILE B 57 -4.039 -9.408 -8.180 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.653 -8.034 -8.770 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.500 -7.305 -8.235 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -4.226 -6.185 -10.457 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -2.537 -6.653 -10.471 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -4.005 -4.891 -8.436 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -3.313 -5.597 -6.956 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -2.264 -5.252 -8.352 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -3.874 -8.152 -11.859 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -3.183 -9.033 -10.476 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.898 -8.558 -10.461 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.698 -7.867 -5.644 1.00 0.00 N ATOM 2223 CA ALA B 58 -2.284 -7.531 -4.288 1.00 0.00 C ATOM 2224 C ALA B 58 -1.024 -8.295 -3.898 1.00 0.00 C ATOM 2225 O ALA B 58 -0.103 -7.734 -3.307 1.00 0.00 O ATOM 2226 CB ALA B 58 -3.404 -7.826 -3.304 1.00 0.00 C ATOM 0 H ALA B 58 -3.601 -8.337 -5.705 1.00 0.00 H new ATOM 0 HA ALA B 58 -2.060 -6.465 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -3.079 -7.570 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.282 -7.234 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.655 -8.886 -3.346 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.993 -9.579 -4.229 1.00 0.00 N ATOM 2233 CA ASN B 59 0.165 -10.420 -3.943 1.00 0.00 C ATOM 2234 C ASN B 59 1.388 -9.923 -4.705 1.00 0.00 C ATOM 2235 O ASN B 59 2.486 -9.841 -4.156 1.00 0.00 O ATOM 2236 CB ASN B 59 -0.133 -11.873 -4.319 1.00 0.00 C ATOM 2237 CG ASN B 59 1.016 -12.815 -4.008 1.00 0.00 C ATOM 2238 OD1 ASN B 59 1.783 -12.596 -3.074 1.00 0.00 O ATOM 2239 ND2 ASN B 59 1.130 -13.881 -4.783 1.00 0.00 N ATOM 0 H ASN B 59 -1.759 -10.064 -4.697 1.00 0.00 H new ATOM 0 HA ASN B 59 0.376 -10.366 -2.875 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -1.023 -12.205 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN B 59 -0.362 -11.927 -5.383 1.00 0.00 H new ATOM 0 HD21 ASN B 59 1.875 -14.557 -4.614 1.00 0.00 H new ATOM 0 HD22 ASN B 59 0.473 -14.027 -5.549 1.00 0.00 H new ATOM 2246 N SER B 60 1.185 -9.568 -5.965 1.00 0.00 N ATOM 2247 CA SER B 60 2.262 -9.052 -6.793 1.00 0.00 C ATOM 2248 C SER B 60 2.763 -7.717 -6.251 1.00 0.00 C ATOM 2249 O SER B 60 3.960 -7.448 -6.263 1.00 0.00 O ATOM 2250 CB SER B 60 1.789 -8.896 -8.237 1.00 0.00 C ATOM 2251 OG SER B 60 1.273 -10.121 -8.731 1.00 0.00 O ATOM 0 H SER B 60 0.282 -9.628 -6.436 1.00 0.00 H new ATOM 0 HA SER B 60 3.088 -9.763 -6.770 1.00 0.00 H new ATOM 0 HB2 SER B 60 1.022 -8.124 -8.292 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.618 -8.566 -8.863 1.00 0.00 H new ATOM 0 HG SER B 60 0.394 -10.290 -8.333 1.00 0.00 H new ATOM 2257 N PHE B 61 1.839 -6.892 -5.762 1.00 0.00 N ATOM 2258 CA PHE B 61 2.191 -5.616 -5.148 1.00 0.00 C ATOM 2259 C PHE B 61 3.018 -5.856 -3.890 1.00 0.00 C ATOM 2260 O PHE B 61 4.030 -5.194 -3.657 1.00 0.00 O ATOM 2261 CB PHE B 61 0.921 -4.830 -4.803 1.00 0.00 C ATOM 2262 CG PHE B 61 1.176 -3.447 -4.266 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.347 -3.232 -2.905 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.235 -2.359 -5.122 1.00 0.00 C ATOM 2265 CE1 PHE B 61 1.574 -1.962 -2.411 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.463 -1.085 -4.633 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.632 -0.888 -3.277 1.00 0.00 C ATOM 0 H PHE B 61 0.838 -7.087 -5.780 1.00 0.00 H new ATOM 0 HA PHE B 61 2.783 -5.033 -5.854 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.302 -4.752 -5.697 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.348 -5.393 -4.067 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.302 -4.069 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.101 -2.507 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.706 -1.809 -1.350 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.509 -0.246 -5.311 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.810 0.106 -2.894 1.00 0.00 H new ATOM 2277 N ALA B 62 2.582 -6.822 -3.091 1.00 0.00 N ATOM 2278 CA ALA B 62 3.282 -7.189 -1.869 1.00 0.00 C ATOM 2279 C ALA B 62 4.700 -7.660 -2.173 1.00 0.00 C ATOM 2280 O ALA B 62 5.659 -7.217 -1.542 1.00 0.00 O ATOM 2281 CB ALA B 62 2.512 -8.270 -1.125 1.00 0.00 C ATOM 0 H ALA B 62 1.740 -7.369 -3.271 1.00 0.00 H new ATOM 0 HA ALA B 62 3.348 -6.305 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.047 -8.535 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.520 -7.899 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA B 62 2.417 -9.151 -1.759 1.00 0.00 H new ATOM 2287 N ARG B 63 4.831 -8.543 -3.153 1.00 0.00 N ATOM 2288 CA ARG B 63 6.134 -9.058 -3.545 1.00 0.00 C ATOM 2289 C ARG B 63 6.970 -7.986 -4.239 1.00 0.00 C ATOM 2290 O ARG B 63 8.200 -8.007 -4.166 1.00 0.00 O ATOM 2291 CB ARG B 63 5.977 -10.288 -4.437 1.00 0.00 C ATOM 2292 CG ARG B 63 5.497 -11.515 -3.678 1.00 0.00 C ATOM 2293 CD ARG B 63 5.341 -12.718 -4.592 1.00 0.00 C ATOM 2294 NE ARG B 63 5.154 -13.954 -3.835 1.00 0.00 N ATOM 2295 CZ ARG B 63 5.033 -15.158 -4.390 1.00 0.00 C ATOM 2296 NH1 ARG B 63 4.975 -15.276 -5.712 1.00 0.00 N ATOM 2297 NH2 ARG B 63 4.953 -16.239 -3.624 1.00 0.00 N ATOM 0 H ARG B 63 4.050 -8.918 -3.691 1.00 0.00 H new ATOM 0 HA ARG B 63 6.664 -9.353 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.271 -10.063 -5.236 1.00 0.00 H new ATOM 0 HB3 ARG B 63 6.933 -10.511 -4.910 1.00 0.00 H new ATOM 0 HG2 ARG B 63 6.205 -11.751 -2.884 1.00 0.00 H new ATOM 0 HG3 ARG B 63 4.543 -11.296 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG B 63 4.488 -12.564 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG B 63 6.223 -12.810 -5.226 1.00 0.00 H new ATOM 0 HE ARG B 63 5.114 -13.890 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.023 -14.445 -6.301 1.00 0.00 H new ATOM 0 HH12 ARG B 63 4.882 -16.198 -6.138 1.00 0.00 H new ATOM 0 HH21 ARG B 63 4.984 -16.148 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG B 63 4.860 -17.161 -4.051 1.00 0.00 H new ATOM 2311 N ALA B 64 6.308 -7.043 -4.903 1.00 0.00 N ATOM 2312 CA ALA B 64 6.997 -5.896 -5.480 1.00 0.00 C ATOM 2313 C ALA B 64 7.609 -5.050 -4.373 1.00 0.00 C ATOM 2314 O ALA B 64 8.722 -4.543 -4.504 1.00 0.00 O ATOM 2315 CB ALA B 64 6.047 -5.063 -6.327 1.00 0.00 C ATOM 0 H ALA B 64 5.299 -7.051 -5.054 1.00 0.00 H new ATOM 0 HA ALA B 64 7.794 -6.259 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA B 64 6.584 -4.213 -6.747 1.00 0.00 H new ATOM 0 HB2 ALA B 64 5.648 -5.676 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.227 -4.703 -5.706 1.00 0.00 H new ATOM 2321 N LEU B 65 6.877 -4.923 -3.274 1.00 0.00 N ATOM 2322 CA LEU B 65 7.379 -4.252 -2.083 1.00 0.00 C ATOM 2323 C LEU B 65 8.602 -4.992 -1.544 1.00 0.00 C ATOM 2324 O LEU B 65 9.586 -4.378 -1.134 1.00 0.00 O ATOM 2325 CB LEU B 65 6.282 -4.193 -1.015 1.00 0.00 C ATOM 2326 CG LEU B 65 6.645 -3.445 0.269 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.808 -1.961 -0.007 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.588 -3.679 1.338 1.00 0.00 C ATOM 0 H LEU B 65 5.926 -5.279 -3.183 1.00 0.00 H new ATOM 0 HA LEU B 65 7.671 -3.235 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.401 -3.722 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.001 -5.213 -0.752 1.00 0.00 H new ATOM 0 HG LEU B 65 7.596 -3.831 0.636 1.00 0.00 H new ATOM 0 HD11 LEU B 65 7.066 -1.445 0.918 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.602 -1.812 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.873 -1.559 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.862 -3.140 2.245 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.623 -3.320 0.980 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.521 -4.745 1.556 1.00 0.00 H new ATOM 2340 N GLN B 66 8.541 -6.322 -1.583 1.00 0.00 N ATOM 2341 CA GLN B 66 9.634 -7.159 -1.095 1.00 0.00 C ATOM 2342 C GLN B 66 10.822 -7.111 -2.054 1.00 0.00 C ATOM 2343 O GLN B 66 11.928 -7.517 -1.707 1.00 0.00 O ATOM 2344 CB GLN B 66 9.174 -8.611 -0.928 1.00 0.00 C ATOM 2345 CG GLN B 66 7.896 -8.779 -0.117 1.00 0.00 C ATOM 2346 CD GLN B 66 7.972 -8.153 1.260 1.00 0.00 C ATOM 2347 OE1 GLN B 66 8.389 -8.791 2.223 1.00 0.00 O ATOM 2348 NE2 GLN B 66 7.546 -6.904 1.364 1.00 0.00 N ATOM 0 H GLN B 66 7.744 -6.843 -1.948 1.00 0.00 H new ATOM 0 HA GLN B 66 9.942 -6.769 -0.125 1.00 0.00 H new ATOM 0 HB2 GLN B 66 9.023 -9.047 -1.916 1.00 0.00 H new ATOM 0 HB3 GLN B 66 9.971 -9.179 -0.448 1.00 0.00 H new ATOM 0 HG2 GLN B 66 7.065 -8.334 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.677 -9.842 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.207 -6.410 0.538 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.556 -6.435 2.270 1.00 0.00 H new ATOM 2357 N SER B 67 10.579 -6.633 -3.268 1.00 0.00 N ATOM 2358 CA SER B 67 11.635 -6.488 -4.258 1.00 0.00 C ATOM 2359 C SER B 67 12.242 -5.091 -4.181 1.00 0.00 C ATOM 2360 O SER B 67 13.417 -4.893 -4.485 1.00 0.00 O ATOM 2361 CB SER B 67 11.084 -6.748 -5.660 1.00 0.00 C ATOM 2362 OG SER B 67 10.447 -8.015 -5.728 1.00 0.00 O ATOM 0 H SER B 67 9.657 -6.339 -3.590 1.00 0.00 H new ATOM 0 HA SER B 67 12.415 -7.220 -4.047 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.374 -5.965 -5.927 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.895 -6.705 -6.387 1.00 0.00 H new ATOM 0 HG SER B 67 9.588 -7.975 -5.258 1.00 0.00 H new ATOM 2368 N SER B 68 11.429 -4.127 -3.764 1.00 0.00 N ATOM 2369 CA SER B 68 11.888 -2.758 -3.599 1.00 0.00 C ATOM 2370 C SER B 68 12.836 -2.661 -2.407 1.00 0.00 C ATOM 2371 O SER B 68 13.741 -1.829 -2.381 1.00 0.00 O ATOM 2372 CB SER B 68 10.692 -1.826 -3.408 1.00 0.00 C ATOM 2373 OG SER B 68 9.782 -1.938 -4.492 1.00 0.00 O ATOM 0 H SER B 68 10.446 -4.272 -3.534 1.00 0.00 H new ATOM 0 HA SER B 68 12.428 -2.454 -4.496 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.183 -2.068 -2.475 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.039 -0.796 -3.324 1.00 0.00 H new ATOM 0 HG SER B 68 9.393 -2.837 -4.501 1.00 0.00 H new ATOM 2379 N ILE B 69 12.620 -3.522 -1.426 1.00 0.00 N ATOM 2380 CA ILE B 69 13.503 -3.608 -0.279 1.00 0.00 C ATOM 2381 C ILE B 69 14.503 -4.742 -0.484 1.00 0.00 C ATOM 2382 O ILE B 69 14.184 -5.759 -1.096 1.00 0.00 O ATOM 2383 CB ILE B 69 12.702 -3.823 1.028 1.00 0.00 C ATOM 2384 CG1 ILE B 69 11.794 -2.616 1.284 1.00 0.00 C ATOM 2385 CG2 ILE B 69 13.630 -4.054 2.214 1.00 0.00 C ATOM 2386 CD1 ILE B 69 11.005 -2.709 2.570 1.00 0.00 C ATOM 0 H ILE B 69 11.836 -4.174 -1.403 1.00 0.00 H new ATOM 0 HA ILE B 69 14.043 -2.665 -0.186 1.00 0.00 H new ATOM 0 HB ILE B 69 12.087 -4.716 0.911 1.00 0.00 H new ATOM 0 HG12 ILE B 69 12.404 -1.713 1.307 1.00 0.00 H new ATOM 0 HG13 ILE B 69 11.100 -2.511 0.450 1.00 0.00 H new ATOM 0 HG21 ILE B 69 13.037 -4.202 3.117 1.00 0.00 H new ATOM 0 HG22 ILE B 69 14.240 -4.939 2.032 1.00 0.00 H new ATOM 0 HG23 ILE B 69 14.278 -3.187 2.343 1.00 0.00 H new ATOM 0 HD11 ILE B 69 10.386 -1.819 2.682 1.00 0.00 H new ATOM 0 HD12 ILE B 69 10.368 -3.593 2.543 1.00 0.00 H new ATOM 0 HD13 ILE B 69 11.691 -2.782 3.414 1.00 0.00 H new