USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 636 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 82 SER OG : rot 151:sc= -6.71! USER MOD Set 1.2: A 102 MET CE :methyl -174:sc= -3.77! (180deg=-0.841) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 145:sc= -6.33! (180deg=-8.88!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -103:sc= -0.367 (180deg=-1.88!) USER MOD Single : A 44 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.7!) USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= -2.78! (180deg=-5.03!) USER MOD Single : A 53 THR OG1 : rot 74:sc= 1.11 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 111:sc= -0.398 USER MOD Single : A 73 ASN : amide:sc= 0.259 K(o=0.26,f=-1) USER MOD Single : A 74 GLN : amide:sc= -8.24! C(o=-8.2!,f=-13!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 154:sc= -2.26 (180deg=-3.85!) USER MOD Single : A 85 MET CE :methyl -117:sc= -3.78! (180deg=-7!) USER MOD Single : A 86 GLN : amide:sc= -6.34! C(o=-6.3!,f=-13!) USER MOD Single : A 88 ASN : amide:sc= -13.8! C(o=-14!,f=-14!) USER MOD Single : A 90 THR OG1 : rot 108:sc= 0.705 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.334 K(o=-0.33,f=-1.6!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.531 K(o=-0.53,f=-0.015) USER MOD Single : A 115 ASN : amide:sc= -3.45 K(o=-3.4,f=-2.4) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N CYS A 33 -11.988 1.681 4.747 1.00 0.00 N ATOM 136 CA CYS A 33 -11.073 2.808 4.790 1.00 0.00 C ATOM 137 C CYS A 33 -10.524 3.035 3.381 1.00 0.00 C ATOM 138 O CYS A 33 -10.100 4.140 3.047 1.00 0.00 O ATOM 139 CB CYS A 33 -9.955 2.591 5.811 1.00 0.00 C ATOM 140 SG CYS A 33 -10.631 2.679 7.509 1.00 0.00 S ATOM 0 HA CYS A 33 -11.606 3.700 5.119 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.486 1.621 5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.180 3.346 5.680 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.673 2.491 8.368 1.00 0.00 H new ATOM 145 N LEU A 34 -10.548 1.971 2.592 1.00 0.00 N ATOM 146 CA LEU A 34 -10.057 2.040 1.226 1.00 0.00 C ATOM 147 C LEU A 34 -10.879 3.068 0.446 1.00 0.00 C ATOM 148 O LEU A 34 -10.483 3.489 -0.640 1.00 0.00 O ATOM 149 CB LEU A 34 -10.047 0.649 0.589 1.00 0.00 C ATOM 150 CG LEU A 34 -9.436 -0.471 1.433 1.00 0.00 C ATOM 151 CD1 LEU A 34 -8.787 -1.535 0.545 1.00 0.00 C ATOM 152 CD2 LEU A 34 -8.454 0.092 2.462 1.00 0.00 C ATOM 0 H LEU A 34 -10.900 1.056 2.873 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.021 2.380 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.074 0.375 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.501 0.706 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.239 -0.959 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.360 -2.320 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.539 -1.966 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.998 -1.078 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.034 -0.725 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.651 0.620 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.977 0.783 3.124 1.00 0.00 H new ATOM 163 N GLU A 35 -12.008 3.443 1.029 1.00 0.00 N ATOM 164 CA GLU A 35 -12.888 4.414 0.401 1.00 0.00 C ATOM 165 C GLU A 35 -12.513 5.831 0.839 1.00 0.00 C ATOM 166 O GLU A 35 -13.302 6.762 0.683 1.00 0.00 O ATOM 167 CB GLU A 35 -14.354 4.111 0.720 1.00 0.00 C ATOM 168 CG GLU A 35 -14.673 2.634 0.484 1.00 0.00 C ATOM 169 CD GLU A 35 -16.046 2.467 -0.169 1.00 0.00 C ATOM 170 OE1 GLU A 35 -17.029 2.927 0.451 1.00 0.00 O ATOM 171 OE2 GLU A 35 -16.082 1.883 -1.274 1.00 0.00 O ATOM 0 H GLU A 35 -12.334 3.092 1.930 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.763 4.344 -0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.565 4.371 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.001 4.730 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.907 2.190 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.650 2.097 1.432 1.00 0.00 H new ATOM 176 N LYS A 36 -11.308 5.951 1.378 1.00 0.00 N ATOM 177 CA LYS A 36 -10.819 7.238 1.840 1.00 0.00 C ATOM 178 C LYS A 36 -10.150 7.971 0.675 1.00 0.00 C ATOM 179 O LYS A 36 -9.855 9.162 0.773 1.00 0.00 O ATOM 180 CB LYS A 36 -9.911 7.062 3.058 1.00 0.00 C ATOM 181 CG LYS A 36 -10.735 6.831 4.326 1.00 0.00 C ATOM 182 CD LYS A 36 -10.637 8.031 5.271 1.00 0.00 C ATOM 183 CE LYS A 36 -10.956 7.624 6.710 1.00 0.00 C ATOM 184 NZ LYS A 36 -11.420 8.794 7.489 1.00 0.00 N ATOM 0 H LYS A 36 -10.656 5.177 1.505 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.647 7.861 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.240 6.218 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.287 7.947 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.778 6.658 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.382 5.934 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.634 8.455 5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.328 8.810 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.723 6.850 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.069 7.196 7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.632 8.500 8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.676 9.520 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.278 9.185 7.051 1.00 0.00 H new ATOM 194 N LYS A 37 -9.928 7.230 -0.400 1.00 0.00 N ATOM 195 CA LYS A 37 -9.298 7.794 -1.582 1.00 0.00 C ATOM 196 C LYS A 37 -7.937 8.379 -1.199 1.00 0.00 C ATOM 197 O LYS A 37 -7.623 8.506 -0.017 1.00 0.00 O ATOM 198 CB LYS A 37 -10.231 8.800 -2.257 1.00 0.00 C ATOM 199 CG LYS A 37 -11.445 8.098 -2.870 1.00 0.00 C ATOM 200 CD LYS A 37 -12.726 8.454 -2.111 1.00 0.00 C ATOM 201 CE LYS A 37 -13.790 9.007 -3.061 1.00 0.00 C ATOM 202 NZ LYS A 37 -14.992 9.424 -2.306 1.00 0.00 N ATOM 0 H LYS A 37 -10.173 6.243 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.114 7.017 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.564 9.539 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.689 9.340 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.546 8.386 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.294 7.019 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.111 7.569 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.503 9.191 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.387 9.856 -3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.060 8.248 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.704 9.797 -2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.385 8.605 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.733 10.163 -1.622 1.00 0.00 H new ATOM 212 N VAL A 38 -7.166 8.719 -2.221 1.00 0.00 N ATOM 213 CA VAL A 38 -5.847 9.288 -2.007 1.00 0.00 C ATOM 214 C VAL A 38 -5.461 10.140 -3.217 1.00 0.00 C ATOM 215 O VAL A 38 -5.927 9.894 -4.329 1.00 0.00 O ATOM 216 CB VAL A 38 -4.838 8.175 -1.714 1.00 0.00 C ATOM 217 CG1 VAL A 38 -5.322 7.285 -0.567 1.00 0.00 C ATOM 218 CG2 VAL A 38 -4.557 7.345 -2.970 1.00 0.00 C ATOM 0 H VAL A 38 -7.430 8.611 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.851 9.943 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.903 8.643 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.587 6.502 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.449 7.888 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.275 6.830 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.837 6.561 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.484 6.892 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.150 7.990 -3.749 1.00 0.00 H new ATOM 228 N ASP A 39 -4.612 11.125 -2.961 1.00 0.00 N ATOM 229 CA ASP A 39 -4.158 12.016 -4.015 1.00 0.00 C ATOM 230 C ASP A 39 -2.629 12.007 -4.061 1.00 0.00 C ATOM 231 O ASP A 39 -1.978 12.724 -3.303 1.00 0.00 O ATOM 232 CB ASP A 39 -4.616 13.453 -3.757 1.00 0.00 C ATOM 233 CG ASP A 39 -4.897 13.789 -2.292 1.00 0.00 C ATOM 234 OD1 ASP A 39 -5.885 13.234 -1.763 1.00 0.00 O ATOM 235 OD2 ASP A 39 -4.119 14.591 -1.733 1.00 0.00 O ATOM 0 H ASP A 39 -4.227 11.325 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.581 11.667 -4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.851 14.134 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.520 13.640 -4.337 1.00 0.00 H new ATOM 239 N MET A 40 -2.101 11.186 -4.957 1.00 0.00 N ATOM 240 CA MET A 40 -0.660 11.075 -5.112 1.00 0.00 C ATOM 241 C MET A 40 -0.059 12.388 -5.620 1.00 0.00 C ATOM 242 O MET A 40 1.137 12.629 -5.466 1.00 0.00 O ATOM 243 CB MET A 40 -0.338 9.950 -6.098 1.00 0.00 C ATOM 244 CG MET A 40 -0.963 8.629 -5.645 1.00 0.00 C ATOM 245 SD MET A 40 0.054 7.869 -4.392 1.00 0.00 S ATOM 246 CE MET A 40 -0.521 8.750 -2.949 1.00 0.00 C ATOM 0 H MET A 40 -2.645 10.592 -5.583 1.00 0.00 H new ATOM 0 HA MET A 40 -0.225 10.852 -4.138 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.710 10.212 -7.088 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.742 9.835 -6.184 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.965 8.807 -5.253 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.068 7.957 -6.496 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.516 8.081 -2.088 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.137 9.597 -2.754 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.535 9.111 -3.123 1.00 0.00 H new ATOM 254 N SER A 41 -0.918 13.201 -6.218 1.00 0.00 N ATOM 255 CA SER A 41 -0.487 14.482 -6.750 1.00 0.00 C ATOM 256 C SER A 41 -0.219 15.462 -5.606 1.00 0.00 C ATOM 257 O SER A 41 0.286 16.560 -5.830 1.00 0.00 O ATOM 258 CB SER A 41 -1.531 15.059 -7.709 1.00 0.00 C ATOM 259 OG SER A 41 -0.969 15.381 -8.980 1.00 0.00 O ATOM 0 H SER A 41 -1.909 12.997 -6.346 1.00 0.00 H new ATOM 0 HA SER A 41 0.435 14.326 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.339 14.339 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.971 15.954 -7.270 1.00 0.00 H new ATOM 0 HG SER A 41 -1.667 15.745 -9.564 1.00 0.00 H new ATOM 264 N LYS A 42 -0.570 15.028 -4.404 1.00 0.00 N ATOM 265 CA LYS A 42 -0.374 15.852 -3.223 1.00 0.00 C ATOM 266 C LYS A 42 0.599 15.151 -2.274 1.00 0.00 C ATOM 267 O LYS A 42 1.415 15.804 -1.624 1.00 0.00 O ATOM 268 CB LYS A 42 -1.719 16.197 -2.582 1.00 0.00 C ATOM 269 CG LYS A 42 -2.782 16.472 -3.648 1.00 0.00 C ATOM 270 CD LYS A 42 -2.579 17.851 -4.280 1.00 0.00 C ATOM 271 CE LYS A 42 -3.120 18.955 -3.370 1.00 0.00 C ATOM 272 NZ LYS A 42 -2.039 19.501 -2.519 1.00 0.00 N ATOM 0 H LYS A 42 -0.989 14.116 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 42 0.077 16.806 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.043 15.375 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.607 17.072 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.736 15.704 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.774 16.415 -3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.518 18.017 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.083 17.891 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.553 19.752 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.919 18.559 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.128 19.118 -1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.116 19.231 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.112 20.538 -2.487 1.00 0.00 H new ATOM 282 N VAL A 43 0.481 13.833 -2.224 1.00 0.00 N ATOM 283 CA VAL A 43 1.341 13.037 -1.364 1.00 0.00 C ATOM 284 C VAL A 43 2.347 12.269 -2.225 1.00 0.00 C ATOM 285 O VAL A 43 2.057 11.932 -3.371 1.00 0.00 O ATOM 286 CB VAL A 43 0.493 12.123 -0.477 1.00 0.00 C ATOM 287 CG1 VAL A 43 -0.914 11.954 -1.052 1.00 0.00 C ATOM 288 CG2 VAL A 43 1.171 10.766 -0.280 1.00 0.00 C ATOM 0 H VAL A 43 -0.197 13.296 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 43 1.911 13.680 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 43 0.401 12.596 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.496 11.300 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.400 12.927 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.850 11.514 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.547 10.136 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.308 10.284 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.142 10.910 0.194 1.00 0.00 H new ATOM 298 N ASN A 44 3.507 12.016 -1.638 1.00 0.00 N ATOM 299 CA ASN A 44 4.557 11.295 -2.337 1.00 0.00 C ATOM 300 C ASN A 44 4.390 9.794 -2.090 1.00 0.00 C ATOM 301 O ASN A 44 4.392 9.346 -0.944 1.00 0.00 O ATOM 302 CB ASN A 44 5.940 11.707 -1.831 1.00 0.00 C ATOM 303 CG ASN A 44 6.444 12.951 -2.563 1.00 0.00 C ATOM 304 OD1 ASN A 44 5.773 13.523 -3.406 1.00 0.00 O ATOM 305 ND2 ASN A 44 7.664 13.337 -2.198 1.00 0.00 N ATOM 0 H ASN A 44 3.743 12.297 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 44 4.478 11.530 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.895 11.904 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.643 10.886 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.091 14.156 -2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.173 12.814 -1.485 1.00 0.00 H new ATOM 311 N LEU A 45 4.250 9.058 -3.183 1.00 0.00 N ATOM 312 CA LEU A 45 4.083 7.618 -3.099 1.00 0.00 C ATOM 313 C LEU A 45 5.459 6.951 -3.045 1.00 0.00 C ATOM 314 O LEU A 45 5.582 5.806 -2.611 1.00 0.00 O ATOM 315 CB LEU A 45 3.200 7.113 -4.242 1.00 0.00 C ATOM 316 CG LEU A 45 3.928 6.432 -5.402 1.00 0.00 C ATOM 317 CD1 LEU A 45 5.119 7.272 -5.871 1.00 0.00 C ATOM 318 CD2 LEU A 45 4.344 5.008 -5.028 1.00 0.00 C ATOM 0 H LEU A 45 4.249 9.433 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 45 3.561 7.349 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.475 6.410 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.636 7.957 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 45 3.237 6.356 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.619 6.765 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.767 8.248 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.820 7.401 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.860 4.546 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.011 5.038 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.458 4.423 -4.780 1.00 0.00 H new ATOM 329 N GLU A 46 6.460 7.696 -3.491 1.00 0.00 N ATOM 330 CA GLU A 46 7.823 7.191 -3.497 1.00 0.00 C ATOM 331 C GLU A 46 8.282 6.883 -2.072 1.00 0.00 C ATOM 332 O GLU A 46 8.973 5.893 -1.838 1.00 0.00 O ATOM 333 CB GLU A 46 8.770 8.181 -4.178 1.00 0.00 C ATOM 334 CG GLU A 46 9.293 7.619 -5.501 1.00 0.00 C ATOM 335 CD GLU A 46 10.286 6.481 -5.260 1.00 0.00 C ATOM 336 OE1 GLU A 46 11.265 6.729 -4.523 1.00 0.00 O ATOM 337 OE2 GLU A 46 10.044 5.389 -5.818 1.00 0.00 O ATOM 0 H GLU A 46 6.355 8.645 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 46 7.845 6.265 -4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.250 9.122 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.608 8.402 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.458 7.257 -6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.776 8.412 -6.072 1.00 0.00 H new ATOM 342 N VAL A 47 7.880 7.750 -1.154 1.00 0.00 N ATOM 343 CA VAL A 47 8.242 7.583 0.244 1.00 0.00 C ATOM 344 C VAL A 47 7.430 6.434 0.842 1.00 0.00 C ATOM 345 O VAL A 47 7.616 6.077 2.005 1.00 0.00 O ATOM 346 CB VAL A 47 8.055 8.903 0.994 1.00 0.00 C ATOM 347 CG1 VAL A 47 9.120 9.923 0.586 1.00 0.00 C ATOM 348 CG2 VAL A 47 6.648 9.463 0.774 1.00 0.00 C ATOM 0 H VAL A 47 7.307 8.571 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 47 9.295 7.319 0.338 1.00 0.00 H new ATOM 0 HB VAL A 47 8.175 8.702 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.963 10.852 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.109 9.528 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.047 10.117 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.541 10.402 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.489 9.640 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.911 8.747 1.137 1.00 0.00 H new ATOM 358 N ILE A 48 6.545 5.886 0.022 1.00 0.00 N ATOM 359 CA ILE A 48 5.703 4.784 0.456 1.00 0.00 C ATOM 360 C ILE A 48 6.077 3.524 -0.327 1.00 0.00 C ATOM 361 O ILE A 48 5.480 2.466 -0.127 1.00 0.00 O ATOM 362 CB ILE A 48 4.225 5.163 0.345 1.00 0.00 C ATOM 363 CG1 ILE A 48 4.053 6.680 0.255 1.00 0.00 C ATOM 364 CG2 ILE A 48 3.417 4.561 1.496 1.00 0.00 C ATOM 365 CD1 ILE A 48 4.205 7.332 1.631 1.00 0.00 C ATOM 0 H ILE A 48 6.393 6.185 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 48 5.873 4.566 1.510 1.00 0.00 H new ATOM 0 HB ILE A 48 3.832 4.740 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.793 7.093 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.071 6.914 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.370 4.846 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.502 3.475 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.803 4.933 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.078 8.411 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.449 6.934 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.197 7.116 2.028 1.00 0.00 H new ATOM 376 N LYS A 49 7.060 3.678 -1.201 1.00 0.00 N ATOM 377 CA LYS A 49 7.519 2.565 -2.015 1.00 0.00 C ATOM 378 C LYS A 49 8.263 1.564 -1.128 1.00 0.00 C ATOM 379 O LYS A 49 8.081 0.355 -1.265 1.00 0.00 O ATOM 380 CB LYS A 49 8.347 3.073 -3.198 1.00 0.00 C ATOM 381 CG LYS A 49 7.450 3.718 -4.257 1.00 0.00 C ATOM 382 CD LYS A 49 6.319 2.772 -4.667 1.00 0.00 C ATOM 383 CE LYS A 49 6.838 1.346 -4.859 1.00 0.00 C ATOM 384 NZ LYS A 49 5.742 0.449 -5.286 1.00 0.00 N ATOM 0 H LYS A 49 7.552 4.557 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 49 6.672 2.036 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.082 3.798 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.902 2.246 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.030 4.645 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.045 3.980 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.540 2.779 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.863 3.124 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.633 1.339 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.272 0.982 -3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.733 -0.399 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.833 0.946 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.889 0.168 -6.277 1.00 0.00 H new ATOM 394 N PRO A 50 9.106 2.118 -0.217 1.00 0.00 N ATOM 395 CA PRO A 50 9.878 1.286 0.691 1.00 0.00 C ATOM 396 C PRO A 50 8.992 0.721 1.803 1.00 0.00 C ATOM 397 O PRO A 50 9.267 -0.353 2.335 1.00 0.00 O ATOM 398 CB PRO A 50 10.980 2.194 1.213 1.00 0.00 C ATOM 399 CG PRO A 50 10.514 3.615 0.943 1.00 0.00 C ATOM 400 CD PRO A 50 9.346 3.546 -0.028 1.00 0.00 C ATOM 0 HA PRO A 50 10.301 0.408 0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.146 2.034 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.925 1.991 0.709 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.211 4.100 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.325 4.209 0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.465 4.046 0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.586 4.036 -0.972 1.00 0.00 H new ATOM 405 N TRP A 51 7.946 1.470 2.121 1.00 0.00 N ATOM 406 CA TRP A 51 7.018 1.056 3.160 1.00 0.00 C ATOM 407 C TRP A 51 6.150 -0.071 2.598 1.00 0.00 C ATOM 408 O TRP A 51 5.875 -1.052 3.288 1.00 0.00 O ATOM 409 CB TRP A 51 6.199 2.244 3.668 1.00 0.00 C ATOM 410 CG TRP A 51 5.312 1.919 4.872 1.00 0.00 C ATOM 411 CD1 TRP A 51 5.532 2.214 6.162 1.00 0.00 C ATOM 412 CD2 TRP A 51 4.050 1.221 4.847 1.00 0.00 C ATOM 413 NE1 TRP A 51 4.506 1.758 6.965 1.00 0.00 N ATOM 414 CE2 TRP A 51 3.576 1.136 6.140 1.00 0.00 C ATOM 415 CE3 TRP A 51 3.330 0.681 3.767 1.00 0.00 C ATOM 416 CZ2 TRP A 51 2.367 0.517 6.475 1.00 0.00 C ATOM 417 CZ3 TRP A 51 2.123 0.065 4.118 1.00 0.00 C ATOM 418 CH2 TRP A 51 1.633 -0.030 5.415 1.00 0.00 C ATOM 0 H TRP A 51 7.721 2.361 1.678 1.00 0.00 H new ATOM 0 HA TRP A 51 7.556 0.680 4.030 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.879 3.052 3.938 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.572 2.613 2.857 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.401 2.741 6.526 1.00 0.00 H new ATOM 0 HE1 TRP A 51 4.442 1.859 7.978 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.680 0.737 2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 2.018 0.464 7.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.531 -0.367 3.325 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.691 -0.523 5.605 1.00 0.00 H new ATOM 428 N ILE A 52 5.742 0.106 1.349 1.00 0.00 N ATOM 429 CA ILE A 52 4.912 -0.885 0.686 1.00 0.00 C ATOM 430 C ILE A 52 5.764 -2.105 0.332 1.00 0.00 C ATOM 431 O ILE A 52 5.399 -3.236 0.651 1.00 0.00 O ATOM 432 CB ILE A 52 4.195 -0.265 -0.516 1.00 0.00 C ATOM 433 CG1 ILE A 52 2.890 0.411 -0.088 1.00 0.00 C ATOM 434 CG2 ILE A 52 3.968 -1.305 -1.615 1.00 0.00 C ATOM 435 CD1 ILE A 52 2.872 1.882 -0.510 1.00 0.00 C ATOM 0 H ILE A 52 5.971 0.921 0.780 1.00 0.00 H new ATOM 0 HA ILE A 52 4.124 -1.231 1.355 1.00 0.00 H new ATOM 0 HB ILE A 52 4.837 0.510 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.043 -0.110 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.776 0.337 0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.457 -0.839 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.928 -1.700 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.357 -2.119 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.934 2.340 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.706 2.405 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.962 1.951 -1.594 1.00 0.00 H new ATOM 446 N THR A 53 6.883 -1.835 -0.325 1.00 0.00 N ATOM 447 CA THR A 53 7.790 -2.896 -0.726 1.00 0.00 C ATOM 448 C THR A 53 8.262 -3.685 0.497 1.00 0.00 C ATOM 449 O THR A 53 8.401 -4.906 0.437 1.00 0.00 O ATOM 450 CB THR A 53 8.934 -2.266 -1.521 1.00 0.00 C ATOM 451 OG1 THR A 53 8.289 -1.662 -2.639 1.00 0.00 O ATOM 452 CG2 THR A 53 9.861 -3.311 -2.144 1.00 0.00 C ATOM 0 H THR A 53 7.182 -0.896 -0.589 1.00 0.00 H new ATOM 0 HA THR A 53 7.290 -3.621 -1.368 1.00 0.00 H new ATOM 0 HB THR A 53 9.512 -1.613 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.817 -0.854 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.655 -2.809 -2.697 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.299 -3.925 -1.357 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.291 -3.945 -2.823 1.00 0.00 H new ATOM 460 N LYS A 54 8.496 -2.955 1.578 1.00 0.00 N ATOM 461 CA LYS A 54 8.949 -3.571 2.814 1.00 0.00 C ATOM 462 C LYS A 54 7.780 -4.306 3.471 1.00 0.00 C ATOM 463 O LYS A 54 7.961 -5.377 4.048 1.00 0.00 O ATOM 464 CB LYS A 54 9.610 -2.530 3.720 1.00 0.00 C ATOM 465 CG LYS A 54 10.172 -3.182 4.985 1.00 0.00 C ATOM 466 CD LYS A 54 9.696 -2.448 6.239 1.00 0.00 C ATOM 467 CE LYS A 54 10.273 -3.088 7.503 1.00 0.00 C ATOM 468 NZ LYS A 54 11.239 -2.174 8.152 1.00 0.00 N ATOM 0 H LYS A 54 8.380 -1.943 1.624 1.00 0.00 H new ATOM 0 HA LYS A 54 9.718 -4.316 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.412 -2.028 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.882 -1.766 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.860 -4.225 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.261 -3.176 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.996 -1.401 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.607 -2.465 6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.467 -3.327 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.765 -4.027 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.621 -2.624 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.017 -1.966 7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.759 -1.289 8.411 1.00 0.00 H new ATOM 478 N ARG A 55 6.606 -3.701 3.363 1.00 0.00 N ATOM 479 CA ARG A 55 5.407 -4.285 3.940 1.00 0.00 C ATOM 480 C ARG A 55 5.036 -5.573 3.203 1.00 0.00 C ATOM 481 O ARG A 55 4.810 -6.607 3.830 1.00 0.00 O ATOM 482 CB ARG A 55 4.231 -3.308 3.870 1.00 0.00 C ATOM 483 CG ARG A 55 4.103 -2.510 5.169 1.00 0.00 C ATOM 484 CD ARG A 55 3.649 -3.406 6.323 1.00 0.00 C ATOM 485 NE ARG A 55 3.929 -2.747 7.618 1.00 0.00 N ATOM 486 CZ ARG A 55 5.120 -2.775 8.231 1.00 0.00 C ATOM 487 NH1 ARG A 55 6.147 -3.429 7.672 1.00 0.00 N ATOM 488 NH2 ARG A 55 5.283 -2.148 9.405 1.00 0.00 N ATOM 0 H ARG A 55 6.460 -2.812 2.884 1.00 0.00 H new ATOM 0 HA ARG A 55 5.617 -4.509 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.370 -2.625 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.308 -3.857 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.062 -2.053 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.389 -1.698 5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.583 -3.614 6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.166 -4.365 6.275 1.00 0.00 H new ATOM 0 HE ARG A 55 3.169 -2.240 8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.022 -3.906 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.053 -3.450 8.139 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.501 -1.650 9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.189 -2.169 9.873 1.00 0.00 H new ATOM 499 N VAL A 56 4.985 -5.469 1.883 1.00 0.00 N ATOM 500 CA VAL A 56 4.645 -6.612 1.055 1.00 0.00 C ATOM 501 C VAL A 56 5.690 -7.712 1.257 1.00 0.00 C ATOM 502 O VAL A 56 5.344 -8.886 1.379 1.00 0.00 O ATOM 503 CB VAL A 56 4.511 -6.178 -0.406 1.00 0.00 C ATOM 504 CG1 VAL A 56 3.306 -5.254 -0.594 1.00 0.00 C ATOM 505 CG2 VAL A 56 5.796 -5.512 -0.901 1.00 0.00 C ATOM 0 H VAL A 56 5.174 -4.610 1.367 1.00 0.00 H new ATOM 0 HA VAL A 56 3.679 -7.022 1.349 1.00 0.00 H new ATOM 0 HB VAL A 56 4.345 -7.072 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.233 -4.960 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.396 -5.778 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.429 -4.365 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.673 -5.213 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.007 -4.632 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.625 -6.215 -0.821 1.00 0.00 H new ATOM 515 N THR A 57 6.946 -7.293 1.290 1.00 0.00 N ATOM 516 CA THR A 57 8.043 -8.227 1.476 1.00 0.00 C ATOM 517 C THR A 57 7.945 -8.896 2.849 1.00 0.00 C ATOM 518 O THR A 57 8.154 -10.102 2.972 1.00 0.00 O ATOM 519 CB THR A 57 9.353 -7.467 1.263 1.00 0.00 C ATOM 520 OG1 THR A 57 9.294 -7.049 -0.098 1.00 0.00 O ATOM 521 CG2 THR A 57 10.578 -8.383 1.318 1.00 0.00 C ATOM 0 H THR A 57 7.229 -6.318 1.191 1.00 0.00 H new ATOM 0 HA THR A 57 8.000 -9.038 0.749 1.00 0.00 H new ATOM 0 HB THR A 57 9.448 -6.689 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.184 -6.076 -0.137 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.481 -7.793 1.161 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.626 -8.868 2.293 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.500 -9.142 0.539 1.00 0.00 H new ATOM 529 N GLU A 58 7.629 -8.084 3.846 1.00 0.00 N ATOM 530 CA GLU A 58 7.501 -8.582 5.205 1.00 0.00 C ATOM 531 C GLU A 58 6.223 -9.410 5.350 1.00 0.00 C ATOM 532 O GLU A 58 6.160 -10.323 6.172 1.00 0.00 O ATOM 533 CB GLU A 58 7.526 -7.433 6.215 1.00 0.00 C ATOM 534 CG GLU A 58 8.964 -7.033 6.553 1.00 0.00 C ATOM 535 CD GLU A 58 9.105 -6.700 8.040 1.00 0.00 C ATOM 536 OE1 GLU A 58 8.204 -6.002 8.554 1.00 0.00 O ATOM 537 OE2 GLU A 58 10.110 -7.151 8.630 1.00 0.00 O ATOM 0 H GLU A 58 7.458 -7.084 3.740 1.00 0.00 H new ATOM 0 HA GLU A 58 8.354 -9.227 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.992 -6.574 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.004 -7.732 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.642 -7.846 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.256 -6.170 5.954 1.00 0.00 H new ATOM 542 N ILE A 59 5.236 -9.063 4.537 1.00 0.00 N ATOM 543 CA ILE A 59 3.962 -9.762 4.563 1.00 0.00 C ATOM 544 C ILE A 59 4.200 -11.254 4.320 1.00 0.00 C ATOM 545 O ILE A 59 3.670 -12.097 5.042 1.00 0.00 O ATOM 546 CB ILE A 59 2.981 -9.127 3.576 1.00 0.00 C ATOM 547 CG1 ILE A 59 2.333 -7.877 4.175 1.00 0.00 C ATOM 548 CG2 ILE A 59 1.939 -10.144 3.108 1.00 0.00 C ATOM 549 CD1 ILE A 59 1.899 -6.905 3.077 1.00 0.00 C ATOM 0 H ILE A 59 5.293 -8.306 3.855 1.00 0.00 H new ATOM 0 HA ILE A 59 3.496 -9.668 5.544 1.00 0.00 H new ATOM 0 HB ILE A 59 3.540 -8.810 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.469 -8.163 4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.037 -7.384 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.254 -9.667 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.440 -10.977 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.380 -10.514 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.442 -6.025 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.769 -6.602 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.177 -7.394 2.423 1.00 0.00 H new ATOM 560 N LEU A 60 4.998 -11.535 3.300 1.00 0.00 N ATOM 561 CA LEU A 60 5.313 -12.910 2.953 1.00 0.00 C ATOM 562 C LEU A 60 6.677 -13.281 3.541 1.00 0.00 C ATOM 563 O LEU A 60 6.827 -14.340 4.147 1.00 0.00 O ATOM 564 CB LEU A 60 5.220 -13.115 1.440 1.00 0.00 C ATOM 565 CG LEU A 60 4.899 -11.869 0.613 1.00 0.00 C ATOM 566 CD1 LEU A 60 6.172 -11.090 0.278 1.00 0.00 C ATOM 567 CD2 LEU A 60 4.103 -12.234 -0.643 1.00 0.00 C ATOM 0 H LEU A 60 5.436 -10.833 2.703 1.00 0.00 H new ATOM 0 HA LEU A 60 4.582 -13.590 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.167 -13.525 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.455 -13.866 1.241 1.00 0.00 H new ATOM 0 HG LEU A 60 4.269 -11.213 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.915 -10.209 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.662 -10.780 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.847 -11.725 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.888 -11.330 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.687 -12.920 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.167 -12.712 -0.354 1.00 0.00 H new ATOM 578 N GLY A 61 7.634 -12.388 3.340 1.00 0.00 N ATOM 579 CA GLY A 61 8.980 -12.608 3.842 1.00 0.00 C ATOM 580 C GLY A 61 10.014 -12.456 2.725 1.00 0.00 C ATOM 581 O GLY A 61 11.216 -12.436 2.985 1.00 0.00 O ATOM 0 H GLY A 61 7.505 -11.510 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.195 -11.897 4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.052 -13.606 4.275 1.00 0.00 H new ATOM 585 N PHE A 62 9.509 -12.352 1.505 1.00 0.00 N ATOM 586 CA PHE A 62 10.374 -12.201 0.347 1.00 0.00 C ATOM 587 C PHE A 62 9.958 -10.993 -0.495 1.00 0.00 C ATOM 588 O PHE A 62 8.791 -10.607 -0.498 1.00 0.00 O ATOM 589 CB PHE A 62 10.221 -13.471 -0.494 1.00 0.00 C ATOM 590 CG PHE A 62 8.781 -13.979 -0.597 1.00 0.00 C ATOM 591 CD1 PHE A 62 7.924 -13.417 -1.492 1.00 0.00 C ATOM 592 CD2 PHE A 62 8.359 -14.991 0.206 1.00 0.00 C ATOM 593 CE1 PHE A 62 6.588 -13.889 -1.588 1.00 0.00 C ATOM 594 CE2 PHE A 62 7.023 -15.462 0.110 1.00 0.00 C ATOM 595 CZ PHE A 62 6.166 -14.902 -0.784 1.00 0.00 C ATOM 0 H PHE A 62 8.511 -12.369 1.293 1.00 0.00 H new ATOM 0 HA PHE A 62 11.404 -12.048 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.600 -13.278 -1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.843 -14.256 -0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.260 -12.612 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.039 -15.437 0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.907 -13.444 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.687 -16.266 0.748 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.150 -15.261 -0.856 1.00 0.00 H new ATOM 604 N GLU A 63 10.937 -10.430 -1.188 1.00 0.00 N ATOM 605 CA GLU A 63 10.688 -9.274 -2.032 1.00 0.00 C ATOM 606 C GLU A 63 9.798 -9.662 -3.215 1.00 0.00 C ATOM 607 O GLU A 63 10.232 -10.385 -4.111 1.00 0.00 O ATOM 608 CB GLU A 63 12.000 -8.653 -2.514 1.00 0.00 C ATOM 609 CG GLU A 63 11.822 -7.165 -2.825 1.00 0.00 C ATOM 610 CD GLU A 63 12.986 -6.345 -2.265 1.00 0.00 C ATOM 611 OE1 GLU A 63 12.996 -6.142 -1.031 1.00 0.00 O ATOM 612 OE2 GLU A 63 13.840 -5.940 -3.083 1.00 0.00 O ATOM 0 H GLU A 63 11.904 -10.753 -1.182 1.00 0.00 H new ATOM 0 HA GLU A 63 10.165 -8.523 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.768 -8.779 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.348 -9.175 -3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.756 -7.020 -3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.884 -6.810 -2.398 1.00 0.00 H new ATOM 617 N ASP A 64 8.572 -9.163 -3.180 1.00 0.00 N ATOM 618 CA ASP A 64 7.618 -9.448 -4.239 1.00 0.00 C ATOM 619 C ASP A 64 7.957 -8.602 -5.468 1.00 0.00 C ATOM 620 O ASP A 64 9.012 -7.971 -5.519 1.00 0.00 O ATOM 621 CB ASP A 64 6.192 -9.100 -3.805 1.00 0.00 C ATOM 622 CG ASP A 64 5.652 -9.928 -2.635 1.00 0.00 C ATOM 623 OD1 ASP A 64 6.171 -11.050 -2.447 1.00 0.00 O ATOM 624 OD2 ASP A 64 4.734 -9.420 -1.957 1.00 0.00 O ATOM 0 H ASP A 64 8.217 -8.563 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 64 7.677 -10.512 -4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.159 -8.046 -3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.527 -9.228 -4.659 1.00 0.00 H new ATOM 628 N ASP A 65 7.043 -8.617 -6.428 1.00 0.00 N ATOM 629 CA ASP A 65 7.233 -7.859 -7.652 1.00 0.00 C ATOM 630 C ASP A 65 5.870 -7.565 -8.280 1.00 0.00 C ATOM 631 O ASP A 65 5.580 -6.423 -8.637 1.00 0.00 O ATOM 632 CB ASP A 65 8.060 -8.649 -8.667 1.00 0.00 C ATOM 633 CG ASP A 65 9.508 -8.179 -8.827 1.00 0.00 C ATOM 634 OD1 ASP A 65 9.763 -7.003 -8.492 1.00 0.00 O ATOM 635 OD2 ASP A 65 10.327 -9.008 -9.282 1.00 0.00 O ATOM 0 H ASP A 65 6.170 -9.142 -6.382 1.00 0.00 H new ATOM 0 HA ASP A 65 7.757 -6.937 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.065 -9.698 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.566 -8.594 -9.637 1.00 0.00 H new ATOM 639 N VAL A 66 5.069 -8.613 -8.398 1.00 0.00 N ATOM 640 CA VAL A 66 3.743 -8.482 -8.977 1.00 0.00 C ATOM 641 C VAL A 66 2.884 -7.591 -8.077 1.00 0.00 C ATOM 642 O VAL A 66 2.156 -6.728 -8.565 1.00 0.00 O ATOM 643 CB VAL A 66 3.133 -9.866 -9.207 1.00 0.00 C ATOM 644 CG1 VAL A 66 2.060 -10.173 -8.161 1.00 0.00 C ATOM 645 CG2 VAL A 66 2.568 -9.988 -10.624 1.00 0.00 C ATOM 0 H VAL A 66 5.313 -9.558 -8.102 1.00 0.00 H new ATOM 0 HA VAL A 66 3.798 -8.000 -9.953 1.00 0.00 H new ATOM 0 HB VAL A 66 3.928 -10.604 -9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.643 -11.163 -8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.504 -10.148 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.267 -9.427 -8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.141 -10.981 -10.761 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.793 -9.236 -10.773 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.367 -9.834 -11.349 1.00 0.00 H new ATOM 655 N VAL A 67 2.997 -7.833 -6.780 1.00 0.00 N ATOM 656 CA VAL A 67 2.239 -7.063 -5.807 1.00 0.00 C ATOM 657 C VAL A 67 2.808 -5.645 -5.730 1.00 0.00 C ATOM 658 O VAL A 67 2.056 -4.673 -5.686 1.00 0.00 O ATOM 659 CB VAL A 67 2.240 -7.782 -4.456 1.00 0.00 C ATOM 660 CG1 VAL A 67 2.269 -9.300 -4.643 1.00 0.00 C ATOM 661 CG2 VAL A 67 3.409 -7.313 -3.587 1.00 0.00 C ATOM 0 H VAL A 67 3.601 -8.551 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 67 1.197 -6.978 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 67 1.315 -7.527 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.269 -9.787 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.390 -9.614 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.169 -9.582 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.387 -7.839 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.349 -7.525 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.325 -6.240 -3.412 1.00 0.00 H new ATOM 671 N ILE A 68 4.131 -5.572 -5.717 1.00 0.00 N ATOM 672 CA ILE A 68 4.809 -4.289 -5.647 1.00 0.00 C ATOM 673 C ILE A 68 4.436 -3.451 -6.871 1.00 0.00 C ATOM 674 O ILE A 68 4.081 -2.281 -6.742 1.00 0.00 O ATOM 675 CB ILE A 68 6.316 -4.488 -5.474 1.00 0.00 C ATOM 676 CG1 ILE A 68 6.622 -5.292 -4.208 1.00 0.00 C ATOM 677 CG2 ILE A 68 7.053 -3.147 -5.493 1.00 0.00 C ATOM 678 CD1 ILE A 68 8.045 -5.854 -4.246 1.00 0.00 C ATOM 0 H ILE A 68 4.751 -6.381 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 68 4.481 -3.733 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 68 6.682 -5.069 -6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.502 -4.656 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.907 -6.109 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.122 -3.318 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.874 -2.647 -6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.688 -2.520 -4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.237 -6.421 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.155 -6.509 -5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.758 -5.033 -4.320 1.00 0.00 H new ATOM 689 N GLU A 69 4.528 -4.085 -8.032 1.00 0.00 N ATOM 690 CA GLU A 69 4.204 -3.412 -9.278 1.00 0.00 C ATOM 691 C GLU A 69 2.775 -2.869 -9.233 1.00 0.00 C ATOM 692 O GLU A 69 2.519 -1.747 -9.667 1.00 0.00 O ATOM 693 CB GLU A 69 4.397 -4.350 -10.472 1.00 0.00 C ATOM 694 CG GLU A 69 5.677 -4.007 -11.237 1.00 0.00 C ATOM 695 CD GLU A 69 5.449 -4.077 -12.748 1.00 0.00 C ATOM 696 OE1 GLU A 69 4.753 -5.024 -13.173 1.00 0.00 O ATOM 697 OE2 GLU A 69 5.975 -3.182 -13.444 1.00 0.00 O ATOM 0 H GLU A 69 4.822 -5.056 -8.135 1.00 0.00 H new ATOM 0 HA GLU A 69 4.886 -2.571 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.442 -5.382 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.539 -4.276 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.012 -3.007 -10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.471 -4.698 -10.953 1.00 0.00 H new ATOM 702 N PHE A 70 1.880 -3.691 -8.704 1.00 0.00 N ATOM 703 CA PHE A 70 0.483 -3.307 -8.596 1.00 0.00 C ATOM 704 C PHE A 70 0.331 -2.009 -7.803 1.00 0.00 C ATOM 705 O PHE A 70 -0.399 -1.108 -8.213 1.00 0.00 O ATOM 706 CB PHE A 70 -0.234 -4.434 -7.850 1.00 0.00 C ATOM 707 CG PHE A 70 -0.878 -5.476 -8.766 1.00 0.00 C ATOM 708 CD1 PHE A 70 -1.693 -5.079 -9.780 1.00 0.00 C ATOM 709 CD2 PHE A 70 -0.635 -6.799 -8.567 1.00 0.00 C ATOM 710 CE1 PHE A 70 -2.292 -6.047 -10.630 1.00 0.00 C ATOM 711 CE2 PHE A 70 -1.232 -7.766 -9.417 1.00 0.00 C ATOM 712 CZ PHE A 70 -2.048 -7.370 -10.431 1.00 0.00 C ATOM 0 H PHE A 70 2.096 -4.621 -8.346 1.00 0.00 H new ATOM 0 HA PHE A 70 0.064 -3.145 -9.589 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.480 -4.933 -7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.004 -4.001 -7.212 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.885 -4.028 -9.939 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.012 -7.114 -7.762 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.941 -5.732 -11.434 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.038 -8.817 -9.259 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.502 -8.106 -11.078 1.00 0.00 H new ATOM 721 N ILE A 71 1.033 -1.952 -6.681 1.00 0.00 N ATOM 722 CA ILE A 71 0.985 -0.778 -5.826 1.00 0.00 C ATOM 723 C ILE A 71 1.715 0.378 -6.513 1.00 0.00 C ATOM 724 O ILE A 71 1.193 1.489 -6.588 1.00 0.00 O ATOM 725 CB ILE A 71 1.528 -1.107 -4.433 1.00 0.00 C ATOM 726 CG1 ILE A 71 0.726 -2.239 -3.786 1.00 0.00 C ATOM 727 CG2 ILE A 71 1.569 0.143 -3.552 1.00 0.00 C ATOM 728 CD1 ILE A 71 1.633 -3.420 -3.435 1.00 0.00 C ATOM 0 H ILE A 71 1.639 -2.700 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.046 -0.459 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 71 2.554 -1.459 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.234 -1.873 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.060 -2.568 -4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.958 -0.118 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.215 0.891 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.562 0.548 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.039 -4.211 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.104 -3.799 -4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.403 -3.093 -2.736 1.00 0.00 H new ATOM 739 N PHE A 72 2.911 0.076 -6.995 1.00 0.00 N ATOM 740 CA PHE A 72 3.719 1.077 -7.674 1.00 0.00 C ATOM 741 C PHE A 72 2.993 1.624 -8.904 1.00 0.00 C ATOM 742 O PHE A 72 2.901 2.838 -9.086 1.00 0.00 O ATOM 743 CB PHE A 72 5.006 0.383 -8.122 1.00 0.00 C ATOM 744 CG PHE A 72 6.268 1.227 -7.931 1.00 0.00 C ATOM 745 CD1 PHE A 72 6.171 2.580 -7.826 1.00 0.00 C ATOM 746 CD2 PHE A 72 7.486 0.625 -7.867 1.00 0.00 C ATOM 747 CE1 PHE A 72 7.342 3.364 -7.648 1.00 0.00 C ATOM 748 CE2 PHE A 72 8.657 1.410 -7.689 1.00 0.00 C ATOM 749 CZ PHE A 72 8.559 2.762 -7.583 1.00 0.00 C ATOM 0 H PHE A 72 3.341 -0.847 -6.929 1.00 0.00 H new ATOM 0 HA PHE A 72 3.920 1.912 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.117 -0.548 -7.566 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.915 0.117 -9.175 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.204 3.058 -7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.563 -0.449 -7.951 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.265 4.438 -7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.625 0.933 -7.638 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.449 3.358 -7.447 1.00 0.00 H new ATOM 758 N ASN A 73 2.496 0.704 -9.717 1.00 0.00 N ATOM 759 CA ASN A 73 1.782 1.080 -10.925 1.00 0.00 C ATOM 760 C ASN A 73 0.522 1.859 -10.545 1.00 0.00 C ATOM 761 O ASN A 73 0.170 2.838 -11.204 1.00 0.00 O ATOM 762 CB ASN A 73 1.351 -0.157 -11.717 1.00 0.00 C ATOM 763 CG ASN A 73 2.495 -0.672 -12.593 1.00 0.00 C ATOM 764 OD1 ASN A 73 2.502 -0.521 -13.803 1.00 0.00 O ATOM 765 ND2 ASN A 73 3.459 -1.289 -11.915 1.00 0.00 N ATOM 0 H ASN A 73 2.574 -0.301 -9.563 1.00 0.00 H new ATOM 0 HA ASN A 73 2.450 1.686 -11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.033 -0.941 -11.030 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.492 0.087 -12.341 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.266 -1.670 -12.409 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.391 -1.381 -10.901 1.00 0.00 H new ATOM 771 N GLN A 74 -0.124 1.398 -9.485 1.00 0.00 N ATOM 772 CA GLN A 74 -1.338 2.041 -9.010 1.00 0.00 C ATOM 773 C GLN A 74 -1.008 3.385 -8.359 1.00 0.00 C ATOM 774 O GLN A 74 -1.740 4.358 -8.529 1.00 0.00 O ATOM 775 CB GLN A 74 -2.094 1.132 -8.038 1.00 0.00 C ATOM 776 CG GLN A 74 -2.954 0.115 -8.792 1.00 0.00 C ATOM 777 CD GLN A 74 -2.206 -0.439 -10.007 1.00 0.00 C ATOM 778 OE1 GLN A 74 -1.823 0.280 -10.915 1.00 0.00 O ATOM 779 NE2 GLN A 74 -2.021 -1.756 -9.973 1.00 0.00 N ATOM 0 H GLN A 74 0.170 0.587 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.988 2.225 -9.866 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.384 0.609 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.726 1.736 -7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.227 -0.702 -8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.882 0.586 -9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.367 -2.299 -9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.533 -2.222 -10.738 1.00 0.00 H new ATOM 786 N LEU A 75 0.098 3.396 -7.629 1.00 0.00 N ATOM 787 CA LEU A 75 0.536 4.606 -6.953 1.00 0.00 C ATOM 788 C LEU A 75 1.209 5.536 -7.964 1.00 0.00 C ATOM 789 O LEU A 75 1.568 6.664 -7.632 1.00 0.00 O ATOM 790 CB LEU A 75 1.419 4.259 -5.752 1.00 0.00 C ATOM 791 CG LEU A 75 0.712 3.596 -4.570 1.00 0.00 C ATOM 792 CD1 LEU A 75 1.671 3.410 -3.392 1.00 0.00 C ATOM 793 CD2 LEU A 75 -0.540 4.379 -4.170 1.00 0.00 C ATOM 0 H LEU A 75 0.704 2.587 -7.491 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.319 5.145 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.216 3.597 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.894 5.174 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 75 0.386 2.603 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.143 2.936 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.506 2.779 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.048 4.382 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.024 3.886 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.259 5.393 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.230 4.417 -5.013 1.00 0.00 H new ATOM 804 N GLU A 76 1.360 5.027 -9.178 1.00 0.00 N ATOM 805 CA GLU A 76 1.985 5.798 -10.240 1.00 0.00 C ATOM 806 C GLU A 76 0.976 6.771 -10.853 1.00 0.00 C ATOM 807 O GLU A 76 1.311 7.525 -11.765 1.00 0.00 O ATOM 808 CB GLU A 76 2.578 4.878 -11.309 1.00 0.00 C ATOM 809 CG GLU A 76 4.032 4.527 -10.985 1.00 0.00 C ATOM 810 CD GLU A 76 4.957 4.896 -12.147 1.00 0.00 C ATOM 811 OE1 GLU A 76 4.682 4.413 -13.266 1.00 0.00 O ATOM 812 OE2 GLU A 76 5.918 5.653 -11.889 1.00 0.00 O ATOM 0 H GLU A 76 1.061 4.091 -9.450 1.00 0.00 H new ATOM 0 HA GLU A 76 2.803 6.376 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.986 3.965 -11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.526 5.365 -12.283 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.345 5.055 -10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.114 3.461 -10.774 1.00 0.00 H new ATOM 817 N VAL A 77 -0.239 6.724 -10.327 1.00 0.00 N ATOM 818 CA VAL A 77 -1.298 7.592 -10.811 1.00 0.00 C ATOM 819 C VAL A 77 -1.615 8.645 -9.747 1.00 0.00 C ATOM 820 O VAL A 77 -0.914 8.747 -8.740 1.00 0.00 O ATOM 821 CB VAL A 77 -2.519 6.758 -11.208 1.00 0.00 C ATOM 822 CG1 VAL A 77 -2.104 5.543 -12.041 1.00 0.00 C ATOM 823 CG2 VAL A 77 -3.316 6.331 -9.974 1.00 0.00 C ATOM 0 H VAL A 77 -0.513 6.098 -9.570 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.977 8.122 -11.708 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.166 7.382 -11.824 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.989 4.967 -12.310 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.600 5.878 -12.947 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.427 4.917 -11.459 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.178 5.740 -10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.682 5.732 -9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.657 7.216 -9.437 1.00 0.00 H new ATOM 833 N LYS A 78 -2.673 9.400 -10.003 1.00 0.00 N ATOM 834 CA LYS A 78 -3.092 10.441 -9.079 1.00 0.00 C ATOM 835 C LYS A 78 -4.230 9.913 -8.204 1.00 0.00 C ATOM 836 O LYS A 78 -4.495 10.453 -7.132 1.00 0.00 O ATOM 837 CB LYS A 78 -3.444 11.721 -9.840 1.00 0.00 C ATOM 838 CG LYS A 78 -2.231 12.257 -10.604 1.00 0.00 C ATOM 839 CD LYS A 78 -2.176 11.681 -12.019 1.00 0.00 C ATOM 840 CE LYS A 78 -0.737 11.639 -12.539 1.00 0.00 C ATOM 841 NZ LYS A 78 -0.677 12.123 -13.936 1.00 0.00 N ATOM 0 H LYS A 78 -3.253 9.312 -10.837 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.274 10.709 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.258 11.522 -10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.801 12.477 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.279 13.345 -10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.317 12.001 -10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.597 10.676 -12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.790 12.286 -12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.097 12.255 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.354 10.620 -12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.306 12.088 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.272 11.519 -14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.023 13.103 -13.979 1.00 0.00 H new ATOM 851 N ASN A 79 -4.871 8.861 -8.694 1.00 0.00 N ATOM 852 CA ASN A 79 -5.973 8.254 -7.969 1.00 0.00 C ATOM 853 C ASN A 79 -5.896 6.733 -8.112 1.00 0.00 C ATOM 854 O ASN A 79 -6.449 6.165 -9.053 1.00 0.00 O ATOM 855 CB ASN A 79 -7.321 8.713 -8.529 1.00 0.00 C ATOM 856 CG ASN A 79 -8.076 9.569 -7.510 1.00 0.00 C ATOM 857 OD1 ASN A 79 -9.164 9.237 -7.067 1.00 0.00 O ATOM 858 ND2 ASN A 79 -7.441 10.685 -7.163 1.00 0.00 N ATOM 0 H ASN A 79 -4.648 8.415 -9.584 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.895 8.555 -6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.163 9.285 -9.443 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.923 7.844 -8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.863 11.323 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.532 10.903 -7.572 1.00 0.00 H new ATOM 864 N PRO A 80 -5.188 6.099 -7.140 1.00 0.00 N ATOM 865 CA PRO A 80 -5.031 4.655 -7.149 1.00 0.00 C ATOM 866 C PRO A 80 -6.321 3.960 -6.710 1.00 0.00 C ATOM 867 O PRO A 80 -7.099 4.518 -5.937 1.00 0.00 O ATOM 868 CB PRO A 80 -3.861 4.380 -6.218 1.00 0.00 C ATOM 869 CG PRO A 80 -3.706 5.628 -5.365 1.00 0.00 C ATOM 870 CD PRO A 80 -4.519 6.738 -6.010 1.00 0.00 C ATOM 0 HA PRO A 80 -4.831 4.260 -8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.053 3.504 -5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.951 4.178 -6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.054 5.441 -4.349 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.657 5.915 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.240 7.159 -5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.880 7.557 -6.340 1.00 0.00 H new ATOM 875 N ASP A 81 -6.510 2.752 -7.221 1.00 0.00 N ATOM 876 CA ASP A 81 -7.693 1.976 -6.891 1.00 0.00 C ATOM 877 C ASP A 81 -7.368 1.027 -5.736 1.00 0.00 C ATOM 878 O ASP A 81 -6.921 -0.098 -5.959 1.00 0.00 O ATOM 879 CB ASP A 81 -8.148 1.132 -8.084 1.00 0.00 C ATOM 880 CG ASP A 81 -9.355 0.231 -7.815 1.00 0.00 C ATOM 881 OD1 ASP A 81 -10.225 0.667 -7.030 1.00 0.00 O ATOM 882 OD2 ASP A 81 -9.380 -0.873 -8.400 1.00 0.00 O ATOM 0 H ASP A 81 -5.863 2.292 -7.861 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.487 2.670 -6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.389 1.799 -8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.314 0.510 -8.409 1.00 0.00 H new ATOM 886 N SER A 82 -7.606 1.513 -4.528 1.00 0.00 N ATOM 887 CA SER A 82 -7.345 0.722 -3.337 1.00 0.00 C ATOM 888 C SER A 82 -7.985 -0.660 -3.477 1.00 0.00 C ATOM 889 O SER A 82 -7.443 -1.653 -2.992 1.00 0.00 O ATOM 890 CB SER A 82 -7.868 1.424 -2.083 1.00 0.00 C ATOM 891 OG SER A 82 -7.408 0.797 -0.888 1.00 0.00 O ATOM 0 H SER A 82 -7.977 2.446 -4.347 1.00 0.00 H new ATOM 0 HA SER A 82 -6.266 0.608 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.549 2.466 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.958 1.424 -2.096 1.00 0.00 H new ATOM 0 HG SER A 82 -7.344 1.464 -0.172 1.00 0.00 H new ATOM 896 N LYS A 83 -9.131 -0.683 -4.142 1.00 0.00 N ATOM 897 CA LYS A 83 -9.851 -1.927 -4.351 1.00 0.00 C ATOM 898 C LYS A 83 -8.947 -2.917 -5.088 1.00 0.00 C ATOM 899 O LYS A 83 -8.811 -4.067 -4.673 1.00 0.00 O ATOM 900 CB LYS A 83 -11.180 -1.664 -5.061 1.00 0.00 C ATOM 901 CG LYS A 83 -12.143 -0.895 -4.155 1.00 0.00 C ATOM 902 CD LYS A 83 -12.210 0.582 -4.553 1.00 0.00 C ATOM 903 CE LYS A 83 -12.267 1.481 -3.316 1.00 0.00 C ATOM 904 NZ LYS A 83 -12.976 2.742 -3.624 1.00 0.00 N ATOM 0 H LYS A 83 -9.579 0.141 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.111 -2.382 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.002 -1.096 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.632 -2.611 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.137 -1.337 -4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.819 -0.981 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.339 0.840 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.089 0.756 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.775 0.960 -2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.256 1.700 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.006 3.340 -2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.475 3.245 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.946 2.529 -3.931 1.00 0.00 H new ATOM 914 N MET A 84 -8.350 -2.434 -6.168 1.00 0.00 N ATOM 915 CA MET A 84 -7.462 -3.263 -6.966 1.00 0.00 C ATOM 916 C MET A 84 -6.212 -3.649 -6.173 1.00 0.00 C ATOM 917 O MET A 84 -5.669 -4.737 -6.354 1.00 0.00 O ATOM 918 CB MET A 84 -7.052 -2.501 -8.228 1.00 0.00 C ATOM 919 CG MET A 84 -7.870 -2.962 -9.436 1.00 0.00 C ATOM 920 SD MET A 84 -7.081 -4.364 -10.210 1.00 0.00 S ATOM 921 CE MET A 84 -7.750 -5.685 -9.213 1.00 0.00 C ATOM 0 H MET A 84 -8.464 -1.479 -6.509 1.00 0.00 H new ATOM 0 HA MET A 84 -7.992 -4.176 -7.237 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.195 -1.431 -8.074 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.991 -2.656 -8.422 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.879 -3.230 -9.121 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.966 -2.147 -10.153 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.758 -6.609 -9.791 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.133 -5.819 -8.324 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.768 -5.435 -8.914 1.00 0.00 H new ATOM 929 N MET A 85 -5.792 -2.735 -5.310 1.00 0.00 N ATOM 930 CA MET A 85 -4.617 -2.965 -4.488 1.00 0.00 C ATOM 931 C MET A 85 -4.827 -4.159 -3.553 1.00 0.00 C ATOM 932 O MET A 85 -4.013 -5.080 -3.525 1.00 0.00 O ATOM 933 CB MET A 85 -4.318 -1.714 -3.660 1.00 0.00 C ATOM 934 CG MET A 85 -2.866 -1.270 -3.843 1.00 0.00 C ATOM 935 SD MET A 85 -2.649 -0.539 -5.457 1.00 0.00 S ATOM 936 CE MET A 85 -2.963 1.174 -5.066 1.00 0.00 C ATOM 0 H MET A 85 -6.245 -1.833 -5.163 1.00 0.00 H new ATOM 0 HA MET A 85 -3.775 -3.185 -5.145 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.989 -0.908 -3.957 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.510 -1.916 -2.606 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.597 -0.550 -3.070 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.199 -2.124 -3.729 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.845 1.515 -5.608 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.133 1.277 -3.994 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.103 1.777 -5.357 1.00 0.00 H new ATOM 944 N GLN A 86 -5.923 -4.102 -2.812 1.00 0.00 N ATOM 945 CA GLN A 86 -6.250 -5.167 -1.878 1.00 0.00 C ATOM 946 C GLN A 86 -6.610 -6.446 -2.637 1.00 0.00 C ATOM 947 O GLN A 86 -6.329 -7.549 -2.170 1.00 0.00 O ATOM 948 CB GLN A 86 -7.386 -4.746 -0.943 1.00 0.00 C ATOM 949 CG GLN A 86 -6.987 -4.932 0.522 1.00 0.00 C ATOM 950 CD GLN A 86 -8.095 -5.638 1.306 1.00 0.00 C ATOM 951 OE1 GLN A 86 -8.838 -5.033 2.062 1.00 0.00 O ATOM 952 NE2 GLN A 86 -8.164 -6.948 1.086 1.00 0.00 N ATOM 0 H GLN A 86 -6.596 -3.336 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.373 -5.367 -1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.643 -3.702 -1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.277 -5.336 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.067 -5.514 0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.780 -3.961 0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.511 -7.392 0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.870 -7.509 1.563 1.00 0.00 H new ATOM 959 N ILE A 87 -7.226 -6.256 -3.794 1.00 0.00 N ATOM 960 CA ILE A 87 -7.627 -7.381 -4.621 1.00 0.00 C ATOM 961 C ILE A 87 -6.379 -8.074 -5.171 1.00 0.00 C ATOM 962 O ILE A 87 -6.313 -9.302 -5.209 1.00 0.00 O ATOM 963 CB ILE A 87 -8.606 -6.927 -5.706 1.00 0.00 C ATOM 964 CG1 ILE A 87 -10.037 -6.875 -5.167 1.00 0.00 C ATOM 965 CG2 ILE A 87 -8.494 -7.809 -6.951 1.00 0.00 C ATOM 966 CD1 ILE A 87 -10.853 -5.794 -5.880 1.00 0.00 C ATOM 0 H ILE A 87 -7.457 -5.340 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.166 -8.118 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.338 -5.914 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.516 -7.845 -5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.019 -6.675 -4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.201 -7.464 -7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.481 -7.750 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.721 -8.842 -6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.866 -5.778 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.385 -4.822 -5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.890 -6.011 -6.948 1.00 0.00 H new ATOM 977 N ASN A 88 -5.421 -7.259 -5.583 1.00 0.00 N ATOM 978 CA ASN A 88 -4.179 -7.778 -6.130 1.00 0.00 C ATOM 979 C ASN A 88 -3.321 -8.337 -4.992 1.00 0.00 C ATOM 980 O ASN A 88 -2.745 -9.418 -5.118 1.00 0.00 O ATOM 981 CB ASN A 88 -3.378 -6.675 -6.826 1.00 0.00 C ATOM 982 CG ASN A 88 -3.904 -6.428 -8.242 1.00 0.00 C ATOM 983 OD1 ASN A 88 -4.167 -7.344 -9.004 1.00 0.00 O ATOM 984 ND2 ASN A 88 -4.044 -5.141 -8.549 1.00 0.00 N ATOM 0 H ASN A 88 -5.479 -6.241 -5.549 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.428 -8.554 -6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.439 -5.754 -6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.326 -6.956 -6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.390 -4.871 -9.470 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.805 -4.424 -7.864 1.00 0.00 H new ATOM 990 N LEU A 89 -3.264 -7.578 -3.908 1.00 0.00 N ATOM 991 CA LEU A 89 -2.487 -7.984 -2.750 1.00 0.00 C ATOM 992 C LEU A 89 -2.987 -9.343 -2.258 1.00 0.00 C ATOM 993 O LEU A 89 -2.190 -10.236 -1.973 1.00 0.00 O ATOM 994 CB LEU A 89 -2.514 -6.893 -1.678 1.00 0.00 C ATOM 995 CG LEU A 89 -1.578 -5.705 -1.905 1.00 0.00 C ATOM 996 CD1 LEU A 89 -1.428 -4.871 -0.631 1.00 0.00 C ATOM 997 CD2 LEU A 89 -0.224 -6.170 -2.446 1.00 0.00 C ATOM 0 H LEU A 89 -3.744 -6.683 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.438 -8.108 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.534 -6.516 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.265 -7.348 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.025 -5.060 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.757 -4.033 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.404 -4.493 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.016 -5.492 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.423 -5.306 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.240 -6.849 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.369 -6.687 -3.395 1.00 0.00 H new ATOM 1008 N THR A 90 -4.304 -9.459 -2.171 1.00 0.00 N ATOM 1009 CA THR A 90 -4.920 -10.694 -1.717 1.00 0.00 C ATOM 1010 C THR A 90 -4.510 -11.857 -2.623 1.00 0.00 C ATOM 1011 O THR A 90 -4.566 -13.016 -2.214 1.00 0.00 O ATOM 1012 CB THR A 90 -6.433 -10.474 -1.657 1.00 0.00 C ATOM 1013 OG1 THR A 90 -6.592 -9.406 -0.727 1.00 0.00 O ATOM 1014 CG2 THR A 90 -7.169 -11.646 -1.007 1.00 0.00 C ATOM 0 H THR A 90 -4.962 -8.717 -2.408 1.00 0.00 H new ATOM 0 HA THR A 90 -4.577 -10.964 -0.718 1.00 0.00 H new ATOM 0 HB THR A 90 -6.817 -10.318 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.854 -8.592 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.239 -11.439 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.984 -12.555 -1.580 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.809 -11.781 0.013 1.00 0.00 H new ATOM 1022 N GLY A 91 -4.110 -11.508 -3.837 1.00 0.00 N ATOM 1023 CA GLY A 91 -3.691 -12.509 -4.804 1.00 0.00 C ATOM 1024 C GLY A 91 -2.368 -13.154 -4.387 1.00 0.00 C ATOM 1025 O GLY A 91 -2.088 -14.295 -4.750 1.00 0.00 O ATOM 0 H GLY A 91 -4.067 -10.546 -4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.460 -13.276 -4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.582 -12.048 -5.786 1.00 0.00 H new ATOM 1029 N PHE A 92 -1.588 -12.394 -3.631 1.00 0.00 N ATOM 1030 CA PHE A 92 -0.301 -12.876 -3.162 1.00 0.00 C ATOM 1031 C PHE A 92 -0.303 -13.058 -1.643 1.00 0.00 C ATOM 1032 O PHE A 92 0.212 -14.050 -1.131 1.00 0.00 O ATOM 1033 CB PHE A 92 0.738 -11.817 -3.537 1.00 0.00 C ATOM 1034 CG PHE A 92 1.779 -12.297 -4.550 1.00 0.00 C ATOM 1035 CD1 PHE A 92 1.418 -12.523 -5.841 1.00 0.00 C ATOM 1036 CD2 PHE A 92 3.067 -12.497 -4.159 1.00 0.00 C ATOM 1037 CE1 PHE A 92 2.384 -12.968 -6.781 1.00 0.00 C ATOM 1038 CE2 PHE A 92 4.033 -12.942 -5.099 1.00 0.00 C ATOM 1039 CZ PHE A 92 3.672 -13.168 -6.390 1.00 0.00 C ATOM 0 H PHE A 92 -1.824 -11.448 -3.332 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.078 -13.842 -3.615 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.224 -10.947 -3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.250 -11.489 -2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.396 -12.364 -6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.354 -12.317 -3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.097 -13.148 -7.806 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.055 -13.101 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.407 -13.506 -7.105 1.00 0.00 H new ATOM 1048 N LEU A 93 -0.889 -12.082 -0.965 1.00 0.00 N ATOM 1049 CA LEU A 93 -0.966 -12.120 0.486 1.00 0.00 C ATOM 1050 C LEU A 93 -1.897 -13.257 0.913 1.00 0.00 C ATOM 1051 O LEU A 93 -2.259 -14.106 0.101 1.00 0.00 O ATOM 1052 CB LEU A 93 -1.371 -10.752 1.037 1.00 0.00 C ATOM 1053 CG LEU A 93 -0.591 -9.552 0.496 1.00 0.00 C ATOM 1054 CD1 LEU A 93 -0.679 -8.363 1.455 1.00 0.00 C ATOM 1055 CD2 LEU A 93 0.858 -9.935 0.189 1.00 0.00 C ATOM 0 H LEU A 93 -1.315 -11.260 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 93 0.013 -12.332 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.429 -10.597 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.261 -10.772 2.121 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.049 -9.242 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.116 -7.524 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.722 -8.073 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.261 -8.644 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.391 -9.065 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.343 -10.285 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.874 -10.728 -0.558 1.00 0.00 H new ATOM 1066 N ASN A 94 -2.259 -13.235 2.188 1.00 0.00 N ATOM 1067 CA ASN A 94 -3.141 -14.252 2.733 1.00 0.00 C ATOM 1068 C ASN A 94 -4.588 -13.759 2.659 1.00 0.00 C ATOM 1069 O ASN A 94 -5.522 -14.532 2.868 1.00 0.00 O ATOM 1070 CB ASN A 94 -2.814 -14.538 4.200 1.00 0.00 C ATOM 1071 CG ASN A 94 -1.507 -15.323 4.327 1.00 0.00 C ATOM 1072 OD1 ASN A 94 -1.480 -16.542 4.297 1.00 0.00 O ATOM 1073 ND2 ASN A 94 -0.428 -14.558 4.470 1.00 0.00 N ATOM 0 H ASN A 94 -1.957 -12.528 2.859 1.00 0.00 H new ATOM 0 HA ASN A 94 -3.005 -15.163 2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.733 -13.599 4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.628 -15.103 4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.493 -14.987 4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.521 -13.542 4.487 1.00 0.00 H new ATOM 1079 N GLY A 95 -4.728 -12.476 2.361 1.00 0.00 N ATOM 1080 CA GLY A 95 -6.044 -11.871 2.258 1.00 0.00 C ATOM 1081 C GLY A 95 -6.298 -10.906 3.418 1.00 0.00 C ATOM 1082 O GLY A 95 -6.621 -9.739 3.201 1.00 0.00 O ATOM 0 H GLY A 95 -3.951 -11.838 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.129 -11.337 1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.807 -12.650 2.255 1.00 0.00 H new ATOM 1086 N LYS A 96 -6.142 -11.429 4.625 1.00 0.00 N ATOM 1087 CA LYS A 96 -6.349 -10.630 5.821 1.00 0.00 C ATOM 1088 C LYS A 96 -5.260 -9.558 5.907 1.00 0.00 C ATOM 1089 O LYS A 96 -5.525 -8.431 6.324 1.00 0.00 O ATOM 1090 CB LYS A 96 -6.431 -11.525 7.057 1.00 0.00 C ATOM 1091 CG LYS A 96 -7.884 -11.730 7.491 1.00 0.00 C ATOM 1092 CD LYS A 96 -8.175 -13.211 7.750 1.00 0.00 C ATOM 1093 CE LYS A 96 -8.259 -13.990 6.435 1.00 0.00 C ATOM 1094 NZ LYS A 96 -8.271 -15.446 6.697 1.00 0.00 N ATOM 0 H LYS A 96 -5.874 -12.397 4.801 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.306 -10.110 5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.972 -12.490 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.864 -11.077 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.082 -11.153 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.555 -11.353 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.392 -13.635 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.112 -13.311 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.160 -13.704 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.411 -13.736 5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.328 -15.961 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.399 -15.716 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.094 -15.686 7.285 1.00 0.00 H new ATOM 1104 N ASN A 97 -4.059 -9.948 5.508 1.00 0.00 N ATOM 1105 CA ASN A 97 -2.929 -9.035 5.536 1.00 0.00 C ATOM 1106 C ASN A 97 -3.150 -7.924 4.508 1.00 0.00 C ATOM 1107 O ASN A 97 -2.695 -6.797 4.698 1.00 0.00 O ATOM 1108 CB ASN A 97 -1.629 -9.757 5.178 1.00 0.00 C ATOM 1109 CG ASN A 97 -0.623 -9.680 6.329 1.00 0.00 C ATOM 1110 OD1 ASN A 97 -0.647 -8.777 7.149 1.00 0.00 O ATOM 1111 ND2 ASN A 97 0.259 -10.675 6.345 1.00 0.00 N ATOM 0 H ASN A 97 -3.843 -10.884 5.164 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.850 -8.628 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.841 -10.800 4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.197 -9.312 4.282 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.971 -10.714 7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.223 -11.400 5.628 1.00 0.00 H new ATOM 1117 N ALA A 98 -3.850 -8.280 3.441 1.00 0.00 N ATOM 1118 CA ALA A 98 -4.138 -7.326 2.383 1.00 0.00 C ATOM 1119 C ALA A 98 -5.031 -6.213 2.934 1.00 0.00 C ATOM 1120 O ALA A 98 -4.869 -5.047 2.577 1.00 0.00 O ATOM 1121 CB ALA A 98 -4.778 -8.055 1.200 1.00 0.00 C ATOM 0 H ALA A 98 -4.226 -9.215 3.286 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.219 -6.863 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.994 -7.340 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.092 -8.815 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.704 -8.530 1.523 1.00 0.00 H new ATOM 1127 N ARG A 99 -5.955 -6.612 3.796 1.00 0.00 N ATOM 1128 CA ARG A 99 -6.875 -5.662 4.400 1.00 0.00 C ATOM 1129 C ARG A 99 -6.137 -4.776 5.407 1.00 0.00 C ATOM 1130 O ARG A 99 -6.389 -3.575 5.482 1.00 0.00 O ATOM 1131 CB ARG A 99 -8.022 -6.382 5.112 1.00 0.00 C ATOM 1132 CG ARG A 99 -9.322 -6.260 4.316 1.00 0.00 C ATOM 1133 CD ARG A 99 -10.492 -6.885 5.079 1.00 0.00 C ATOM 1134 NE ARG A 99 -10.435 -6.493 6.504 1.00 0.00 N ATOM 1135 CZ ARG A 99 -9.746 -7.161 7.440 1.00 0.00 C ATOM 1136 NH1 ARG A 99 -9.053 -8.259 7.105 1.00 0.00 N ATOM 1137 NH2 ARG A 99 -9.750 -6.732 8.709 1.00 0.00 N ATOM 0 H ARG A 99 -6.087 -7.580 4.091 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.287 -5.046 3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.770 -7.434 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.160 -5.960 6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.533 -5.209 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.209 -6.752 3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.436 -6.561 4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.456 -7.971 4.990 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.952 -5.663 6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.050 -8.585 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.528 -8.768 7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.277 -5.897 8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.226 -7.241 9.421 1.00 0.00 H new ATOM 1148 N GLU A 100 -5.240 -5.403 6.153 1.00 0.00 N ATOM 1149 CA GLU A 100 -4.463 -4.686 7.150 1.00 0.00 C ATOM 1150 C GLU A 100 -3.390 -3.831 6.474 1.00 0.00 C ATOM 1151 O GLU A 100 -3.094 -2.726 6.928 1.00 0.00 O ATOM 1152 CB GLU A 100 -3.839 -5.653 8.158 1.00 0.00 C ATOM 1153 CG GLU A 100 -4.550 -5.570 9.511 1.00 0.00 C ATOM 1154 CD GLU A 100 -4.726 -6.961 10.124 1.00 0.00 C ATOM 1155 OE1 GLU A 100 -5.532 -7.732 9.560 1.00 0.00 O ATOM 1156 OE2 GLU A 100 -4.049 -7.222 11.142 1.00 0.00 O ATOM 0 H GLU A 100 -5.034 -6.400 6.087 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.134 -4.025 7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.898 -6.672 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.782 -5.420 8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.976 -4.940 10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.524 -5.098 9.385 1.00 0.00 H new ATOM 1161 N PHE A 101 -2.837 -4.373 5.399 1.00 0.00 N ATOM 1162 CA PHE A 101 -1.803 -3.673 4.656 1.00 0.00 C ATOM 1163 C PHE A 101 -2.329 -2.350 4.097 1.00 0.00 C ATOM 1164 O PHE A 101 -1.708 -1.304 4.280 1.00 0.00 O ATOM 1165 CB PHE A 101 -1.399 -4.580 3.491 1.00 0.00 C ATOM 1166 CG PHE A 101 -0.568 -3.877 2.416 1.00 0.00 C ATOM 1167 CD1 PHE A 101 -1.184 -3.138 1.454 1.00 0.00 C ATOM 1168 CD2 PHE A 101 0.787 -3.991 2.420 1.00 0.00 C ATOM 1169 CE1 PHE A 101 -0.413 -2.486 0.455 1.00 0.00 C ATOM 1170 CE2 PHE A 101 1.559 -3.339 1.422 1.00 0.00 C ATOM 1171 CZ PHE A 101 0.942 -2.601 0.461 1.00 0.00 C ATOM 0 H PHE A 101 -3.085 -5.289 5.025 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.961 -3.450 5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.831 -5.424 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.300 -4.987 3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.260 -3.047 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.277 -4.578 3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.902 -1.900 -0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.635 -3.429 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.529 -2.106 -0.298 1.00 0.00 H new ATOM 1180 N MET A 102 -3.470 -2.438 3.429 1.00 0.00 N ATOM 1181 CA MET A 102 -4.087 -1.260 2.843 1.00 0.00 C ATOM 1182 C MET A 102 -4.546 -0.285 3.929 1.00 0.00 C ATOM 1183 O MET A 102 -4.499 0.930 3.737 1.00 0.00 O ATOM 1184 CB MET A 102 -5.288 -1.682 1.994 1.00 0.00 C ATOM 1185 CG MET A 102 -4.834 -2.317 0.678 1.00 0.00 C ATOM 1186 SD MET A 102 -3.764 -1.193 -0.204 1.00 0.00 S ATOM 1187 CE MET A 102 -4.962 0.014 -0.747 1.00 0.00 C ATOM 0 H MET A 102 -3.983 -3.307 3.281 1.00 0.00 H new ATOM 0 HA MET A 102 -3.348 -0.758 2.219 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.901 -2.391 2.551 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.914 -0.814 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.309 -3.251 0.877 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.701 -2.563 0.065 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.479 0.735 -1.406 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.766 -0.488 -1.286 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.374 0.533 0.119 1.00 0.00 H new ATOM 1195 N GLY A 103 -4.980 -0.851 5.044 1.00 0.00 N ATOM 1196 CA GLY A 103 -5.447 -0.047 6.161 1.00 0.00 C ATOM 1197 C GLY A 103 -4.271 0.553 6.934 1.00 0.00 C ATOM 1198 O GLY A 103 -4.450 1.085 8.028 1.00 0.00 O ATOM 0 H GLY A 103 -5.018 -1.858 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.091 0.752 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.050 -0.662 6.829 1.00 0.00 H new ATOM 1202 N GLU A 104 -3.095 0.447 6.335 1.00 0.00 N ATOM 1203 CA GLU A 104 -1.889 0.972 6.953 1.00 0.00 C ATOM 1204 C GLU A 104 -1.154 1.897 5.981 1.00 0.00 C ATOM 1205 O GLU A 104 -0.498 2.850 6.401 1.00 0.00 O ATOM 1206 CB GLU A 104 -0.978 -0.161 7.428 1.00 0.00 C ATOM 1207 CG GLU A 104 -1.447 -0.714 8.775 1.00 0.00 C ATOM 1208 CD GLU A 104 -0.319 -0.670 9.809 1.00 0.00 C ATOM 1209 OE1 GLU A 104 -0.174 0.395 10.447 1.00 0.00 O ATOM 1210 OE2 GLU A 104 0.372 -1.703 9.937 1.00 0.00 O ATOM 0 H GLU A 104 -2.951 0.005 5.427 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.177 1.553 7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.968 -0.960 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.045 0.204 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.297 -0.134 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.791 -1.741 8.651 1.00 0.00 H new ATOM 1215 N LEU A 105 -1.286 1.583 4.701 1.00 0.00 N ATOM 1216 CA LEU A 105 -0.642 2.374 3.666 1.00 0.00 C ATOM 1217 C LEU A 105 -1.648 3.378 3.098 1.00 0.00 C ATOM 1218 O LEU A 105 -1.283 4.502 2.758 1.00 0.00 O ATOM 1219 CB LEU A 105 -0.016 1.464 2.608 1.00 0.00 C ATOM 1220 CG LEU A 105 -0.408 1.754 1.157 1.00 0.00 C ATOM 1221 CD1 LEU A 105 -1.871 1.387 0.900 1.00 0.00 C ATOM 1222 CD2 LEU A 105 -0.109 3.209 0.789 1.00 0.00 C ATOM 0 H LEU A 105 -1.829 0.791 4.357 1.00 0.00 H new ATOM 0 HA LEU A 105 0.183 2.951 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.068 1.535 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.287 0.433 2.838 1.00 0.00 H new ATOM 0 HG LEU A 105 0.200 1.125 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.123 1.603 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.020 0.325 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.514 1.971 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.397 3.389 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.674 3.873 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.957 3.403 0.908 1.00 0.00 H new ATOM 1233 N TRP A 106 -2.893 2.934 3.010 1.00 0.00 N ATOM 1234 CA TRP A 106 -3.953 3.780 2.489 1.00 0.00 C ATOM 1235 C TRP A 106 -4.054 5.018 3.382 1.00 0.00 C ATOM 1236 O TRP A 106 -4.198 6.135 2.888 1.00 0.00 O ATOM 1237 CB TRP A 106 -5.271 3.008 2.387 1.00 0.00 C ATOM 1238 CG TRP A 106 -6.280 3.626 1.418 1.00 0.00 C ATOM 1239 CD1 TRP A 106 -7.501 4.106 1.694 1.00 0.00 C ATOM 1240 CD2 TRP A 106 -6.107 3.812 -0.003 1.00 0.00 C ATOM 1241 NE1 TRP A 106 -8.123 4.586 0.560 1.00 0.00 N ATOM 1242 CE2 TRP A 106 -7.249 4.401 -0.505 1.00 0.00 C ATOM 1243 CE3 TRP A 106 -5.020 3.492 -0.836 1.00 0.00 C ATOM 1244 CZ2 TRP A 106 -7.414 4.722 -1.857 1.00 0.00 C ATOM 1245 CZ3 TRP A 106 -5.201 3.820 -2.184 1.00 0.00 C ATOM 1246 CH2 TRP A 106 -6.345 4.413 -2.706 1.00 0.00 C ATOM 0 H TRP A 106 -3.191 2.000 3.291 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.724 4.102 1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.058 1.986 2.072 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.723 2.948 3.377 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.942 4.116 2.680 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.054 5.001 0.512 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.117 3.030 -0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.318 5.184 -2.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.395 3.597 -2.867 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.409 4.634 -3.761 1.00 0.00 H new ATOM 1256 N PRO A 107 -3.972 4.772 4.718 1.00 0.00 N ATOM 1257 CA PRO A 107 -4.051 5.853 5.685 1.00 0.00 C ATOM 1258 C PRO A 107 -2.750 6.656 5.718 1.00 0.00 C ATOM 1259 O PRO A 107 -2.758 7.844 6.037 1.00 0.00 O ATOM 1260 CB PRO A 107 -4.364 5.175 7.009 1.00 0.00 C ATOM 1261 CG PRO A 107 -3.990 3.713 6.826 1.00 0.00 C ATOM 1262 CD PRO A 107 -3.800 3.461 5.339 1.00 0.00 C ATOM 0 HA PRO A 107 -4.820 6.584 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.795 5.625 7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.419 5.280 7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.075 3.482 7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.771 3.067 7.226 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.813 3.050 5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.530 2.745 4.962 1.00 0.00 H new ATOM 1267 N LEU A 108 -1.663 5.976 5.383 1.00 0.00 N ATOM 1268 CA LEU A 108 -0.357 6.612 5.372 1.00 0.00 C ATOM 1269 C LEU A 108 -0.380 7.796 4.403 1.00 0.00 C ATOM 1270 O LEU A 108 0.157 8.861 4.706 1.00 0.00 O ATOM 1271 CB LEU A 108 0.735 5.586 5.061 1.00 0.00 C ATOM 1272 CG LEU A 108 1.845 5.452 6.106 1.00 0.00 C ATOM 1273 CD1 LEU A 108 1.643 4.202 6.964 1.00 0.00 C ATOM 1274 CD2 LEU A 108 3.225 5.476 5.445 1.00 0.00 C ATOM 0 H LEU A 108 -1.660 4.991 5.117 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.118 7.010 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.264 4.611 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.191 5.848 4.106 1.00 0.00 H new ATOM 0 HG LEU A 108 1.792 6.312 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.446 4.131 7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.684 4.265 7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.655 3.318 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.996 5.379 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.306 4.648 4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.357 6.418 4.913 1.00 0.00 H new ATOM 1285 N LEU A 109 -1.006 7.571 3.257 1.00 0.00 N ATOM 1286 CA LEU A 109 -1.107 8.606 2.243 1.00 0.00 C ATOM 1287 C LEU A 109 -2.084 9.685 2.716 1.00 0.00 C ATOM 1288 O LEU A 109 -1.902 10.865 2.421 1.00 0.00 O ATOM 1289 CB LEU A 109 -1.474 7.996 0.889 1.00 0.00 C ATOM 1290 CG LEU A 109 -0.726 6.717 0.505 1.00 0.00 C ATOM 1291 CD1 LEU A 109 -1.448 5.979 -0.623 1.00 0.00 C ATOM 1292 CD2 LEU A 109 0.732 7.019 0.153 1.00 0.00 C ATOM 0 H LEU A 109 -1.449 6.686 3.008 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.142 9.091 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.543 7.783 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.296 8.743 0.116 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.716 6.053 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.896 5.074 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.453 5.712 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.510 6.624 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.241 6.093 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.767 7.710 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.228 7.469 1.013 1.00 0.00 H new ATOM 1303 N LEU A 110 -3.099 9.241 3.443 1.00 0.00 N ATOM 1304 CA LEU A 110 -4.105 10.153 3.959 1.00 0.00 C ATOM 1305 C LEU A 110 -3.417 11.271 4.746 1.00 0.00 C ATOM 1306 O LEU A 110 -3.779 12.440 4.617 1.00 0.00 O ATOM 1307 CB LEU A 110 -5.156 9.390 4.767 1.00 0.00 C ATOM 1308 CG LEU A 110 -6.330 8.819 3.969 1.00 0.00 C ATOM 1309 CD1 LEU A 110 -5.968 8.672 2.490 1.00 0.00 C ATOM 1310 CD2 LEU A 110 -6.814 7.499 4.574 1.00 0.00 C ATOM 0 H LEU A 110 -3.246 8.262 3.687 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.647 10.625 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.661 8.569 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.553 10.057 5.532 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.159 9.524 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.820 8.264 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.709 9.648 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.117 7.999 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.649 7.115 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.000 6.774 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.138 7.667 5.601 1.00 0.00 H new ATOM 1321 N SER A 111 -2.437 10.873 5.544 1.00 0.00 N ATOM 1322 CA SER A 111 -1.696 11.827 6.351 1.00 0.00 C ATOM 1323 C SER A 111 -0.656 12.546 5.490 1.00 0.00 C ATOM 1324 O SER A 111 -0.361 13.718 5.717 1.00 0.00 O ATOM 1325 CB SER A 111 -1.017 11.135 7.535 1.00 0.00 C ATOM 1326 OG SER A 111 -0.714 12.049 8.586 1.00 0.00 O ATOM 0 H SER A 111 -2.139 9.903 5.649 1.00 0.00 H new ATOM 0 HA SER A 111 -2.400 12.560 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.667 10.347 7.916 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.099 10.655 7.196 1.00 0.00 H new ATOM 0 HG SER A 111 -0.283 11.568 9.323 1.00 0.00 H new ATOM 1331 N ALA A 112 -0.131 11.814 4.518 1.00 0.00 N ATOM 1332 CA ALA A 112 0.868 12.368 3.620 1.00 0.00 C ATOM 1333 C ALA A 112 0.255 13.529 2.835 1.00 0.00 C ATOM 1334 O ALA A 112 0.859 14.595 2.723 1.00 0.00 O ATOM 1335 CB ALA A 112 1.403 11.264 2.708 1.00 0.00 C ATOM 0 H ALA A 112 -0.379 10.842 4.333 1.00 0.00 H new ATOM 0 HA ALA A 112 1.714 12.763 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.152 11.680 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.855 10.479 3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.583 10.845 2.124 1.00 0.00 H new ATOM 1341 N GLN A 113 -0.937 13.283 2.312 1.00 0.00 N ATOM 1342 CA GLN A 113 -1.639 14.295 1.540 1.00 0.00 C ATOM 1343 C GLN A 113 -1.941 15.513 2.413 1.00 0.00 C ATOM 1344 O GLN A 113 -2.323 16.567 1.905 1.00 0.00 O ATOM 1345 CB GLN A 113 -2.921 13.726 0.928 1.00 0.00 C ATOM 1346 CG GLN A 113 -3.865 13.209 2.015 1.00 0.00 C ATOM 1347 CD GLN A 113 -5.215 12.803 1.421 1.00 0.00 C ATOM 1348 OE1 GLN A 113 -6.247 13.392 1.699 1.00 0.00 O ATOM 1349 NE2 GLN A 113 -5.151 11.768 0.590 1.00 0.00 N ATOM 0 H GLN A 113 -1.435 12.398 2.407 1.00 0.00 H new ATOM 0 HA GLN A 113 -0.994 14.612 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -3.422 14.497 0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.672 12.916 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -3.413 12.354 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -4.013 13.981 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -4.254 11.321 0.401 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -5.999 11.421 0.141 1.00 0.00 H new ATOM 1356 N GLU A 114 -1.760 15.330 3.713 1.00 0.00 N ATOM 1357 CA GLU A 114 -2.010 16.402 4.662 1.00 0.00 C ATOM 1358 C GLU A 114 -0.723 17.185 4.928 1.00 0.00 C ATOM 1359 O GLU A 114 -0.756 18.249 5.543 1.00 0.00 O ATOM 1360 CB GLU A 114 -2.599 15.855 5.964 1.00 0.00 C ATOM 1361 CG GLU A 114 -3.977 15.236 5.724 1.00 0.00 C ATOM 1362 CD GLU A 114 -5.052 15.957 6.541 1.00 0.00 C ATOM 1363 OE1 GLU A 114 -5.258 17.160 6.270 1.00 0.00 O ATOM 1364 OE2 GLU A 114 -5.642 15.289 7.417 1.00 0.00 O ATOM 0 H GLU A 114 -1.443 14.455 4.131 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.743 17.082 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.928 15.106 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.680 16.658 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.224 15.290 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.957 14.180 5.994 1.00 0.00 H new ATOM 1369 N ASN A 115 0.381 16.627 4.451 1.00 0.00 N ATOM 1370 CA ASN A 115 1.676 17.259 4.632 1.00 0.00 C ATOM 1371 C ASN A 115 1.914 18.255 3.495 1.00 0.00 C ATOM 1372 O ASN A 115 0.981 18.626 2.785 1.00 0.00 O ATOM 1373 CB ASN A 115 2.804 16.226 4.597 1.00 0.00 C ATOM 1374 CG ASN A 115 3.588 16.227 5.910 1.00 0.00 C ATOM 1375 OD1 ASN A 115 4.713 16.696 5.992 1.00 0.00 O ATOM 1376 ND2 ASN A 115 2.937 15.676 6.930 1.00 0.00 N ATOM 0 H ASN A 115 0.404 15.745 3.940 1.00 0.00 H new ATOM 0 HA ASN A 115 1.675 17.759 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.389 15.234 4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.476 16.444 3.767 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.377 15.627 7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.998 15.302 6.793 1.00 0.00 H new ATOM 1382 N ILE A 116 3.168 18.662 3.360 1.00 0.00 N ATOM 1383 CA ILE A 116 3.540 19.609 2.322 1.00 0.00 C ATOM 1384 C ILE A 116 4.433 18.909 1.295 1.00 0.00 C ATOM 1385 O ILE A 116 4.259 19.086 0.090 1.00 0.00 O ATOM 1386 CB ILE A 116 4.172 20.858 2.937 1.00 0.00 C ATOM 1387 CG1 ILE A 116 3.940 22.084 2.052 1.00 0.00 C ATOM 1388 CG2 ILE A 116 5.658 20.634 3.226 1.00 0.00 C ATOM 1389 CD1 ILE A 116 5.016 22.193 0.971 1.00 0.00 C ATOM 0 H ILE A 116 3.939 18.353 3.952 1.00 0.00 H new ATOM 0 HA ILE A 116 2.655 19.958 1.790 1.00 0.00 H new ATOM 0 HB ILE A 116 3.683 21.053 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.957 22.019 1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.943 22.985 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.084 21.537 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.772 19.805 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.178 20.400 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.827 23.073 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.996 22.282 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.994 21.301 0.344 1.00 0.00 H new ATOM 1400 N ALA A 117 5.373 18.128 1.811 1.00 0.00 N ATOM 1401 CA ALA A 117 6.294 17.401 0.955 1.00 0.00 C ATOM 1402 C ALA A 117 5.666 16.063 0.556 1.00 0.00 C ATOM 1403 O ALA A 117 6.290 15.262 -0.137 1.00 0.00 O ATOM 1404 CB ALA A 117 7.631 17.225 1.676 1.00 0.00 C ATOM 0 H ALA A 117 5.515 17.984 2.811 1.00 0.00 H new ATOM 0 HA ALA A 117 6.488 17.960 0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.322 16.679 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.050 18.204 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.476 16.666 2.599 1.00 0.00 H new ATOM 1410 N GLY A 118 4.439 15.863 1.013 1.00 0.00 N ATOM 1411 CA GLY A 118 3.719 14.637 0.714 1.00 0.00 C ATOM 1412 C GLY A 118 4.339 13.445 1.447 1.00 0.00 C ATOM 1413 O GLY A 118 4.428 12.349 0.895 1.00 0.00 O ATOM 0 H GLY A 118 3.925 16.530 1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.674 14.744 1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.733 14.455 -0.361 1.00 0.00 H new ATOM 1417 N ILE A 119 4.752 13.700 2.680 1.00 0.00 N ATOM 1418 CA ILE A 119 5.360 12.661 3.495 1.00 0.00 C ATOM 1419 C ILE A 119 4.473 12.385 4.709 1.00 0.00 C ATOM 1420 O ILE A 119 3.992 13.315 5.355 1.00 0.00 O ATOM 1421 CB ILE A 119 6.798 13.039 3.858 1.00 0.00 C ATOM 1422 CG1 ILE A 119 7.785 12.504 2.817 1.00 0.00 C ATOM 1423 CG2 ILE A 119 7.148 12.572 5.272 1.00 0.00 C ATOM 1424 CD1 ILE A 119 7.458 13.044 1.423 1.00 0.00 C ATOM 0 H ILE A 119 4.678 14.610 3.134 1.00 0.00 H new ATOM 0 HA ILE A 119 5.430 11.729 2.934 1.00 0.00 H new ATOM 0 HB ILE A 119 6.878 14.126 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.800 12.790 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.752 11.415 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.175 12.853 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.473 13.041 5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.046 11.489 5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.174 12.649 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.451 12.736 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.515 14.132 1.432 1.00 0.00 H new ATOM 1435 N PRO A 120 4.276 11.069 4.991 1.00 0.00 N ATOM 1436 CA PRO A 120 3.454 10.659 6.117 1.00 0.00 C ATOM 1437 C PRO A 120 4.193 10.868 7.440 1.00 0.00 C ATOM 1438 O PRO A 120 5.415 10.737 7.501 1.00 0.00 O ATOM 1439 CB PRO A 120 3.118 9.201 5.848 1.00 0.00 C ATOM 1440 CG PRO A 120 4.139 8.719 4.830 1.00 0.00 C ATOM 1441 CD PRO A 120 4.830 9.941 4.248 1.00 0.00 C ATOM 0 HA PRO A 120 2.545 11.253 6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.172 8.612 6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 120 2.104 9.099 5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.866 8.058 5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.651 8.145 4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.911 9.880 4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.634 10.036 3.180 1.00 0.00 H new ATOM 1446 N SER A 121 3.421 11.189 8.467 1.00 0.00 N ATOM 1447 CA SER A 121 3.987 11.418 9.786 1.00 0.00 C ATOM 1448 C SER A 121 4.717 10.162 10.266 1.00 0.00 C ATOM 1449 O SER A 121 5.511 10.221 11.205 1.00 0.00 O ATOM 1450 CB SER A 121 2.902 11.817 10.789 1.00 0.00 C ATOM 1451 OG SER A 121 2.147 10.695 11.235 1.00 0.00 O ATOM 0 H SER A 121 2.408 11.296 8.413 1.00 0.00 H new ATOM 0 HA SER A 121 4.699 12.240 9.715 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.364 12.307 11.646 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.233 12.544 10.329 1.00 0.00 H new ATOM 0 HG SER A 121 1.467 10.992 11.875 1.00 0.00 H new ATOM 1456 N ALA A 122 4.423 9.054 9.602 1.00 0.00 N ATOM 1457 CA ALA A 122 5.041 7.786 9.950 1.00 0.00 C ATOM 1458 C ALA A 122 6.561 7.910 9.811 1.00 0.00 C ATOM 1459 O ALA A 122 7.309 7.217 10.499 1.00 0.00 O ATOM 1460 CB ALA A 122 4.464 6.677 9.068 1.00 0.00 C ATOM 0 H ALA A 122 3.765 9.008 8.824 1.00 0.00 H new ATOM 0 HA ALA A 122 4.824 7.525 10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.928 5.726 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 122 3.387 6.611 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.665 6.903 8.021 1.00 0.00 H new ATOM 1466 N PHE A 123 6.971 8.797 8.916 1.00 0.00 N ATOM 1467 CA PHE A 123 8.387 9.020 8.680 1.00 0.00 C ATOM 1468 C PHE A 123 8.867 10.292 9.382 1.00 0.00 C ATOM 1469 O PHE A 123 9.971 10.329 9.921 1.00 0.00 O ATOM 1470 CB PHE A 123 8.566 9.187 7.170 1.00 0.00 C ATOM 1471 CG PHE A 123 7.843 8.128 6.336 1.00 0.00 C ATOM 1472 CD1 PHE A 123 7.501 6.937 6.898 1.00 0.00 C ATOM 1473 CD2 PHE A 123 7.543 8.375 5.033 1.00 0.00 C ATOM 1474 CE1 PHE A 123 6.830 5.953 6.124 1.00 0.00 C ATOM 1475 CE2 PHE A 123 6.872 7.391 4.259 1.00 0.00 C ATOM 1476 CZ PHE A 123 6.530 6.200 4.822 1.00 0.00 C ATOM 0 H PHE A 123 6.348 9.369 8.346 1.00 0.00 H new ATOM 0 HA PHE A 123 8.966 8.183 9.069 1.00 0.00 H new ATOM 0 HB2 PHE A 123 8.204 10.173 6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 123 9.630 9.155 6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.740 6.740 7.933 1.00 0.00 H new ATOM 0 HD2 PHE A 123 7.815 9.320 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 123 6.558 5.008 6.571 1.00 0.00 H new ATOM 0 HE2 PHE A 123 6.633 7.588 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.020 5.451 4.234 1.00 0.00 H new ATOM 1485 N LEU A 124 8.012 11.305 9.353 1.00 0.00 N ATOM 1486 CA LEU A 124 8.335 12.575 9.980 1.00 0.00 C ATOM 1487 C LEU A 124 8.778 12.329 11.423 1.00 0.00 C ATOM 1488 O LEU A 124 9.944 12.528 11.761 1.00 0.00 O ATOM 1489 CB LEU A 124 7.161 13.548 9.854 1.00 0.00 C ATOM 1490 CG LEU A 124 6.647 13.800 8.435 1.00 0.00 C ATOM 1491 CD1 LEU A 124 5.396 14.681 8.454 1.00 0.00 C ATOM 1492 CD2 LEU A 124 7.749 14.387 7.550 1.00 0.00 C ATOM 0 H LEU A 124 7.096 11.271 8.905 1.00 0.00 H new ATOM 0 HA LEU A 124 9.171 13.051 9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.335 13.169 10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.459 14.503 10.286 1.00 0.00 H new ATOM 0 HG LEU A 124 6.360 12.843 8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 124 5.051 14.845 7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 124 4.612 14.187 9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.633 15.640 8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.358 14.557 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.089 15.333 7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.586 13.690 7.500 1.00 0.00 H new ATOM 1503 N GLU A 125 7.824 11.898 12.236 1.00 0.00 N ATOM 1504 CA GLU A 125 8.101 11.623 13.635 1.00 0.00 C ATOM 1505 C GLU A 125 9.342 10.737 13.766 1.00 0.00 C ATOM 1506 O GLU A 125 10.369 11.173 14.283 1.00 0.00 O ATOM 1507 CB GLU A 125 6.893 10.978 14.317 1.00 0.00 C ATOM 1508 CG GLU A 125 7.060 10.969 15.838 1.00 0.00 C ATOM 1509 CD GLU A 125 6.435 9.715 16.451 1.00 0.00 C ATOM 1510 OE1 GLU A 125 5.288 9.404 16.062 1.00 0.00 O ATOM 1511 OE2 GLU A 125 7.116 9.096 17.296 1.00 0.00 O ATOM 0 H GLU A 125 6.858 11.733 11.952 1.00 0.00 H new ATOM 0 HA GLU A 125 8.299 12.569 14.139 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.987 11.523 14.051 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.769 9.957 13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.119 11.013 16.091 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.594 11.857 16.264 1.00 0.00 H new