USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 689 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-3.4) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.09) USER MOD Single : A 23 GLN : amide:sc=-0.00744 X(o=-0.0074,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.051) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 146:sc= -0.612 (180deg=-1.87!) USER MOD Single : A 48 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-4.8!) USER MOD Single : A 49 TYR OH : rot 150:sc= -0.0948 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.4! C(o=-1.4!,f=-3.6!) USER MOD Single : A 52 ASN : amide:sc= -0.075 K(o=-0.075,f=-1.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -20:sc= 0.723 USER MOD Single : A 61 GLN : amide:sc= -0.669 K(o=-0.67,f=-4.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 5:sc= -0.356 USER MOD Single : A 76 HIS :FLIP no HD1:sc= 0.0488 F(o=-0.89,f=0.049) USER MOD Single : A 77 MET CE :methyl 173:sc= -5.79! (180deg=-5.94!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.726 12.634 -10.069 1.00 0.00 N ATOM 67 CA ASP A 8 -1.058 11.548 -9.362 1.00 0.00 C ATOM 68 C ASP A 8 -1.945 10.998 -8.249 1.00 0.00 C ATOM 69 O ASP A 8 -2.939 11.617 -7.870 1.00 0.00 O ATOM 70 CB ASP A 8 0.271 12.030 -8.780 1.00 0.00 C ATOM 71 CG ASP A 8 0.990 12.996 -9.701 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.337 12.591 -10.831 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.208 14.156 -9.293 1.00 0.00 O ATOM 0 HA ASP A 8 -0.863 10.748 -10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.090 12.514 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.913 11.170 -8.587 1.00 0.00 H new ATOM 78 N VAL A 9 -1.579 9.830 -7.730 1.00 0.00 N ATOM 79 CA VAL A 9 -2.341 9.196 -6.661 1.00 0.00 C ATOM 80 C VAL A 9 -1.625 9.329 -5.322 1.00 0.00 C ATOM 81 O VAL A 9 -0.634 8.645 -5.066 1.00 0.00 O ATOM 82 CB VAL A 9 -2.585 7.704 -6.954 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.226 7.022 -5.755 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.447 7.539 -8.197 1.00 0.00 C ATOM 0 H VAL A 9 -0.759 9.304 -8.033 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.301 9.710 -6.609 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.623 7.226 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.391 5.968 -5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.567 7.109 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.180 7.499 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.609 6.478 -8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.407 8.031 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.943 7.990 -9.052 1.00 0.00 H new ATOM 94 N ARG A 10 -2.133 10.214 -4.471 1.00 0.00 N ATOM 95 CA ARG A 10 -1.542 10.438 -3.157 1.00 0.00 C ATOM 96 C ARG A 10 -1.681 9.198 -2.280 1.00 0.00 C ATOM 97 O ARG A 10 -2.781 8.849 -1.850 1.00 0.00 O ATOM 98 CB ARG A 10 -2.203 11.637 -2.474 1.00 0.00 C ATOM 99 CG ARG A 10 -1.338 12.280 -1.403 1.00 0.00 C ATOM 100 CD ARG A 10 -2.172 13.105 -0.434 1.00 0.00 C ATOM 101 NE ARG A 10 -2.313 14.490 -0.875 1.00 0.00 N ATOM 102 CZ ARG A 10 -3.277 15.301 -0.454 1.00 0.00 C ATOM 103 NH1 ARG A 10 -4.180 14.867 0.415 1.00 0.00 N ATOM 104 NH2 ARG A 10 -3.339 16.549 -0.901 1.00 0.00 N ATOM 0 H ARG A 10 -2.953 10.788 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.481 10.647 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.448 12.385 -3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.143 11.316 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.801 11.506 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.588 12.917 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.159 12.655 -0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.708 13.084 0.552 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.634 14.855 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.135 13.909 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.919 15.492 0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.646 16.887 -1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.080 17.171 -0.577 1.00 0.00 H new ATOM 118 N VAL A 11 -0.559 8.535 -2.018 1.00 0.00 N ATOM 119 CA VAL A 11 -0.556 7.334 -1.191 1.00 0.00 C ATOM 120 C VAL A 11 0.191 7.569 0.117 1.00 0.00 C ATOM 121 O VAL A 11 1.351 7.984 0.117 1.00 0.00 O ATOM 122 CB VAL A 11 0.088 6.146 -1.930 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.150 4.924 -1.026 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.679 5.835 -3.207 1.00 0.00 C ATOM 0 H VAL A 11 0.360 8.809 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.597 7.097 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 11 1.108 6.419 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.608 4.095 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.745 5.155 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.859 4.645 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.211 4.993 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.710 5.582 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.667 6.707 -3.860 1.00 0.00 H new ATOM 134 N LYS A 12 -0.480 7.301 1.232 1.00 0.00 N ATOM 135 CA LYS A 12 0.120 7.481 2.548 1.00 0.00 C ATOM 136 C LYS A 12 0.481 6.136 3.170 1.00 0.00 C ATOM 137 O LYS A 12 -0.324 5.205 3.171 1.00 0.00 O ATOM 138 CB LYS A 12 -0.840 8.239 3.469 1.00 0.00 C ATOM 139 CG LYS A 12 -0.173 8.800 4.713 1.00 0.00 C ATOM 140 CD LYS A 12 -1.188 9.423 5.657 1.00 0.00 C ATOM 141 CE LYS A 12 -1.532 10.846 5.244 1.00 0.00 C ATOM 142 NZ LYS A 12 -2.896 11.240 5.694 1.00 0.00 N ATOM 0 H LYS A 12 -1.440 6.958 1.250 1.00 0.00 H new ATOM 0 HA LYS A 12 1.034 8.063 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.296 9.057 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.646 7.570 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.365 8.004 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.565 9.549 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.094 8.817 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.790 9.423 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.798 11.534 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.468 10.935 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.092 12.216 5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.599 10.600 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.950 11.180 6.731 1.00 0.00 H new ATOM 156 N PHE A 13 1.697 6.042 3.700 1.00 0.00 N ATOM 157 CA PHE A 13 2.165 4.811 4.325 1.00 0.00 C ATOM 158 C PHE A 13 2.153 4.935 5.846 1.00 0.00 C ATOM 159 O PHE A 13 2.259 6.033 6.390 1.00 0.00 O ATOM 160 CB PHE A 13 3.576 4.472 3.841 1.00 0.00 C ATOM 161 CG PHE A 13 3.619 3.963 2.428 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.795 2.923 2.027 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.483 4.523 1.502 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.833 2.452 0.729 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.526 4.057 0.201 1.00 0.00 C ATOM 166 CZ PHE A 13 3.699 3.021 -0.186 1.00 0.00 C ATOM 0 H PHE A 13 2.375 6.804 3.709 1.00 0.00 H new ATOM 0 HA PHE A 13 1.487 4.007 4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.201 5.362 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.008 3.721 4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.116 2.476 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.131 5.334 1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.187 1.640 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.205 4.502 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.729 2.656 -1.202 1.00 0.00 H new ATOM 176 N GLU A 14 2.023 3.799 6.525 1.00 0.00 N ATOM 177 CA GLU A 14 1.995 3.781 7.983 1.00 0.00 C ATOM 178 C GLU A 14 2.707 2.545 8.525 1.00 0.00 C ATOM 179 O GLU A 14 2.447 1.423 8.088 1.00 0.00 O ATOM 180 CB GLU A 14 0.552 3.815 8.489 1.00 0.00 C ATOM 181 CG GLU A 14 -0.059 5.206 8.494 1.00 0.00 C ATOM 182 CD GLU A 14 -1.574 5.178 8.434 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.130 4.166 7.958 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.204 6.168 8.861 1.00 0.00 O ATOM 0 H GLU A 14 1.936 2.881 6.089 1.00 0.00 H new ATOM 0 HA GLU A 14 2.518 4.667 8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.058 3.162 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.521 3.410 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.256 5.734 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.324 5.770 7.644 1.00 0.00 H new ATOM 191 N HIS A 15 3.607 2.758 9.480 1.00 0.00 N ATOM 192 CA HIS A 15 4.357 1.662 10.082 1.00 0.00 C ATOM 193 C HIS A 15 4.819 2.028 11.489 1.00 0.00 C ATOM 194 O HIS A 15 5.752 2.813 11.662 1.00 0.00 O ATOM 195 CB HIS A 15 5.563 1.303 9.214 1.00 0.00 C ATOM 196 CG HIS A 15 6.073 -0.087 9.441 1.00 0.00 C ATOM 197 ND1 HIS A 15 6.393 -0.576 10.689 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.315 -1.094 8.570 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.812 -1.824 10.576 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.774 -2.162 9.300 1.00 0.00 N ATOM 0 H HIS A 15 3.834 3.680 9.853 1.00 0.00 H new ATOM 0 HA HIS A 15 3.697 0.797 10.149 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.291 1.414 8.164 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.366 2.013 9.412 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.318 -0.056 11.563 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.173 -1.063 7.500 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.131 -2.459 11.389 1.00 0.00 H new ATOM 209 N ARG A 16 4.160 1.456 12.491 1.00 0.00 N ATOM 210 CA ARG A 16 4.502 1.725 13.883 1.00 0.00 C ATOM 211 C ARG A 16 4.690 3.221 14.118 1.00 0.00 C ATOM 212 O ARG A 16 5.615 3.639 14.813 1.00 0.00 O ATOM 213 CB ARG A 16 5.776 0.972 14.271 1.00 0.00 C ATOM 214 CG ARG A 16 5.607 -0.538 14.300 1.00 0.00 C ATOM 215 CD ARG A 16 6.852 -1.228 14.834 1.00 0.00 C ATOM 216 NE ARG A 16 7.129 -0.860 16.221 1.00 0.00 N ATOM 217 CZ ARG A 16 7.847 -1.610 17.050 1.00 0.00 C ATOM 218 NH1 ARG A 16 8.358 -2.761 16.635 1.00 0.00 N ATOM 219 NH2 ARG A 16 8.055 -1.207 18.297 1.00 0.00 N ATOM 0 H ARG A 16 3.386 0.803 12.365 1.00 0.00 H new ATOM 0 HA ARG A 16 3.678 1.378 14.507 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.567 1.227 13.566 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.103 1.311 15.254 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.751 -0.797 14.923 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.392 -0.900 13.295 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.726 -2.308 14.764 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.707 -0.966 14.211 1.00 0.00 H new ATOM 0 HE ARG A 16 6.751 0.020 16.571 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.200 -3.073 15.677 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.909 -3.334 17.274 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.664 -0.322 18.619 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.606 -1.783 18.934 1.00 0.00 H new ATOM 233 N GLY A 17 3.805 4.022 13.532 1.00 0.00 N ATOM 234 CA GLY A 17 3.892 5.462 13.689 1.00 0.00 C ATOM 235 C GLY A 17 4.534 6.138 12.494 1.00 0.00 C ATOM 236 O GLY A 17 4.195 7.272 12.158 1.00 0.00 O ATOM 0 H GLY A 17 3.030 3.700 12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.892 5.869 13.839 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.468 5.692 14.585 1.00 0.00 H new ATOM 240 N GLU A 18 5.467 5.441 11.852 1.00 0.00 N ATOM 241 CA GLU A 18 6.160 5.983 10.690 1.00 0.00 C ATOM 242 C GLU A 18 5.180 6.263 9.554 1.00 0.00 C ATOM 243 O GLU A 18 4.482 5.364 9.084 1.00 0.00 O ATOM 244 CB GLU A 18 7.243 5.012 10.216 1.00 0.00 C ATOM 245 CG GLU A 18 8.464 4.973 11.120 1.00 0.00 C ATOM 246 CD GLU A 18 8.098 4.927 12.591 1.00 0.00 C ATOM 247 OE1 GLU A 18 7.800 3.823 13.094 1.00 0.00 O ATOM 248 OE2 GLU A 18 8.111 5.994 13.239 1.00 0.00 O ATOM 0 H GLU A 18 5.760 4.501 12.117 1.00 0.00 H new ATOM 0 HA GLU A 18 6.628 6.923 10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.818 4.011 10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.555 5.292 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.068 4.100 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.081 5.851 10.930 1.00 0.00 H new ATOM 255 N LYS A 19 5.133 7.517 9.116 1.00 0.00 N ATOM 256 CA LYS A 19 4.241 7.918 8.035 1.00 0.00 C ATOM 257 C LYS A 19 5.025 8.538 6.884 1.00 0.00 C ATOM 258 O LYS A 19 5.962 9.307 7.101 1.00 0.00 O ATOM 259 CB LYS A 19 3.198 8.912 8.550 1.00 0.00 C ATOM 260 CG LYS A 19 2.402 8.399 9.737 1.00 0.00 C ATOM 261 CD LYS A 19 1.877 9.540 10.592 1.00 0.00 C ATOM 262 CE LYS A 19 1.336 9.038 11.922 1.00 0.00 C ATOM 263 NZ LYS A 19 2.390 9.005 12.973 1.00 0.00 N ATOM 0 H LYS A 19 5.703 8.274 9.494 1.00 0.00 H new ATOM 0 HA LYS A 19 3.734 7.026 7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.699 9.838 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.510 9.156 7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.567 7.795 9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.031 7.748 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.676 10.259 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.089 10.067 10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.519 9.681 12.248 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.922 8.038 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.083 8.390 13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.273 8.635 12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.551 9.967 13.333 1.00 0.00 H new ATOM 277 N ARG A 20 4.636 8.200 5.659 1.00 0.00 N ATOM 278 CA ARG A 20 5.303 8.724 4.473 1.00 0.00 C ATOM 279 C ARG A 20 4.359 8.728 3.275 1.00 0.00 C ATOM 280 O ARG A 20 3.856 7.681 2.865 1.00 0.00 O ATOM 281 CB ARG A 20 6.548 7.894 4.153 1.00 0.00 C ATOM 282 CG ARG A 20 7.811 8.407 4.823 1.00 0.00 C ATOM 283 CD ARG A 20 8.254 9.737 4.234 1.00 0.00 C ATOM 284 NE ARG A 20 9.420 10.281 4.925 1.00 0.00 N ATOM 285 CZ ARG A 20 9.729 11.573 4.938 1.00 0.00 C ATOM 286 NH1 ARG A 20 8.963 12.449 4.302 1.00 0.00 N ATOM 287 NH2 ARG A 20 10.807 11.992 5.590 1.00 0.00 N ATOM 0 H ARG A 20 3.862 7.565 5.462 1.00 0.00 H new ATOM 0 HA ARG A 20 5.603 9.751 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.376 6.863 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.699 7.882 3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.636 8.522 5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.609 7.673 4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.488 9.606 3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.432 10.451 4.292 1.00 0.00 H new ATOM 0 HE ARG A 20 10.030 9.634 5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.133 12.132 3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.203 13.440 4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.398 11.322 6.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.044 12.984 5.600 1.00 0.00 H new ATOM 301 N ILE A 21 4.122 9.911 2.718 1.00 0.00 N ATOM 302 CA ILE A 21 3.239 10.050 1.567 1.00 0.00 C ATOM 303 C ILE A 21 4.035 10.117 0.268 1.00 0.00 C ATOM 304 O ILE A 21 5.138 10.665 0.231 1.00 0.00 O ATOM 305 CB ILE A 21 2.358 11.308 1.682 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.399 11.178 2.867 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.586 11.534 0.390 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.723 12.479 3.242 1.00 0.00 C ATOM 0 H ILE A 21 4.529 10.787 3.045 1.00 0.00 H new ATOM 0 HA ILE A 21 2.599 9.168 1.552 1.00 0.00 H new ATOM 0 HB ILE A 21 3.002 12.171 1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.636 10.437 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.949 10.802 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.968 12.427 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.287 11.666 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.949 10.672 0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.058 12.312 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.478 13.217 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.145 12.846 2.394 1.00 0.00 H new ATOM 320 N LEU A 22 3.469 9.559 -0.796 1.00 0.00 N ATOM 321 CA LEU A 22 4.125 9.557 -2.099 1.00 0.00 C ATOM 322 C LEU A 22 3.164 10.013 -3.193 1.00 0.00 C ATOM 323 O LEU A 22 2.002 10.314 -2.924 1.00 0.00 O ATOM 324 CB LEU A 22 4.658 8.160 -2.422 1.00 0.00 C ATOM 325 CG LEU A 22 5.808 7.662 -1.546 1.00 0.00 C ATOM 326 CD1 LEU A 22 6.964 8.650 -1.569 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.331 7.430 -0.120 1.00 0.00 C ATOM 0 H LEU A 22 2.557 9.102 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 22 4.960 10.257 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.834 7.451 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.988 8.150 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 22 6.161 6.713 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.773 8.278 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.323 8.766 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.625 9.615 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.163 7.076 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.951 8.364 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.537 6.683 -0.119 1.00 0.00 H new ATOM 339 N GLN A 23 3.659 10.058 -4.426 1.00 0.00 N ATOM 340 CA GLN A 23 2.843 10.476 -5.560 1.00 0.00 C ATOM 341 C GLN A 23 3.116 9.600 -6.779 1.00 0.00 C ATOM 342 O GLN A 23 4.198 9.655 -7.365 1.00 0.00 O ATOM 343 CB GLN A 23 3.115 11.942 -5.900 1.00 0.00 C ATOM 344 CG GLN A 23 2.514 12.919 -4.902 1.00 0.00 C ATOM 345 CD GLN A 23 2.603 14.359 -5.369 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.209 15.202 -4.707 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.999 14.648 -6.516 1.00 0.00 N ATOM 0 H GLN A 23 4.619 9.811 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 23 1.795 10.364 -5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.192 12.101 -5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.716 12.157 -6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.469 12.661 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.028 12.819 -3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.508 13.918 -7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.026 15.600 -6.881 1.00 0.00 H new ATOM 356 N PHE A 24 2.130 8.793 -7.155 1.00 0.00 N ATOM 357 CA PHE A 24 2.265 7.904 -8.303 1.00 0.00 C ATOM 358 C PHE A 24 1.335 8.333 -9.435 1.00 0.00 C ATOM 359 O PHE A 24 0.112 8.235 -9.338 1.00 0.00 O ATOM 360 CB PHE A 24 1.959 6.461 -7.896 1.00 0.00 C ATOM 361 CG PHE A 24 2.823 5.959 -6.775 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.502 6.240 -5.457 1.00 0.00 C ATOM 363 CD2 PHE A 24 3.955 5.205 -7.039 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.296 5.780 -4.423 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.752 4.742 -6.009 1.00 0.00 C ATOM 366 CZ PHE A 24 4.422 5.028 -4.699 1.00 0.00 C ATOM 0 H PHE A 24 1.228 8.736 -6.681 1.00 0.00 H new ATOM 0 HA PHE A 24 3.294 7.964 -8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.913 6.390 -7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.088 5.812 -8.762 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.622 6.825 -5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.218 4.976 -8.061 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.036 6.008 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.633 4.157 -6.229 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.042 4.665 -3.893 1.00 0.00 H new ATOM 376 N PRO A 25 1.929 8.822 -10.534 1.00 0.00 N ATOM 377 CA PRO A 25 1.174 9.276 -11.706 1.00 0.00 C ATOM 378 C PRO A 25 0.516 8.122 -12.454 1.00 0.00 C ATOM 379 O PRO A 25 1.198 7.243 -12.982 1.00 0.00 O ATOM 380 CB PRO A 25 2.241 9.941 -12.579 1.00 0.00 C ATOM 381 CG PRO A 25 3.518 9.286 -12.181 1.00 0.00 C ATOM 382 CD PRO A 25 3.383 8.968 -10.718 1.00 0.00 C ATOM 0 HA PRO A 25 0.354 9.940 -11.431 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.034 9.793 -13.639 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.278 11.017 -12.408 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.690 8.380 -12.763 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.367 9.946 -12.360 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.915 8.054 -10.455 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.789 9.764 -10.094 1.00 0.00 H new ATOM 390 N ARG A 26 -0.812 8.131 -12.497 1.00 0.00 N ATOM 391 CA ARG A 26 -1.561 7.084 -13.181 1.00 0.00 C ATOM 392 C ARG A 26 -1.129 6.970 -14.640 1.00 0.00 C ATOM 393 O ARG A 26 -0.757 7.953 -15.281 1.00 0.00 O ATOM 394 CB ARG A 26 -3.063 7.368 -13.103 1.00 0.00 C ATOM 395 CG ARG A 26 -3.684 7.001 -11.765 1.00 0.00 C ATOM 396 CD ARG A 26 -5.179 7.276 -11.751 1.00 0.00 C ATOM 397 NE ARG A 26 -5.475 8.702 -11.863 1.00 0.00 N ATOM 398 CZ ARG A 26 -5.575 9.343 -13.022 1.00 0.00 C ATOM 399 NH1 ARG A 26 -5.406 8.688 -14.163 1.00 0.00 N ATOM 400 NH2 ARG A 26 -5.847 10.641 -13.042 1.00 0.00 N ATOM 0 H ARG A 26 -1.391 8.852 -12.066 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.350 6.137 -12.683 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.234 8.427 -13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.570 6.815 -13.893 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.505 5.946 -11.557 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.201 7.569 -10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.653 6.742 -12.574 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.610 6.888 -10.828 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.612 9.235 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.199 7.689 -14.152 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.483 9.183 -15.051 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.980 11.148 -12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.924 11.132 -13.933 1.00 0.00 H new ATOM 414 N PRO A 27 -1.178 5.742 -15.178 1.00 0.00 N ATOM 415 CA PRO A 27 -1.619 4.565 -14.424 1.00 0.00 C ATOM 416 C PRO A 27 -0.620 4.159 -13.346 1.00 0.00 C ATOM 417 O PRO A 27 0.572 4.006 -13.616 1.00 0.00 O ATOM 418 CB PRO A 27 -1.721 3.476 -15.496 1.00 0.00 C ATOM 419 CG PRO A 27 -0.776 3.906 -16.564 1.00 0.00 C ATOM 420 CD PRO A 27 -0.807 5.409 -16.563 1.00 0.00 C ATOM 0 HA PRO A 27 -2.552 4.748 -13.892 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.448 2.500 -15.096 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.738 3.391 -15.878 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.230 3.536 -16.367 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.077 3.510 -17.534 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.161 5.831 -16.832 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.533 5.796 -17.278 1.00 0.00 H new ATOM 428 N VAL A 28 -1.112 3.985 -12.124 1.00 0.00 N ATOM 429 CA VAL A 28 -0.263 3.595 -11.006 1.00 0.00 C ATOM 430 C VAL A 28 0.057 2.105 -11.051 1.00 0.00 C ATOM 431 O VAL A 28 -0.801 1.285 -11.378 1.00 0.00 O ATOM 432 CB VAL A 28 -0.925 3.926 -9.655 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.026 3.508 -8.502 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.257 5.409 -9.574 1.00 0.00 C ATOM 0 H VAL A 28 -2.095 4.108 -11.883 1.00 0.00 H new ATOM 0 HA VAL A 28 0.662 4.165 -11.098 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.856 3.364 -9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.511 3.750 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.155 2.434 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.923 4.040 -8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.724 5.625 -8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.342 5.993 -9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.943 5.673 -10.379 1.00 0.00 H new ATOM 444 N LYS A 29 1.297 1.761 -10.720 1.00 0.00 N ATOM 445 CA LYS A 29 1.731 0.369 -10.721 1.00 0.00 C ATOM 446 C LYS A 29 1.911 -0.145 -9.296 1.00 0.00 C ATOM 447 O LYS A 29 2.466 0.547 -8.441 1.00 0.00 O ATOM 448 CB LYS A 29 3.041 0.223 -11.497 1.00 0.00 C ATOM 449 CG LYS A 29 2.927 0.609 -12.961 1.00 0.00 C ATOM 450 CD LYS A 29 2.269 -0.490 -13.778 1.00 0.00 C ATOM 451 CE LYS A 29 1.536 0.076 -14.985 1.00 0.00 C ATOM 452 NZ LYS A 29 2.477 0.646 -15.988 1.00 0.00 N ATOM 0 H LYS A 29 2.019 2.428 -10.447 1.00 0.00 H new ATOM 0 HA LYS A 29 0.959 -0.227 -11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.804 0.842 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.381 -0.810 -11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.347 1.528 -13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.919 0.817 -13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.026 -1.200 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.568 -1.041 -13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.942 -0.710 -15.450 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.841 0.850 -14.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.939 1.021 -16.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.027 1.413 -15.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.124 -0.098 -16.319 1.00 0.00 H new ATOM 466 N LEU A 30 1.441 -1.363 -9.048 1.00 0.00 N ATOM 467 CA LEU A 30 1.552 -1.971 -7.726 1.00 0.00 C ATOM 468 C LEU A 30 3.008 -2.025 -7.272 1.00 0.00 C ATOM 469 O LEU A 30 3.337 -1.607 -6.163 1.00 0.00 O ATOM 470 CB LEU A 30 0.957 -3.380 -7.740 1.00 0.00 C ATOM 471 CG LEU A 30 1.073 -4.170 -6.436 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.259 -3.506 -5.336 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.621 -5.608 -6.642 1.00 0.00 C ATOM 0 H LEU A 30 0.980 -1.949 -9.744 1.00 0.00 H new ATOM 0 HA LEU A 30 0.994 -1.355 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.098 -3.305 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.443 -3.950 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 30 2.119 -4.179 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.353 -4.082 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.628 -2.494 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.789 -3.466 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.710 -6.155 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.418 -5.619 -6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.246 -6.081 -7.399 1.00 0.00 H new ATOM 485 N GLU A 31 3.874 -2.542 -8.139 1.00 0.00 N ATOM 486 CA GLU A 31 5.294 -2.649 -7.827 1.00 0.00 C ATOM 487 C GLU A 31 5.865 -1.294 -7.420 1.00 0.00 C ATOM 488 O GLU A 31 6.701 -1.205 -6.520 1.00 0.00 O ATOM 489 CB GLU A 31 6.063 -3.199 -9.030 1.00 0.00 C ATOM 490 CG GLU A 31 6.385 -2.148 -10.079 1.00 0.00 C ATOM 491 CD GLU A 31 7.418 -2.623 -11.082 1.00 0.00 C ATOM 492 OE1 GLU A 31 7.024 -3.249 -12.089 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.620 -2.368 -10.861 1.00 0.00 O ATOM 0 H GLU A 31 3.617 -2.893 -9.062 1.00 0.00 H new ATOM 0 HA GLU A 31 5.405 -3.337 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.993 -3.649 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.478 -3.994 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.471 -1.874 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.750 -1.247 -9.586 1.00 0.00 H new ATOM 500 N ASP A 32 5.410 -0.241 -8.090 1.00 0.00 N ATOM 501 CA ASP A 32 5.874 1.110 -7.800 1.00 0.00 C ATOM 502 C ASP A 32 5.616 1.472 -6.340 1.00 0.00 C ATOM 503 O ASP A 32 6.520 1.910 -5.628 1.00 0.00 O ATOM 504 CB ASP A 32 5.183 2.119 -8.718 1.00 0.00 C ATOM 505 CG ASP A 32 5.989 3.391 -8.891 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.829 3.686 -8.015 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.780 4.092 -9.903 1.00 0.00 O ATOM 0 H ASP A 32 4.719 -0.298 -8.839 1.00 0.00 H new ATOM 0 HA ASP A 32 6.948 1.144 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.016 1.663 -9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.203 2.366 -8.309 1.00 0.00 H new ATOM 512 N LEU A 33 4.376 1.286 -5.901 1.00 0.00 N ATOM 513 CA LEU A 33 3.997 1.593 -4.526 1.00 0.00 C ATOM 514 C LEU A 33 4.955 0.937 -3.538 1.00 0.00 C ATOM 515 O LEU A 33 5.433 1.579 -2.602 1.00 0.00 O ATOM 516 CB LEU A 33 2.566 1.125 -4.254 1.00 0.00 C ATOM 517 CG LEU A 33 1.452 2.040 -4.765 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.206 1.232 -5.093 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.135 3.118 -3.738 1.00 0.00 C ATOM 0 H LEU A 33 3.616 0.924 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 33 4.051 2.674 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.435 0.141 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.443 1.003 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 33 1.797 2.525 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.576 1.900 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.441 0.497 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.142 0.719 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.340 3.760 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.811 2.651 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.027 3.716 -3.551 1.00 0.00 H new ATOM 531 N ARG A 34 5.234 -0.344 -3.753 1.00 0.00 N ATOM 532 CA ARG A 34 6.136 -1.087 -2.881 1.00 0.00 C ATOM 533 C ARG A 34 7.557 -0.539 -2.977 1.00 0.00 C ATOM 534 O ARG A 34 8.219 -0.322 -1.962 1.00 0.00 O ATOM 535 CB ARG A 34 6.125 -2.572 -3.247 1.00 0.00 C ATOM 536 CG ARG A 34 4.741 -3.199 -3.207 1.00 0.00 C ATOM 537 CD ARG A 34 4.797 -4.693 -3.483 1.00 0.00 C ATOM 538 NE ARG A 34 5.064 -5.464 -2.271 1.00 0.00 N ATOM 539 CZ ARG A 34 4.996 -6.789 -2.214 1.00 0.00 C ATOM 540 NH1 ARG A 34 4.671 -7.487 -3.294 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.252 -7.419 -1.075 1.00 0.00 N ATOM 0 H ARG A 34 4.848 -0.889 -4.524 1.00 0.00 H new ATOM 0 HA ARG A 34 5.788 -0.970 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.541 -2.694 -4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.779 -3.111 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.290 -3.025 -2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.100 -2.716 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.851 -5.017 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.573 -4.897 -4.221 1.00 0.00 H new ATOM 0 HE ARG A 34 5.316 -4.957 -1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.473 -7.006 -4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.620 -8.505 -3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.501 -6.886 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.199 -8.437 -1.032 1.00 0.00 H new ATOM 555 N SER A 35 8.020 -0.319 -4.203 1.00 0.00 N ATOM 556 CA SER A 35 9.364 0.199 -4.432 1.00 0.00 C ATOM 557 C SER A 35 9.642 1.402 -3.536 1.00 0.00 C ATOM 558 O SER A 35 10.601 1.408 -2.764 1.00 0.00 O ATOM 559 CB SER A 35 9.539 0.591 -5.900 1.00 0.00 C ATOM 560 OG SER A 35 10.910 0.645 -6.253 1.00 0.00 O ATOM 0 H SER A 35 7.484 -0.491 -5.054 1.00 0.00 H new ATOM 0 HA SER A 35 10.077 -0.588 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.025 -0.129 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.076 1.561 -6.078 1.00 0.00 H new ATOM 0 HG SER A 35 10.995 0.896 -7.196 1.00 0.00 H new ATOM 566 N LYS A 36 8.796 2.420 -3.645 1.00 0.00 N ATOM 567 CA LYS A 36 8.947 3.630 -2.845 1.00 0.00 C ATOM 568 C LYS A 36 9.023 3.294 -1.359 1.00 0.00 C ATOM 569 O LYS A 36 10.043 3.526 -0.711 1.00 0.00 O ATOM 570 CB LYS A 36 7.781 4.587 -3.104 1.00 0.00 C ATOM 571 CG LYS A 36 7.607 4.952 -4.568 1.00 0.00 C ATOM 572 CD LYS A 36 8.794 5.745 -5.089 1.00 0.00 C ATOM 573 CE LYS A 36 8.764 7.183 -4.594 1.00 0.00 C ATOM 574 NZ LYS A 36 9.862 7.996 -5.187 1.00 0.00 N ATOM 0 H LYS A 36 7.998 2.432 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 36 9.878 4.115 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.860 4.131 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.935 5.499 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.487 4.044 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.695 5.536 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.720 5.268 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.790 5.734 -6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.803 7.633 -4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.849 7.195 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.808 8.969 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.780 7.581 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.766 8.006 -6.223 1.00 0.00 H new ATOM 588 N ALA A 37 7.936 2.745 -0.825 1.00 0.00 N ATOM 589 CA ALA A 37 7.881 2.374 0.583 1.00 0.00 C ATOM 590 C ALA A 37 9.153 1.648 1.010 1.00 0.00 C ATOM 591 O ALA A 37 9.594 1.767 2.153 1.00 0.00 O ATOM 592 CB ALA A 37 6.661 1.506 0.853 1.00 0.00 C ATOM 0 H ALA A 37 7.082 2.548 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 37 7.801 3.288 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.633 1.236 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.757 2.058 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.718 0.601 0.249 1.00 0.00 H new ATOM 598 N LYS A 38 9.738 0.896 0.085 1.00 0.00 N ATOM 599 CA LYS A 38 10.960 0.151 0.364 1.00 0.00 C ATOM 600 C LYS A 38 12.173 1.076 0.366 1.00 0.00 C ATOM 601 O LYS A 38 13.117 0.876 1.131 1.00 0.00 O ATOM 602 CB LYS A 38 11.154 -0.958 -0.672 1.00 0.00 C ATOM 603 CG LYS A 38 12.254 -1.942 -0.312 1.00 0.00 C ATOM 604 CD LYS A 38 12.426 -3.004 -1.385 1.00 0.00 C ATOM 605 CE LYS A 38 13.859 -3.510 -1.445 1.00 0.00 C ATOM 606 NZ LYS A 38 14.152 -4.477 -0.351 1.00 0.00 N ATOM 0 H LYS A 38 9.385 0.786 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 38 10.864 -0.297 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.216 -1.501 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.384 -0.506 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.193 -1.405 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.019 -2.419 0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.753 -3.838 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.144 -2.593 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.035 -3.988 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.545 -2.666 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.138 -4.798 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.008 -4.014 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.514 -5.295 -0.430 1.00 0.00 H new ATOM 620 N ILE A 39 12.140 2.089 -0.493 1.00 0.00 N ATOM 621 CA ILE A 39 13.235 3.046 -0.588 1.00 0.00 C ATOM 622 C ILE A 39 13.213 4.024 0.582 1.00 0.00 C ATOM 623 O ILE A 39 14.260 4.399 1.111 1.00 0.00 O ATOM 624 CB ILE A 39 13.178 3.840 -1.907 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.283 2.891 -3.103 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.288 4.879 -1.949 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.603 3.412 -4.349 1.00 0.00 C ATOM 0 H ILE A 39 11.367 2.268 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 39 14.160 2.470 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 39 12.221 4.358 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.335 2.710 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.844 1.930 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.234 5.431 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.172 5.570 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.255 4.381 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.718 2.688 -5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.543 3.566 -4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.058 4.358 -4.643 1.00 0.00 H new ATOM 639 N ALA A 40 12.014 4.433 0.982 1.00 0.00 N ATOM 640 CA ALA A 40 11.855 5.365 2.092 1.00 0.00 C ATOM 641 C ALA A 40 12.283 4.727 3.409 1.00 0.00 C ATOM 642 O ALA A 40 13.035 5.320 4.182 1.00 0.00 O ATOM 643 CB ALA A 40 10.413 5.842 2.178 1.00 0.00 C ATOM 0 H ALA A 40 11.138 4.134 0.554 1.00 0.00 H new ATOM 0 HA ALA A 40 12.500 6.224 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.309 6.537 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.140 6.344 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.756 4.987 2.335 1.00 0.00 H new ATOM 649 N PHE A 41 11.798 3.515 3.659 1.00 0.00 N ATOM 650 CA PHE A 41 12.129 2.797 4.884 1.00 0.00 C ATOM 651 C PHE A 41 13.419 1.999 4.716 1.00 0.00 C ATOM 652 O PHE A 41 14.242 1.929 5.627 1.00 0.00 O ATOM 653 CB PHE A 41 10.985 1.861 5.277 1.00 0.00 C ATOM 654 CG PHE A 41 9.743 2.583 5.714 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.004 3.328 4.809 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.314 2.518 7.030 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.860 3.994 5.208 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.171 3.181 7.435 1.00 0.00 C ATOM 659 CZ PHE A 41 7.444 3.921 6.523 1.00 0.00 C ATOM 0 H PHE A 41 11.174 3.010 3.029 1.00 0.00 H new ATOM 0 HA PHE A 41 12.277 3.531 5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.744 1.220 4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.320 1.210 6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.325 3.389 3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.880 1.942 7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.292 4.570 4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.847 3.121 8.463 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.552 4.442 6.838 1.00 0.00 H new ATOM 669 N GLY A 42 13.587 1.398 3.542 1.00 0.00 N ATOM 670 CA GLY A 42 14.777 0.612 3.274 1.00 0.00 C ATOM 671 C GLY A 42 14.604 -0.848 3.644 1.00 0.00 C ATOM 672 O GLY A 42 15.579 -1.540 3.934 1.00 0.00 O ATOM 0 H GLY A 42 12.920 1.442 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.028 0.688 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.616 1.028 3.831 1.00 0.00 H new ATOM 676 N GLN A 43 13.359 -1.315 3.636 1.00 0.00 N ATOM 677 CA GLN A 43 13.062 -2.701 3.976 1.00 0.00 C ATOM 678 C GLN A 43 11.815 -3.186 3.243 1.00 0.00 C ATOM 679 O GLN A 43 10.878 -2.420 3.019 1.00 0.00 O ATOM 680 CB GLN A 43 12.870 -2.848 5.486 1.00 0.00 C ATOM 681 CG GLN A 43 14.155 -3.165 6.235 1.00 0.00 C ATOM 682 CD GLN A 43 14.408 -4.655 6.354 1.00 0.00 C ATOM 683 OE1 GLN A 43 15.471 -5.148 5.975 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.431 -5.382 6.883 1.00 0.00 N ATOM 0 H GLN A 43 12.541 -0.754 3.398 1.00 0.00 H new ATOM 0 HA GLN A 43 13.907 -3.315 3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.447 -1.925 5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.144 -3.638 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.995 -2.697 5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.107 -2.728 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.566 -4.932 7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.545 -6.390 6.989 1.00 0.00 H new ATOM 693 N SER A 44 11.812 -4.462 2.872 1.00 0.00 N ATOM 694 CA SER A 44 10.682 -5.048 2.161 1.00 0.00 C ATOM 695 C SER A 44 9.495 -5.250 3.099 1.00 0.00 C ATOM 696 O SER A 44 9.595 -5.959 4.099 1.00 0.00 O ATOM 697 CB SER A 44 11.084 -6.385 1.534 1.00 0.00 C ATOM 698 OG SER A 44 9.949 -7.085 1.054 1.00 0.00 O ATOM 0 H SER A 44 12.579 -5.110 3.052 1.00 0.00 H new ATOM 0 HA SER A 44 10.385 -4.359 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.781 -6.211 0.714 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.606 -6.994 2.272 1.00 0.00 H new ATOM 0 HG SER A 44 10.233 -7.935 0.657 1.00 0.00 H new ATOM 704 N MET A 45 8.373 -4.621 2.766 1.00 0.00 N ATOM 705 CA MET A 45 7.166 -4.731 3.577 1.00 0.00 C ATOM 706 C MET A 45 5.923 -4.798 2.696 1.00 0.00 C ATOM 707 O MET A 45 5.917 -4.290 1.574 1.00 0.00 O ATOM 708 CB MET A 45 7.061 -3.546 4.538 1.00 0.00 C ATOM 709 CG MET A 45 7.410 -2.212 3.898 1.00 0.00 C ATOM 710 SD MET A 45 7.744 -0.924 5.115 1.00 0.00 S ATOM 711 CE MET A 45 9.067 -1.681 6.055 1.00 0.00 C ATOM 0 H MET A 45 8.274 -4.030 1.941 1.00 0.00 H new ATOM 0 HA MET A 45 7.230 -5.653 4.155 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.046 -3.496 4.931 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.723 -3.717 5.387 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.284 -2.338 3.259 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.588 -1.895 3.256 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.762 -0.911 6.391 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.650 -2.196 6.920 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.596 -2.398 5.427 1.00 0.00 H new ATOM 721 N ASP A 46 4.872 -5.428 3.210 1.00 0.00 N ATOM 722 CA ASP A 46 3.623 -5.560 2.469 1.00 0.00 C ATOM 723 C ASP A 46 2.843 -4.249 2.480 1.00 0.00 C ATOM 724 O ASP A 46 3.113 -3.360 3.289 1.00 0.00 O ATOM 725 CB ASP A 46 2.768 -6.680 3.065 1.00 0.00 C ATOM 726 CG ASP A 46 3.157 -8.047 2.537 1.00 0.00 C ATOM 727 OD1 ASP A 46 3.582 -8.132 1.366 1.00 0.00 O ATOM 728 OD2 ASP A 46 3.035 -9.033 3.294 1.00 0.00 O ATOM 0 H ASP A 46 4.860 -5.855 4.136 1.00 0.00 H new ATOM 0 HA ASP A 46 3.867 -5.809 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.867 -6.671 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.718 -6.491 2.839 1.00 0.00 H new ATOM 733 N LEU A 47 1.876 -4.134 1.577 1.00 0.00 N ATOM 734 CA LEU A 47 1.057 -2.931 1.481 1.00 0.00 C ATOM 735 C LEU A 47 -0.420 -3.260 1.676 1.00 0.00 C ATOM 736 O LEU A 47 -1.092 -3.717 0.751 1.00 0.00 O ATOM 737 CB LEU A 47 1.266 -2.255 0.125 1.00 0.00 C ATOM 738 CG LEU A 47 2.396 -1.227 0.054 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.736 -1.887 0.337 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.412 -0.545 -1.306 1.00 0.00 C ATOM 0 H LEU A 47 1.640 -4.860 0.900 1.00 0.00 H new ATOM 0 HA LEU A 47 1.365 -2.248 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.459 -3.029 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.336 -1.763 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 47 2.220 -0.468 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.528 -1.140 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.721 -2.328 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.921 -2.667 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.222 0.183 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.564 -1.292 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.461 -0.037 -1.470 1.00 0.00 H new ATOM 752 N HIS A 48 -0.919 -3.022 2.885 1.00 0.00 N ATOM 753 CA HIS A 48 -2.318 -3.291 3.200 1.00 0.00 C ATOM 754 C HIS A 48 -3.116 -1.993 3.280 1.00 0.00 C ATOM 755 O HIS A 48 -2.931 -1.195 4.199 1.00 0.00 O ATOM 756 CB HIS A 48 -2.427 -4.052 4.522 1.00 0.00 C ATOM 757 CG HIS A 48 -1.918 -5.459 4.447 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.784 -5.812 3.745 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.393 -6.603 4.992 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.586 -7.113 3.861 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.548 -7.617 4.613 1.00 0.00 N ATOM 0 H HIS A 48 -0.376 -2.644 3.662 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.734 -3.904 2.400 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.870 -3.513 5.289 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.470 -4.068 4.838 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.273 -6.700 5.610 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.225 -7.670 3.416 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.647 -8.599 4.870 1.00 0.00 H new ATOM 770 N TYR A 49 -4.001 -1.789 2.311 1.00 0.00 N ATOM 771 CA TYR A 49 -4.825 -0.586 2.270 1.00 0.00 C ATOM 772 C TYR A 49 -6.261 -0.895 2.684 1.00 0.00 C ATOM 773 O TYR A 49 -6.837 -1.901 2.269 1.00 0.00 O ATOM 774 CB TYR A 49 -4.806 0.022 0.867 1.00 0.00 C ATOM 775 CG TYR A 49 -5.940 -0.453 -0.014 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.856 -1.659 -0.699 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.095 0.306 -0.163 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.889 -2.096 -1.505 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.133 -0.125 -0.966 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.026 -1.326 -1.635 1.00 0.00 C ATOM 781 OH TYR A 49 -9.057 -1.757 -2.437 1.00 0.00 O ATOM 0 H TYR A 49 -4.167 -2.440 1.544 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.410 0.133 2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.852 1.108 0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.858 -0.221 0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.968 -2.265 -0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.182 1.248 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.807 -3.036 -2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.024 0.476 -1.069 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.907 -1.419 -2.087 1.00 0.00 H new ATOM 791 N THR A 50 -6.834 -0.021 3.505 1.00 0.00 N ATOM 792 CA THR A 50 -8.201 -0.198 3.977 1.00 0.00 C ATOM 793 C THR A 50 -9.160 0.735 3.246 1.00 0.00 C ATOM 794 O THR A 50 -8.818 1.877 2.940 1.00 0.00 O ATOM 795 CB THR A 50 -8.311 0.056 5.492 1.00 0.00 C ATOM 796 OG1 THR A 50 -8.044 1.434 5.778 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.336 -0.824 6.260 1.00 0.00 C ATOM 0 H THR A 50 -6.372 0.817 3.857 1.00 0.00 H new ATOM 0 HA THR A 50 -8.475 -1.232 3.769 1.00 0.00 H new ATOM 0 HB THR A 50 -9.325 -0.191 5.807 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.118 1.588 6.743 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.432 -0.627 7.328 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.559 -1.873 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.318 -0.604 5.940 1.00 0.00 H new ATOM 805 N ASN A 51 -10.363 0.242 2.969 1.00 0.00 N ATOM 806 CA ASN A 51 -11.372 1.033 2.274 1.00 0.00 C ATOM 807 C ASN A 51 -12.323 1.696 3.267 1.00 0.00 C ATOM 808 O ASN A 51 -12.353 2.919 3.391 1.00 0.00 O ATOM 809 CB ASN A 51 -12.162 0.152 1.305 1.00 0.00 C ATOM 810 CG ASN A 51 -13.448 0.809 0.843 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.643 2.011 1.022 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.334 0.020 0.245 1.00 0.00 N ATOM 0 H ASN A 51 -10.663 -0.701 3.215 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.861 1.814 1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.542 -0.076 0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.395 -0.797 1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.218 0.406 -0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.130 -0.971 0.118 1.00 0.00 H new ATOM 819 N ASN A 52 -13.098 0.878 3.972 1.00 0.00 N ATOM 820 CA ASN A 52 -14.049 1.384 4.954 1.00 0.00 C ATOM 821 C ASN A 52 -13.871 0.682 6.297 1.00 0.00 C ATOM 822 O ASN A 52 -13.413 1.284 7.267 1.00 0.00 O ATOM 823 CB ASN A 52 -15.482 1.193 4.452 1.00 0.00 C ATOM 824 CG ASN A 52 -16.473 2.079 5.181 1.00 0.00 C ATOM 825 OD1 ASN A 52 -16.110 3.127 5.716 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.734 1.661 5.206 1.00 0.00 N ATOM 0 H ASN A 52 -13.086 -0.138 3.881 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.858 2.448 5.093 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.522 1.410 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.772 0.150 4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.446 2.215 5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.990 0.786 4.749 1.00 0.00 H new ATOM 833 N GLU A 53 -14.237 -0.596 6.343 1.00 0.00 N ATOM 834 CA GLU A 53 -14.117 -1.379 7.567 1.00 0.00 C ATOM 835 C GLU A 53 -13.444 -2.721 7.291 1.00 0.00 C ATOM 836 O GLU A 53 -13.699 -3.710 7.979 1.00 0.00 O ATOM 837 CB GLU A 53 -15.496 -1.607 8.190 1.00 0.00 C ATOM 838 CG GLU A 53 -16.275 -0.325 8.429 1.00 0.00 C ATOM 839 CD GLU A 53 -17.236 -0.435 9.597 1.00 0.00 C ATOM 840 OE1 GLU A 53 -18.313 -1.042 9.423 1.00 0.00 O ATOM 841 OE2 GLU A 53 -16.910 0.086 10.684 1.00 0.00 O ATOM 0 H GLU A 53 -14.618 -1.110 5.548 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.498 -0.818 8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -16.077 -2.259 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.375 -2.131 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.576 0.491 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.832 -0.070 7.528 1.00 0.00 H new ATOM 848 N LEU A 54 -12.584 -2.747 6.279 1.00 0.00 N ATOM 849 CA LEU A 54 -11.873 -3.966 5.909 1.00 0.00 C ATOM 850 C LEU A 54 -10.467 -3.647 5.410 1.00 0.00 C ATOM 851 O LEU A 54 -10.164 -2.505 5.066 1.00 0.00 O ATOM 852 CB LEU A 54 -12.649 -4.726 4.832 1.00 0.00 C ATOM 853 CG LEU A 54 -14.007 -5.288 5.254 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.952 -5.349 4.064 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.844 -6.665 5.879 1.00 0.00 C ATOM 0 H LEU A 54 -12.362 -1.937 5.700 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.789 -4.592 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.802 -4.059 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.030 -5.551 4.481 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.438 -4.621 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.913 -5.751 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.094 -4.346 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.527 -5.993 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.821 -7.049 6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.391 -7.342 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.203 -6.592 6.758 1.00 0.00 H new ATOM 867 N VAL A 55 -9.614 -4.665 5.372 1.00 0.00 N ATOM 868 CA VAL A 55 -8.241 -4.495 4.911 1.00 0.00 C ATOM 869 C VAL A 55 -7.968 -5.340 3.673 1.00 0.00 C ATOM 870 O VAL A 55 -8.308 -6.523 3.628 1.00 0.00 O ATOM 871 CB VAL A 55 -7.229 -4.872 6.010 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.804 -4.704 5.505 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.463 -4.035 7.259 1.00 0.00 C ATOM 0 H VAL A 55 -9.849 -5.616 5.655 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.120 -3.441 4.661 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.375 -5.920 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.104 -4.975 6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.645 -5.351 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.641 -3.666 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.740 -4.314 8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.345 -2.979 7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.472 -4.211 7.631 1.00 0.00 H new ATOM 883 N ILE A 56 -7.351 -4.726 2.668 1.00 0.00 N ATOM 884 CA ILE A 56 -7.030 -5.423 1.429 1.00 0.00 C ATOM 885 C ILE A 56 -5.528 -5.417 1.167 1.00 0.00 C ATOM 886 O ILE A 56 -4.943 -4.402 0.789 1.00 0.00 O ATOM 887 CB ILE A 56 -7.752 -4.791 0.225 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.230 -4.565 0.550 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.604 -5.674 -1.005 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.505 -3.238 1.222 1.00 0.00 C ATOM 0 H ILE A 56 -7.064 -3.747 2.688 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.371 -6.451 1.548 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.294 -3.825 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.809 -4.623 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.579 -5.370 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.120 -5.214 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.547 -5.789 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.039 -6.653 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.572 -3.146 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.953 -3.184 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.188 -2.426 0.568 1.00 0.00 H new ATOM 902 N PRO A 57 -4.887 -6.577 1.372 1.00 0.00 N ATOM 903 CA PRO A 57 -3.444 -6.732 1.162 1.00 0.00 C ATOM 904 C PRO A 57 -3.063 -6.668 -0.314 1.00 0.00 C ATOM 905 O PRO A 57 -3.159 -7.663 -1.034 1.00 0.00 O ATOM 906 CB PRO A 57 -3.151 -8.123 1.730 1.00 0.00 C ATOM 907 CG PRO A 57 -4.443 -8.856 1.623 1.00 0.00 C ATOM 908 CD PRO A 57 -5.521 -7.827 1.823 1.00 0.00 C ATOM 0 HA PRO A 57 -2.874 -5.934 1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.364 -8.623 1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.813 -8.065 2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.539 -9.338 0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.509 -9.642 2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.412 -8.059 1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.831 -7.767 2.866 1.00 0.00 H new ATOM 916 N LEU A 58 -2.630 -5.494 -0.757 1.00 0.00 N ATOM 917 CA LEU A 58 -2.233 -5.300 -2.148 1.00 0.00 C ATOM 918 C LEU A 58 -1.136 -6.284 -2.543 1.00 0.00 C ATOM 919 O LEU A 58 0.042 -6.065 -2.258 1.00 0.00 O ATOM 920 CB LEU A 58 -1.750 -3.865 -2.366 1.00 0.00 C ATOM 921 CG LEU A 58 -2.842 -2.802 -2.493 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.341 -1.459 -1.984 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.308 -2.686 -3.937 1.00 0.00 C ATOM 0 H LEU A 58 -2.544 -4.661 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.104 -5.483 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.099 -3.592 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.141 -3.841 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.691 -3.106 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.131 -0.715 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.057 -1.550 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.475 -1.148 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.085 -1.925 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.466 -2.405 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.707 -3.645 -4.269 1.00 0.00 H new ATOM 935 N THR A 59 -1.531 -7.368 -3.203 1.00 0.00 N ATOM 936 CA THR A 59 -0.582 -8.385 -3.639 1.00 0.00 C ATOM 937 C THR A 59 -0.439 -8.390 -5.157 1.00 0.00 C ATOM 938 O THR A 59 0.667 -8.499 -5.687 1.00 0.00 O ATOM 939 CB THR A 59 -1.008 -9.789 -3.170 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.336 -10.075 -3.624 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.951 -9.893 -1.654 1.00 0.00 C ATOM 0 H THR A 59 -2.502 -7.564 -3.447 1.00 0.00 H new ATOM 0 HA THR A 59 0.378 -8.135 -3.188 1.00 0.00 H new ATOM 0 HB THR A 59 -0.315 -10.516 -3.594 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.599 -10.970 -3.323 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.256 -10.893 -1.346 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.067 -9.704 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.623 -9.157 -1.213 1.00 0.00 H new ATOM 949 N THR A 60 -1.566 -8.269 -5.853 1.00 0.00 N ATOM 950 CA THR A 60 -1.567 -8.260 -7.310 1.00 0.00 C ATOM 951 C THR A 60 -2.085 -6.933 -7.851 1.00 0.00 C ATOM 952 O THR A 60 -2.762 -6.187 -7.145 1.00 0.00 O ATOM 953 CB THR A 60 -2.426 -9.405 -7.879 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.784 -9.257 -7.449 1.00 0.00 O ATOM 955 CG2 THR A 60 -1.892 -10.757 -7.431 1.00 0.00 C ATOM 0 H THR A 60 -2.490 -8.176 -5.430 1.00 0.00 H new ATOM 0 HA THR A 60 -0.534 -8.400 -7.627 1.00 0.00 H new ATOM 0 HB THR A 60 -2.381 -9.357 -8.967 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.816 -8.675 -6.661 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.515 -11.550 -7.845 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.868 -10.879 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.910 -10.813 -6.343 1.00 0.00 H new ATOM 963 N GLN A 61 -1.764 -6.646 -9.109 1.00 0.00 N ATOM 964 CA GLN A 61 -2.199 -5.408 -9.744 1.00 0.00 C ATOM 965 C GLN A 61 -3.718 -5.276 -9.697 1.00 0.00 C ATOM 966 O GLN A 61 -4.248 -4.221 -9.347 1.00 0.00 O ATOM 967 CB GLN A 61 -1.716 -5.357 -11.195 1.00 0.00 C ATOM 968 CG GLN A 61 -2.124 -4.090 -11.928 1.00 0.00 C ATOM 969 CD GLN A 61 -1.347 -2.872 -11.468 1.00 0.00 C ATOM 970 OE1 GLN A 61 -0.182 -2.975 -11.081 1.00 0.00 O ATOM 971 NE2 GLN A 61 -1.989 -1.710 -11.506 1.00 0.00 N ATOM 0 H GLN A 61 -1.205 -7.254 -9.708 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.763 -4.575 -9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.629 -5.442 -11.211 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.111 -6.220 -11.731 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.973 -4.230 -12.998 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.189 -3.915 -11.777 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.954 -1.671 -11.834 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.517 -0.857 -11.207 1.00 0.00 H new ATOM 980 N ASP A 62 -4.411 -6.351 -10.051 1.00 0.00 N ATOM 981 CA ASP A 62 -5.870 -6.356 -10.049 1.00 0.00 C ATOM 982 C ASP A 62 -6.413 -5.624 -8.826 1.00 0.00 C ATOM 983 O ASP A 62 -7.342 -4.822 -8.932 1.00 0.00 O ATOM 984 CB ASP A 62 -6.396 -7.792 -10.075 1.00 0.00 C ATOM 985 CG ASP A 62 -6.467 -8.357 -11.480 1.00 0.00 C ATOM 986 OD1 ASP A 62 -7.400 -7.985 -12.222 1.00 0.00 O ATOM 987 OD2 ASP A 62 -5.590 -9.172 -11.837 1.00 0.00 O ATOM 0 H ASP A 62 -3.987 -7.231 -10.343 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.213 -5.836 -10.944 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.750 -8.423 -9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.388 -7.821 -9.624 1.00 0.00 H new ATOM 992 N ASP A 63 -5.829 -5.906 -7.666 1.00 0.00 N ATOM 993 CA ASP A 63 -6.255 -5.274 -6.423 1.00 0.00 C ATOM 994 C ASP A 63 -6.026 -3.767 -6.472 1.00 0.00 C ATOM 995 O ASP A 63 -6.941 -2.981 -6.222 1.00 0.00 O ATOM 996 CB ASP A 63 -5.503 -5.878 -5.236 1.00 0.00 C ATOM 997 CG ASP A 63 -5.810 -7.350 -5.043 1.00 0.00 C ATOM 998 OD1 ASP A 63 -5.281 -8.172 -5.820 1.00 0.00 O ATOM 999 OD2 ASP A 63 -6.580 -7.680 -4.117 1.00 0.00 O ATOM 0 H ASP A 63 -5.060 -6.568 -7.561 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.322 -5.457 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.431 -5.750 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.765 -5.333 -4.329 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.800 -3.370 -6.796 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.450 -1.957 -6.878 1.00 0.00 C ATOM 1006 C LEU A 64 -5.425 -1.206 -7.779 1.00 0.00 C ATOM 1007 O LEU A 64 -6.023 -0.210 -7.371 1.00 0.00 O ATOM 1008 CB LEU A 64 -3.023 -1.794 -7.403 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.638 -0.392 -7.877 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.727 0.602 -6.729 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.238 -0.397 -8.473 1.00 0.00 C ATOM 0 H LEU A 64 -4.032 -4.007 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.512 -1.534 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.331 -2.092 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.881 -2.488 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.340 -0.085 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.450 1.594 -7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.747 0.626 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.048 0.299 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.980 0.609 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.523 -0.724 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.207 -1.079 -9.323 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.581 -1.690 -9.006 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.486 -1.067 -9.965 1.00 0.00 C ATOM 1025 C ASP A 65 -7.870 -0.867 -9.355 1.00 0.00 C ATOM 1026 O ASP A 65 -8.528 0.144 -9.601 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.591 -1.921 -11.229 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.858 -1.091 -12.469 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -6.372 0.058 -12.529 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -7.554 -1.589 -13.379 1.00 0.00 O ATOM 0 H ASP A 65 -5.092 -2.512 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.080 -0.090 -10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.666 -2.481 -11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.391 -2.651 -11.105 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.306 -1.837 -8.560 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.612 -1.769 -7.914 1.00 0.00 C ATOM 1037 C LYS A 66 -9.576 -0.830 -6.712 1.00 0.00 C ATOM 1038 O LYS A 66 -10.600 -0.274 -6.316 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.059 -3.164 -7.471 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.855 -3.911 -8.527 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.399 -5.224 -7.990 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.704 -5.020 -7.236 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.328 -6.315 -6.847 1.00 0.00 N ATOM 0 H LYS A 66 -7.774 -2.681 -8.347 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.327 -1.378 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.180 -3.752 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.664 -3.073 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.680 -3.287 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.221 -4.105 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.559 -5.917 -8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.663 -5.681 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.518 -4.424 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.398 -4.455 -7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.215 -6.133 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.529 -6.874 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.676 -6.844 -6.233 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.390 -0.656 -6.138 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.221 0.218 -4.984 1.00 0.00 C ATOM 1059 C ALA A 67 -8.043 1.669 -5.417 1.00 0.00 C ATOM 1060 O ALA A 67 -8.384 2.594 -4.679 1.00 0.00 O ATOM 1061 CB ALA A 67 -7.033 -0.235 -4.148 1.00 0.00 C ATOM 0 H ALA A 67 -7.532 -1.109 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.124 0.155 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.919 0.427 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.200 -1.254 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.128 -0.202 -4.754 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.505 1.863 -6.617 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.282 3.202 -7.148 1.00 0.00 C ATOM 1069 C VAL A 68 -8.569 3.789 -7.718 1.00 0.00 C ATOM 1070 O VAL A 68 -8.842 4.978 -7.563 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.202 3.198 -8.246 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -6.030 4.591 -8.831 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.884 2.676 -7.694 1.00 0.00 C ATOM 0 H VAL A 68 -7.215 1.109 -7.240 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.942 3.819 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.524 2.532 -9.046 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.263 4.568 -9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.973 4.923 -9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.730 5.282 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.132 2.680 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.554 3.315 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.020 1.658 -7.328 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.356 2.945 -8.378 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.615 3.380 -8.971 1.00 0.00 C ATOM 1085 C GLU A 69 -11.604 3.812 -7.893 1.00 0.00 C ATOM 1086 O GLU A 69 -12.333 4.791 -8.059 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.221 2.258 -9.816 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.700 1.071 -8.997 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.535 0.100 -9.809 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.672 0.460 -10.179 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.050 -1.020 -10.075 1.00 0.00 O ATOM 0 H GLU A 69 -9.144 1.957 -8.515 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.408 4.236 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.059 2.657 -10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.478 1.916 -10.537 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.838 0.547 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.287 1.431 -8.152 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.624 3.076 -6.788 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.524 3.381 -5.681 1.00 0.00 C ATOM 1100 C LEU A 70 -12.081 4.645 -4.951 1.00 0.00 C ATOM 1101 O LEU A 70 -12.897 5.350 -4.357 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.578 2.206 -4.703 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.552 2.228 -3.570 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.039 3.102 -2.425 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.266 0.815 -3.081 1.00 0.00 C ATOM 0 H LEU A 70 -11.027 2.263 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.520 3.551 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.575 2.171 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.446 1.283 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.625 2.652 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.295 3.105 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.191 4.120 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.980 2.708 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.534 0.850 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.188 0.363 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.872 0.218 -3.903 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.783 4.927 -5.002 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.231 6.108 -4.348 1.00 0.00 C ATOM 1119 C LEU A 71 -10.731 7.384 -5.015 1.00 0.00 C ATOM 1120 O LEU A 71 -11.162 8.321 -4.342 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.702 6.066 -4.383 1.00 0.00 C ATOM 1122 CG LEU A 71 -7.989 7.395 -4.136 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.315 7.927 -2.749 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.485 7.234 -4.306 1.00 0.00 C ATOM 0 H LEU A 71 -10.094 4.354 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.565 6.108 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.361 5.349 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.391 5.685 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.343 8.116 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.798 8.874 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.390 8.082 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.990 7.207 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.994 8.190 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.115 6.497 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.267 6.899 -5.320 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.674 7.413 -6.342 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.125 8.574 -7.101 1.00 0.00 C ATOM 1138 C ASP A 72 -12.591 8.880 -6.808 1.00 0.00 C ATOM 1139 O ASP A 72 -12.946 10.013 -6.482 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.931 8.337 -8.600 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.959 9.625 -9.398 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -10.393 10.631 -8.922 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -11.546 9.626 -10.500 1.00 0.00 O ATOM 0 H ASP A 72 -10.320 6.646 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.525 9.431 -6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.979 7.832 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.713 7.671 -8.964 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.437 7.862 -6.927 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.864 8.023 -6.677 1.00 0.00 C ATOM 1150 C ARG A 73 -15.125 8.368 -5.213 1.00 0.00 C ATOM 1151 O ARG A 73 -15.994 9.183 -4.903 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.616 6.744 -7.051 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.353 5.583 -6.105 1.00 0.00 C ATOM 1154 CD ARG A 73 -16.050 4.315 -6.572 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.451 4.277 -6.158 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.379 3.554 -6.773 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -18.058 2.812 -7.824 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.632 3.571 -6.337 1.00 0.00 N ATOM 0 H ARG A 73 -13.159 6.918 -7.195 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.225 8.844 -7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.686 6.953 -7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.334 6.449 -8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.280 5.405 -6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.699 5.842 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.991 4.248 -7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.529 3.446 -6.170 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.731 4.837 -5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.096 2.796 -8.162 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.773 2.258 -8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.883 4.140 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.344 3.015 -6.810 1.00 0.00 H new ATOM 1172 N SER A 74 -14.365 7.744 -4.319 1.00 0.00 N ATOM 1173 CA SER A 74 -14.516 7.982 -2.888 1.00 0.00 C ATOM 1174 C SER A 74 -14.109 9.407 -2.529 1.00 0.00 C ATOM 1175 O SER A 74 -12.945 9.785 -2.667 1.00 0.00 O ATOM 1176 CB SER A 74 -13.675 6.983 -2.092 1.00 0.00 C ATOM 1177 OG SER A 74 -12.293 7.157 -2.353 1.00 0.00 O ATOM 0 H SER A 74 -13.639 7.070 -4.560 1.00 0.00 H new ATOM 0 HA SER A 74 -15.567 7.847 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.866 7.110 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.972 5.966 -2.350 1.00 0.00 H new ATOM 0 HG SER A 74 -12.165 7.940 -2.929 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.075 10.194 -2.068 1.00 0.00 N ATOM 1184 CA ILE A 75 -14.818 11.577 -1.687 1.00 0.00 C ATOM 1185 C ILE A 75 -14.214 11.660 -0.290 1.00 0.00 C ATOM 1186 O ILE A 75 -13.073 12.092 -0.119 1.00 0.00 O ATOM 1187 CB ILE A 75 -16.105 12.421 -1.729 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -16.686 12.437 -3.144 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -15.826 13.838 -1.250 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -18.181 12.667 -3.182 1.00 0.00 C ATOM 0 H ILE A 75 -16.044 9.897 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.108 11.976 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 75 -16.838 11.970 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -16.192 13.218 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -16.460 11.489 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -16.746 14.422 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -15.454 13.809 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.078 14.299 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -18.523 12.666 -4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -18.685 11.872 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -18.413 13.629 -2.724 1.00 0.00 H new ATOM 1202 N HIS A 76 -14.986 11.241 0.708 1.00 0.00 N ATOM 1203 CA HIS A 76 -14.526 11.265 2.092 1.00 0.00 C ATOM 1204 C HIS A 76 -13.088 10.764 2.196 1.00 0.00 C ATOM 1205 O HIS A 76 -12.291 11.293 2.970 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.440 10.412 2.971 1.00 0.00 C ATOM 1207 CG HIS A 76 -15.738 9.063 2.392 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -16.533 8.698 1.360 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.190 7.896 2.883 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.451 7.332 1.245 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.634 6.872 2.176 1.00 0.00 N flip ATOM 0 H HIS A 76 -15.932 10.881 0.584 1.00 0.00 H new ATOM 0 HA HIS A 76 -14.559 12.297 2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.975 10.284 3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.377 10.945 3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.505 7.830 3.715 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.970 6.731 0.513 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.388 5.893 2.324 1.00 0.00 H new ATOM 1220 N MET A 77 -12.766 9.741 1.412 1.00 0.00 N ATOM 1221 CA MET A 77 -11.424 9.169 1.416 1.00 0.00 C ATOM 1222 C MET A 77 -10.410 10.157 0.848 1.00 0.00 C ATOM 1223 O MET A 77 -10.239 10.258 -0.367 1.00 0.00 O ATOM 1224 CB MET A 77 -11.397 7.871 0.606 1.00 0.00 C ATOM 1225 CG MET A 77 -10.046 7.175 0.618 1.00 0.00 C ATOM 1226 SD MET A 77 -10.184 5.387 0.432 1.00 0.00 S ATOM 1227 CE MET A 77 -9.101 5.107 -0.967 1.00 0.00 C ATOM 0 H MET A 77 -13.415 9.291 0.766 1.00 0.00 H new ATOM 0 HA MET A 77 -11.153 8.950 2.449 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.151 7.190 1.001 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.675 8.090 -0.425 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.429 7.574 -0.187 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.534 7.401 1.553 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.983 4.035 -1.127 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.533 5.561 -1.859 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.127 5.554 -0.768 1.00 0.00 H new ATOM 1237 N LYS A 78 -9.740 10.886 1.734 1.00 0.00 N ATOM 1238 CA LYS A 78 -8.742 11.866 1.322 1.00 0.00 C ATOM 1239 C LYS A 78 -7.690 11.226 0.422 1.00 0.00 C ATOM 1240 O LYS A 78 -7.314 11.788 -0.606 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.070 12.486 2.549 1.00 0.00 C ATOM 1242 CG LYS A 78 -8.759 13.744 3.049 1.00 0.00 C ATOM 1243 CD LYS A 78 -8.614 13.898 4.554 1.00 0.00 C ATOM 1244 CE LYS A 78 -8.631 15.361 4.969 1.00 0.00 C ATOM 1245 NZ LYS A 78 -8.237 15.538 6.394 1.00 0.00 N ATOM 0 H LYS A 78 -9.870 10.816 2.743 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.249 12.649 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.049 11.750 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.034 12.722 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.334 14.615 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.816 13.710 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.424 13.367 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.681 13.437 4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.952 15.927 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.629 15.771 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.261 16.549 6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.900 15.019 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.275 15.170 6.536 1.00 0.00 H new ATOM 1259 N SER A 79 -7.220 10.046 0.815 1.00 0.00 N ATOM 1260 CA SER A 79 -6.209 9.331 0.045 1.00 0.00 C ATOM 1261 C SER A 79 -6.279 7.831 0.318 1.00 0.00 C ATOM 1262 O SER A 79 -7.088 7.372 1.125 1.00 0.00 O ATOM 1263 CB SER A 79 -4.813 9.858 0.381 1.00 0.00 C ATOM 1264 OG SER A 79 -4.578 9.823 1.778 1.00 0.00 O ATOM 0 H SER A 79 -7.523 9.565 1.662 1.00 0.00 H new ATOM 0 HA SER A 79 -6.407 9.500 -1.013 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.061 9.259 -0.133 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.709 10.880 0.017 1.00 0.00 H new ATOM 0 HG SER A 79 -3.679 10.163 1.967 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.424 7.073 -0.359 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.387 5.624 -0.191 1.00 0.00 C ATOM 1272 C LEU A 80 -4.521 5.237 1.005 1.00 0.00 C ATOM 1273 O LEU A 80 -3.299 5.141 0.895 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.852 4.957 -1.459 1.00 0.00 C ATOM 1275 CG LEU A 80 -5.002 3.437 -1.532 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.460 3.054 -1.733 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.141 2.869 -2.651 1.00 0.00 C ATOM 0 H LEU A 80 -4.747 7.437 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.404 5.278 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.361 5.394 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.795 5.203 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.662 3.012 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.548 1.969 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.053 3.428 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.826 3.490 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.260 1.786 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.450 3.301 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.095 3.113 -2.465 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.164 5.015 2.146 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.455 4.634 3.362 1.00 0.00 C ATOM 1291 C LYS A 81 -3.771 3.281 3.193 1.00 0.00 C ATOM 1292 O LYS A 81 -4.391 2.314 2.749 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.422 4.584 4.547 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.747 4.267 5.870 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.593 4.718 7.049 1.00 0.00 C ATOM 1296 CE LYS A 81 -4.912 4.410 8.374 1.00 0.00 C ATOM 1297 NZ LYS A 81 -5.843 4.564 9.526 1.00 0.00 N ATOM 0 H LYS A 81 -6.175 5.092 2.254 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.690 5.386 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.932 5.544 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.187 3.833 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.566 3.194 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.774 4.757 5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.780 5.789 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.563 4.222 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.524 3.392 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.058 5.074 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.341 4.345 10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.194 5.542 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.645 3.912 9.413 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.493 3.220 3.550 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.727 1.985 3.440 1.00 0.00 C ATOM 1313 C ILE A 82 -1.113 1.597 4.781 1.00 0.00 C ATOM 1314 O ILE A 82 -0.722 2.459 5.570 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.606 2.109 2.391 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.162 2.674 1.083 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.050 0.757 2.155 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.198 1.784 0.433 1.00 0.00 C ATOM 0 H ILE A 82 -1.966 4.012 3.918 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.424 1.209 3.124 1.00 0.00 H new ATOM 0 HB ILE A 82 0.151 2.797 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.605 3.651 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.339 2.830 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.840 0.861 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.477 0.392 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.696 0.048 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.548 2.247 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.754 0.814 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.039 1.648 1.113 1.00 0.00 H new ATOM 1330 N LEU A 83 -1.030 0.295 5.032 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.461 -0.208 6.278 1.00 0.00 C ATOM 1332 C LEU A 83 0.696 -1.163 6.001 1.00 0.00 C ATOM 1333 O LEU A 83 0.487 -2.305 5.588 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.537 -0.917 7.103 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.598 -0.018 7.738 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.985 0.838 8.835 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.256 0.858 6.681 1.00 0.00 C ATOM 0 H LEU A 83 -1.349 -0.431 4.390 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.079 0.642 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.040 -1.641 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.046 -1.481 7.896 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.364 -0.652 8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.755 1.471 9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.561 0.194 9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.199 1.464 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.009 1.491 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.501 1.484 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.730 0.227 5.929 1.00 0.00 H new ATOM 1349 N LEU A 84 1.915 -0.690 6.234 1.00 0.00 N ATOM 1350 CA LEU A 84 3.106 -1.502 6.012 1.00 0.00 C ATOM 1351 C LEU A 84 3.266 -2.546 7.112 1.00 0.00 C ATOM 1352 O LEU A 84 3.172 -2.232 8.299 1.00 0.00 O ATOM 1353 CB LEU A 84 4.349 -0.614 5.951 1.00 0.00 C ATOM 1354 CG LEU A 84 4.324 0.507 4.911 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.612 1.314 4.965 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.108 -0.065 3.517 1.00 0.00 C ATOM 0 H LEU A 84 2.105 0.252 6.577 1.00 0.00 H new ATOM 0 HA LEU A 84 2.990 -2.019 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.500 -0.167 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.214 -1.247 5.752 1.00 0.00 H new ATOM 0 HG LEU A 84 3.493 1.173 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.576 2.107 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.725 1.754 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.460 0.660 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.093 0.746 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.918 -0.753 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.158 -0.598 3.486 1.00 0.00 H new ATOM 1368 N VAL A 85 3.510 -3.790 6.711 1.00 0.00 N ATOM 1369 CA VAL A 85 3.686 -4.880 7.663 1.00 0.00 C ATOM 1370 C VAL A 85 4.949 -5.677 7.357 1.00 0.00 C ATOM 1371 O VAL A 85 5.087 -6.250 6.276 1.00 0.00 O ATOM 1372 CB VAL A 85 2.476 -5.833 7.655 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.700 -6.987 8.621 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.202 -5.078 8.000 1.00 0.00 C ATOM 0 H VAL A 85 3.590 -4.068 5.733 1.00 0.00 H new ATOM 0 HA VAL A 85 3.775 -4.427 8.650 1.00 0.00 H new ATOM 0 HB VAL A 85 2.366 -6.246 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.835 -7.650 8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.590 -7.542 8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.836 -6.596 9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.357 -5.766 7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.298 -4.636 8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.036 -4.289 7.266 1.00 0.00 H new ATOM 1384 N ILE A 86 5.868 -5.709 8.317 1.00 0.00 N ATOM 1385 CA ILE A 86 7.120 -6.438 8.151 1.00 0.00 C ATOM 1386 C ILE A 86 6.869 -7.850 7.634 1.00 0.00 C ATOM 1387 O ILE A 86 6.370 -8.709 8.360 1.00 0.00 O ATOM 1388 CB ILE A 86 7.903 -6.519 9.474 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.226 -5.115 9.988 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.179 -7.326 9.285 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.055 -4.295 9.025 1.00 0.00 C ATOM 0 H ILE A 86 5.769 -5.239 9.217 1.00 0.00 H new ATOM 0 HA ILE A 86 7.712 -5.887 7.421 1.00 0.00 H new ATOM 0 HB ILE A 86 7.283 -7.023 10.216 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.294 -4.588 10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.759 -5.197 10.935 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.722 -7.375 10.229 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.926 -8.335 8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.804 -6.847 8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.246 -3.312 9.455 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.003 -4.800 8.840 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.515 -4.181 8.085 1.00 0.00 H new