USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 758 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 66 SER OG : rot 112:sc= 0.0928 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.0021 USER MOD Set 2.1: A 32 GLN : amide:sc= -0.0737 X(o=-3.8,f=-4) USER MOD Set 2.2: A 58 SER OG : rot -95:sc= 1.15 USER MOD Set 2.3: A 67 HIS : no HD1:sc= -4.85! C(o=-3.8!,f=-15!) USER MOD Set 3.1: A 38 GLN : amide:sc= -0.681 X(o=-1.9,f=-1.4) USER MOD Set 3.2: A 42 MET CE :methyl -142:sc= -1.18 (180deg=-1.02) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -31:sc= 0.31 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.759 K(o=-0.76,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.0157 K(o=-0.016,f=-0.66) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 92:sc= 0.417 USER MOD Single : A 62 ASN : amide:sc= -5! K(o=-5!,f=-2) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.756 K(o=-0.76,f=-1.7) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.72) USER MOD Single : A 87 HIS : no HD1:sc= -9.42! C(o=-9.4!,f=-12!) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0476) USER MOD Single : A 98 HIS : no HD1:sc= -2.52! K(o=-2.5!,f=-0.95) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -29:sc= 0.397 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0425 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.477 12.650 -4.160 1.00 0.00 N ATOM 106 CA ALA A 11 -4.327 11.212 -4.347 1.00 0.00 C ATOM 107 C ALA A 11 -4.925 10.766 -5.677 1.00 0.00 C ATOM 108 O ALA A 11 -6.137 10.589 -5.796 1.00 0.00 O ATOM 109 CB ALA A 11 -4.978 10.460 -3.195 1.00 0.00 C ATOM 0 HA ALA A 11 -3.262 10.981 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.859 9.387 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.503 10.749 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.039 10.705 -3.154 1.00 0.00 H new ATOM 115 N ARG A 12 -4.066 10.587 -6.676 1.00 0.00 N ATOM 116 CA ARG A 12 -4.510 10.164 -7.998 1.00 0.00 C ATOM 117 C ARG A 12 -3.696 8.970 -8.489 1.00 0.00 C ATOM 118 O ARG A 12 -2.563 9.123 -8.945 1.00 0.00 O ATOM 119 CB ARG A 12 -4.391 11.319 -8.994 1.00 0.00 C ATOM 120 CG ARG A 12 -5.373 11.230 -10.151 1.00 0.00 C ATOM 121 CD ARG A 12 -4.846 10.334 -11.261 1.00 0.00 C ATOM 122 NE ARG A 12 -3.831 11.004 -12.070 1.00 0.00 N ATOM 123 CZ ARG A 12 -4.112 11.910 -12.999 1.00 0.00 C ATOM 124 NH1 ARG A 12 -5.371 12.253 -13.236 1.00 0.00 N ATOM 125 NH2 ARG A 12 -3.133 12.475 -13.694 1.00 0.00 N ATOM 0 H ARG A 12 -3.059 10.728 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.555 9.864 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.548 12.260 -8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.376 11.342 -9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.327 10.843 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.563 12.228 -10.546 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.423 9.429 -10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.673 10.024 -11.900 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.853 10.763 -11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.126 11.821 -12.704 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.584 12.949 -13.950 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.164 12.213 -13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.350 13.171 -14.407 1.00 0.00 H new ATOM 139 N PHE A 13 -4.281 7.781 -8.390 1.00 0.00 N ATOM 140 CA PHE A 13 -3.610 6.560 -8.822 1.00 0.00 C ATOM 141 C PHE A 13 -4.595 5.397 -8.903 1.00 0.00 C ATOM 142 O PHE A 13 -5.725 5.492 -8.423 1.00 0.00 O ATOM 143 CB PHE A 13 -2.471 6.212 -7.863 1.00 0.00 C ATOM 144 CG PHE A 13 -2.939 5.853 -6.481 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.313 6.839 -5.583 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.005 4.528 -6.081 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.743 6.511 -4.312 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.435 4.193 -4.811 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.806 5.186 -3.925 1.00 0.00 C ATOM 0 H PHE A 13 -5.218 7.637 -8.014 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.198 6.734 -9.816 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.903 5.377 -8.274 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.789 7.060 -7.798 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.268 7.876 -5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.717 3.748 -6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.030 7.290 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.481 3.156 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.144 4.927 -2.933 1.00 0.00 H new ATOM 159 N ASP A 14 -4.158 4.301 -9.513 1.00 0.00 N ATOM 160 CA ASP A 14 -5.000 3.119 -9.656 1.00 0.00 C ATOM 161 C ASP A 14 -4.658 2.077 -8.596 1.00 0.00 C ATOM 162 O ASP A 14 -3.624 1.413 -8.673 1.00 0.00 O ATOM 163 CB ASP A 14 -4.836 2.516 -11.053 1.00 0.00 C ATOM 164 CG ASP A 14 -5.340 3.439 -12.144 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.421 4.038 -11.962 1.00 0.00 O ATOM 166 OD2 ASP A 14 -4.656 3.562 -13.182 1.00 0.00 O ATOM 0 H ASP A 14 -3.226 4.206 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.038 3.423 -9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.784 2.292 -11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.376 1.570 -11.103 1.00 0.00 H new ATOM 171 N SER A 15 -5.534 1.939 -7.605 1.00 0.00 N ATOM 172 CA SER A 15 -5.323 0.981 -6.526 1.00 0.00 C ATOM 173 C SER A 15 -5.328 -0.448 -7.060 1.00 0.00 C ATOM 174 O SER A 15 -4.600 -1.309 -6.565 1.00 0.00 O ATOM 175 CB SER A 15 -6.403 1.142 -5.455 1.00 0.00 C ATOM 176 OG SER A 15 -7.699 1.056 -6.021 1.00 0.00 O ATOM 0 H SER A 15 -6.396 2.478 -7.527 1.00 0.00 H new ATOM 0 HA SER A 15 -4.348 1.180 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.283 0.371 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.284 2.104 -4.956 1.00 0.00 H new ATOM 0 HG SER A 15 -8.372 1.160 -5.316 1.00 0.00 H new ATOM 182 N SER A 16 -6.154 -0.692 -8.072 1.00 0.00 N ATOM 183 CA SER A 16 -6.258 -2.017 -8.671 1.00 0.00 C ATOM 184 C SER A 16 -5.016 -2.339 -9.497 1.00 0.00 C ATOM 185 O SER A 16 -4.558 -3.482 -9.530 1.00 0.00 O ATOM 186 CB SER A 16 -7.506 -2.106 -9.552 1.00 0.00 C ATOM 187 OG SER A 16 -7.427 -1.201 -10.640 1.00 0.00 O ATOM 0 H SER A 16 -6.761 0.011 -8.494 1.00 0.00 H new ATOM 0 HA SER A 16 -6.338 -2.747 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.618 -3.123 -9.928 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.392 -1.887 -8.956 1.00 0.00 H new ATOM 0 HG SER A 16 -8.235 -1.278 -11.189 1.00 0.00 H new ATOM 193 N ASP A 17 -4.475 -1.324 -10.160 1.00 0.00 N ATOM 194 CA ASP A 17 -3.285 -1.497 -10.985 1.00 0.00 C ATOM 195 C ASP A 17 -2.061 -1.786 -10.121 1.00 0.00 C ATOM 196 O ASP A 17 -1.437 -0.871 -9.585 1.00 0.00 O ATOM 197 CB ASP A 17 -3.040 -0.248 -11.834 1.00 0.00 C ATOM 198 CG ASP A 17 -2.077 -0.503 -12.976 1.00 0.00 C ATOM 199 OD1 ASP A 17 -2.345 -1.417 -13.784 1.00 0.00 O ATOM 200 OD2 ASP A 17 -1.056 0.210 -13.063 1.00 0.00 O ATOM 0 H ASP A 17 -4.841 -0.372 -10.143 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.452 -2.349 -11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.989 0.106 -12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.645 0.546 -11.201 1.00 0.00 H new ATOM 205 N ARG A 18 -1.727 -3.066 -9.988 1.00 0.00 N ATOM 206 CA ARG A 18 -0.580 -3.476 -9.187 1.00 0.00 C ATOM 207 C ARG A 18 0.724 -2.998 -9.819 1.00 0.00 C ATOM 208 O ARG A 18 1.655 -2.600 -9.119 1.00 0.00 O ATOM 209 CB ARG A 18 -0.557 -4.998 -9.033 1.00 0.00 C ATOM 210 CG ARG A 18 -1.344 -5.500 -7.833 1.00 0.00 C ATOM 211 CD ARG A 18 -1.923 -6.883 -8.087 1.00 0.00 C ATOM 212 NE ARG A 18 -3.119 -6.831 -8.924 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.052 -7.776 -8.931 1.00 0.00 C ATOM 214 NH1 ARG A 18 -3.930 -8.840 -8.150 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.112 -7.656 -9.721 1.00 0.00 N ATOM 0 H ARG A 18 -2.234 -3.836 -10.424 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.675 -3.019 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.961 -5.453 -9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.477 -5.330 -8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.695 -5.531 -6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.150 -4.802 -7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.171 -7.508 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.167 -7.354 -7.135 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.244 -6.025 -9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.117 -8.935 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.649 -9.564 -8.158 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.210 -6.838 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.829 -8.382 -9.727 1.00 0.00 H new ATOM 229 N SER A 19 0.783 -3.041 -11.146 1.00 0.00 N ATOM 230 CA SER A 19 1.974 -2.617 -11.872 1.00 0.00 C ATOM 231 C SER A 19 2.218 -1.122 -11.690 1.00 0.00 C ATOM 232 O SER A 19 3.216 -0.582 -12.167 1.00 0.00 O ATOM 233 CB SER A 19 1.834 -2.945 -13.360 1.00 0.00 C ATOM 234 OG SER A 19 3.059 -2.745 -14.044 1.00 0.00 O ATOM 0 H SER A 19 0.020 -3.365 -11.740 1.00 0.00 H new ATOM 0 HA SER A 19 2.828 -3.159 -11.467 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.512 -3.980 -13.479 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.060 -2.318 -13.803 1.00 0.00 H new ATOM 0 HG SER A 19 3.560 -2.021 -13.613 1.00 0.00 H new ATOM 240 N ALA A 20 1.298 -0.459 -10.997 1.00 0.00 N ATOM 241 CA ALA A 20 1.413 0.973 -10.750 1.00 0.00 C ATOM 242 C ALA A 20 1.915 1.247 -9.336 1.00 0.00 C ATOM 243 O ALA A 20 2.548 2.271 -9.080 1.00 0.00 O ATOM 244 CB ALA A 20 0.073 1.657 -10.978 1.00 0.00 C ATOM 0 H ALA A 20 0.465 -0.891 -10.597 1.00 0.00 H new ATOM 0 HA ALA A 20 2.141 1.381 -11.452 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.173 2.726 -10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.246 1.498 -12.008 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.670 1.238 -10.299 1.00 0.00 H new ATOM 250 N TRP A 21 1.627 0.327 -8.422 1.00 0.00 N ATOM 251 CA TRP A 21 2.049 0.471 -7.034 1.00 0.00 C ATOM 252 C TRP A 21 2.765 -0.784 -6.549 1.00 0.00 C ATOM 253 O TRP A 21 3.822 -0.705 -5.923 1.00 0.00 O ATOM 254 CB TRP A 21 0.842 0.762 -6.140 1.00 0.00 C ATOM 255 CG TRP A 21 -0.306 -0.173 -6.370 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.383 0.037 -7.185 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.494 -1.462 -5.778 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.228 -1.045 -7.134 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.705 -1.979 -6.279 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.244 -2.232 -4.875 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.192 -3.228 -5.905 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.241 -3.472 -4.505 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.449 -3.961 -5.020 1.00 0.00 C ATOM 0 H TRP A 21 1.103 -0.526 -8.617 1.00 0.00 H new ATOM 0 HA TRP A 21 2.745 1.308 -6.977 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.149 0.699 -5.096 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.508 1.785 -6.314 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.546 0.923 -7.781 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.103 -1.138 -7.649 1.00 0.00 H new ATOM 0 HE3 TRP A 21 1.177 -1.865 -4.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.124 -3.606 -6.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.321 -4.075 -3.807 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.800 -4.935 -4.713 1.00 0.00 H new ATOM 274 N TYR A 22 2.184 -1.942 -6.843 1.00 0.00 N ATOM 275 CA TYR A 22 2.767 -3.215 -6.435 1.00 0.00 C ATOM 276 C TYR A 22 4.210 -3.332 -6.915 1.00 0.00 C ATOM 277 O TYR A 22 4.470 -3.440 -8.113 1.00 0.00 O ATOM 278 CB TYR A 22 1.939 -4.378 -6.984 1.00 0.00 C ATOM 279 CG TYR A 22 2.287 -5.714 -6.368 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.435 -5.850 -4.993 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.469 -6.841 -7.160 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.754 -7.068 -4.426 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.787 -8.063 -6.602 1.00 0.00 C ATOM 284 CZ TYR A 22 2.929 -8.172 -5.234 1.00 0.00 C ATOM 285 OH TYR A 22 3.246 -9.388 -4.673 1.00 0.00 O ATOM 0 H TYR A 22 1.310 -2.025 -7.362 1.00 0.00 H new ATOM 0 HA TYR A 22 2.761 -3.256 -5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.882 -4.173 -6.813 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.082 -4.437 -8.063 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.298 -4.988 -4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.360 -6.760 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.866 -7.156 -3.355 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.924 -8.929 -7.233 1.00 0.00 H new ATOM 0 HH TYR A 22 3.333 -10.061 -5.380 1.00 0.00 H new ATOM 295 N MET A 23 5.144 -3.311 -5.970 1.00 0.00 N ATOM 296 CA MET A 23 6.562 -3.416 -6.296 1.00 0.00 C ATOM 297 C MET A 23 7.018 -4.872 -6.270 1.00 0.00 C ATOM 298 O MET A 23 8.129 -5.191 -6.693 1.00 0.00 O ATOM 299 CB MET A 23 7.395 -2.591 -5.314 1.00 0.00 C ATOM 300 CG MET A 23 6.998 -1.125 -5.261 1.00 0.00 C ATOM 301 SD MET A 23 7.878 -0.123 -6.475 1.00 0.00 S ATOM 302 CE MET A 23 6.547 0.903 -7.096 1.00 0.00 C ATOM 0 H MET A 23 4.945 -3.222 -4.973 1.00 0.00 H new ATOM 0 HA MET A 23 6.709 -3.025 -7.303 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.298 -3.021 -4.317 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.447 -2.664 -5.592 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.925 -1.037 -5.432 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.195 -0.735 -4.262 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.934 1.579 -7.858 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.773 0.271 -7.531 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.123 1.484 -6.277 1.00 0.00 H new ATOM 312 N GLY A 24 6.154 -5.750 -5.771 1.00 0.00 N ATOM 313 CA GLY A 24 6.488 -7.161 -5.700 1.00 0.00 C ATOM 314 C GLY A 24 7.977 -7.397 -5.543 1.00 0.00 C ATOM 315 O GLY A 24 8.508 -7.435 -4.433 1.00 0.00 O ATOM 0 H GLY A 24 5.229 -5.510 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.961 -7.614 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.137 -7.660 -6.603 1.00 0.00 H new ATOM 319 N PRO A 25 8.675 -7.563 -6.676 1.00 0.00 N ATOM 320 CA PRO A 25 10.122 -7.802 -6.686 1.00 0.00 C ATOM 321 C PRO A 25 10.915 -6.571 -6.262 1.00 0.00 C ATOM 322 O PRO A 25 11.457 -5.850 -7.100 1.00 0.00 O ATOM 323 CB PRO A 25 10.414 -8.149 -8.148 1.00 0.00 C ATOM 324 CG PRO A 25 9.322 -7.490 -8.919 1.00 0.00 C ATOM 325 CD PRO A 25 8.107 -7.531 -8.034 1.00 0.00 C ATOM 0 HA PRO A 25 10.411 -8.583 -5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.393 -7.781 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.415 -9.227 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.587 -6.463 -9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.138 -8.011 -9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.472 -6.658 -8.183 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.494 -8.410 -8.234 1.00 0.00 H new ATOM 333 N VAL A 26 10.980 -6.335 -4.956 1.00 0.00 N ATOM 334 CA VAL A 26 11.709 -5.192 -4.420 1.00 0.00 C ATOM 335 C VAL A 26 12.210 -5.472 -3.008 1.00 0.00 C ATOM 336 O VAL A 26 11.515 -6.092 -2.203 1.00 0.00 O ATOM 337 CB VAL A 26 10.832 -3.926 -4.401 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.419 -2.884 -3.461 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.678 -3.363 -5.805 1.00 0.00 C ATOM 0 H VAL A 26 10.536 -6.921 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 26 12.562 -5.024 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 26 9.842 -4.196 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.786 -1.997 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.471 -3.293 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.421 -2.615 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.055 -2.469 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.660 -3.107 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.209 -4.109 -6.447 1.00 0.00 H new ATOM 349 N SER A 27 13.421 -5.010 -2.712 1.00 0.00 N ATOM 350 CA SER A 27 14.017 -5.213 -1.397 1.00 0.00 C ATOM 351 C SER A 27 13.909 -3.948 -0.550 1.00 0.00 C ATOM 352 O SER A 27 13.882 -2.836 -1.077 1.00 0.00 O ATOM 353 CB SER A 27 15.484 -5.623 -1.537 1.00 0.00 C ATOM 354 OG SER A 27 15.598 -6.948 -2.026 1.00 0.00 O ATOM 0 H SER A 27 14.009 -4.492 -3.366 1.00 0.00 H new ATOM 0 HA SER A 27 13.470 -6.012 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.994 -4.937 -2.214 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.981 -5.545 -0.570 1.00 0.00 H new ATOM 0 HG SER A 27 16.545 -7.186 -2.108 1.00 0.00 H new ATOM 360 N ARG A 28 13.847 -4.128 0.765 1.00 0.00 N ATOM 361 CA ARG A 28 13.741 -3.003 1.686 1.00 0.00 C ATOM 362 C ARG A 28 14.703 -1.886 1.293 1.00 0.00 C ATOM 363 O ARG A 28 14.286 -0.760 1.024 1.00 0.00 O ATOM 364 CB ARG A 28 14.028 -3.459 3.117 1.00 0.00 C ATOM 365 CG ARG A 28 13.630 -2.440 4.172 1.00 0.00 C ATOM 366 CD ARG A 28 12.194 -2.642 4.628 1.00 0.00 C ATOM 367 NE ARG A 28 11.953 -2.069 5.950 1.00 0.00 N ATOM 368 CZ ARG A 28 10.909 -2.385 6.709 1.00 0.00 C ATOM 369 NH1 ARG A 28 10.016 -3.265 6.280 1.00 0.00 N ATOM 370 NH2 ARG A 28 10.759 -1.821 7.900 1.00 0.00 N ATOM 0 H ARG A 28 13.868 -5.042 1.217 1.00 0.00 H new ATOM 0 HA ARG A 28 12.723 -2.617 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.496 -4.392 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.092 -3.674 3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.300 -2.521 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.747 -1.434 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.517 -2.185 3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.967 -3.708 4.648 1.00 0.00 H new ATOM 0 HE ARG A 28 12.623 -1.389 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.129 -3.702 5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.216 -3.506 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.445 -1.144 8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.957 -2.064 8.482 1.00 0.00 H new ATOM 384 N GLN A 29 15.993 -2.207 1.262 1.00 0.00 N ATOM 385 CA GLN A 29 17.015 -1.230 0.904 1.00 0.00 C ATOM 386 C GLN A 29 16.569 -0.390 -0.288 1.00 0.00 C ATOM 387 O GLN A 29 16.748 0.828 -0.301 1.00 0.00 O ATOM 388 CB GLN A 29 18.333 -1.935 0.581 1.00 0.00 C ATOM 389 CG GLN A 29 18.190 -3.058 -0.434 1.00 0.00 C ATOM 390 CD GLN A 29 19.528 -3.600 -0.897 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.384 -2.851 -1.369 1.00 0.00 O ATOM 392 NE2 GLN A 29 19.716 -4.908 -0.765 1.00 0.00 N ATOM 0 H GLN A 29 16.355 -3.135 1.480 1.00 0.00 H new ATOM 0 HA GLN A 29 17.165 -0.568 1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.044 -1.201 0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.754 -2.340 1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.607 -3.867 0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.632 -2.694 -1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.979 -5.492 -0.369 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.597 -5.329 -1.060 1.00 0.00 H new ATOM 401 N GLU A 30 15.989 -1.048 -1.287 1.00 0.00 N ATOM 402 CA GLU A 30 15.520 -0.360 -2.484 1.00 0.00 C ATOM 403 C GLU A 30 14.263 0.453 -2.186 1.00 0.00 C ATOM 404 O GLU A 30 14.275 1.682 -2.256 1.00 0.00 O ATOM 405 CB GLU A 30 15.237 -1.367 -3.600 1.00 0.00 C ATOM 406 CG GLU A 30 15.189 -0.743 -4.985 1.00 0.00 C ATOM 407 CD GLU A 30 15.511 -1.737 -6.084 1.00 0.00 C ATOM 408 OE1 GLU A 30 16.710 -1.977 -6.335 1.00 0.00 O ATOM 409 OE2 GLU A 30 14.563 -2.276 -6.693 1.00 0.00 O ATOM 0 H GLU A 30 15.833 -2.056 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 30 16.304 0.322 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.006 -2.139 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.286 -1.861 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.197 -0.325 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.896 0.085 -5.031 1.00 0.00 H new ATOM 416 N ALA A 31 13.180 -0.242 -1.855 1.00 0.00 N ATOM 417 CA ALA A 31 11.916 0.414 -1.545 1.00 0.00 C ATOM 418 C ALA A 31 12.147 1.747 -0.842 1.00 0.00 C ATOM 419 O ALA A 31 11.468 2.734 -1.125 1.00 0.00 O ATOM 420 CB ALA A 31 11.047 -0.493 -0.687 1.00 0.00 C ATOM 0 H ALA A 31 13.153 -1.260 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 31 11.399 0.613 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.106 0.010 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.844 -1.419 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.567 -0.721 0.244 1.00 0.00 H new ATOM 426 N GLN A 32 13.109 1.769 0.075 1.00 0.00 N ATOM 427 CA GLN A 32 13.428 2.981 0.819 1.00 0.00 C ATOM 428 C GLN A 32 14.003 4.051 -0.104 1.00 0.00 C ATOM 429 O GLN A 32 13.496 5.171 -0.166 1.00 0.00 O ATOM 430 CB GLN A 32 14.420 2.671 1.941 1.00 0.00 C ATOM 431 CG GLN A 32 13.763 2.146 3.207 1.00 0.00 C ATOM 432 CD GLN A 32 14.541 2.499 4.459 1.00 0.00 C ATOM 433 OE1 GLN A 32 13.986 2.544 5.557 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.835 2.753 4.300 1.00 0.00 N ATOM 0 H GLN A 32 13.681 0.961 0.320 1.00 0.00 H new ATOM 0 HA GLN A 32 12.505 3.362 1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.141 1.936 1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 32 14.979 3.576 2.180 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.755 2.553 3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.665 1.063 3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.254 2.704 3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.410 2.997 5.107 1.00 0.00 H new ATOM 443 N THR A 33 15.067 3.698 -0.819 1.00 0.00 N ATOM 444 CA THR A 33 15.713 4.628 -1.737 1.00 0.00 C ATOM 445 C THR A 33 14.697 5.268 -2.676 1.00 0.00 C ATOM 446 O THR A 33 14.942 6.337 -3.235 1.00 0.00 O ATOM 447 CB THR A 33 16.798 3.926 -2.576 1.00 0.00 C ATOM 448 OG1 THR A 33 17.772 4.880 -3.013 1.00 0.00 O ATOM 449 CG2 THR A 33 16.185 3.230 -3.781 1.00 0.00 C ATOM 0 H THR A 33 15.499 2.775 -0.780 1.00 0.00 H new ATOM 0 HA THR A 33 16.179 5.402 -1.127 1.00 0.00 H new ATOM 0 HB THR A 33 17.281 3.175 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.459 4.426 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.971 2.742 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.466 2.484 -3.443 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.679 3.965 -4.407 1.00 0.00 H new ATOM 457 N ARG A 34 13.555 4.609 -2.843 1.00 0.00 N ATOM 458 CA ARG A 34 12.501 5.115 -3.715 1.00 0.00 C ATOM 459 C ARG A 34 11.626 6.126 -2.980 1.00 0.00 C ATOM 460 O ARG A 34 11.101 7.064 -3.582 1.00 0.00 O ATOM 461 CB ARG A 34 11.641 3.962 -4.234 1.00 0.00 C ATOM 462 CG ARG A 34 12.442 2.724 -4.604 1.00 0.00 C ATOM 463 CD ARG A 34 11.759 1.928 -5.705 1.00 0.00 C ATOM 464 NE ARG A 34 12.125 2.409 -7.035 1.00 0.00 N ATOM 465 CZ ARG A 34 11.403 2.175 -8.125 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.282 1.470 -8.044 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.801 2.646 -9.300 1.00 0.00 N ATOM 0 H ARG A 34 13.336 3.724 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 34 12.973 5.616 -4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.907 3.696 -3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.085 4.300 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.439 3.019 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.569 2.094 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.029 0.876 -5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.678 1.992 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 34 12.982 2.954 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.972 1.106 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.730 1.292 -8.883 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.662 3.188 -9.367 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.246 2.466 -10.136 1.00 0.00 H new ATOM 481 N LEU A 35 11.472 5.929 -1.675 1.00 0.00 N ATOM 482 CA LEU A 35 10.660 6.823 -0.857 1.00 0.00 C ATOM 483 C LEU A 35 11.523 7.568 0.157 1.00 0.00 C ATOM 484 O LEU A 35 11.009 8.167 1.101 1.00 0.00 O ATOM 485 CB LEU A 35 9.569 6.032 -0.132 1.00 0.00 C ATOM 486 CG LEU A 35 8.925 4.895 -0.925 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.175 3.954 0.004 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.992 5.450 -1.992 1.00 0.00 C ATOM 0 H LEU A 35 11.899 5.158 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 35 10.193 7.555 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.996 5.615 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.785 6.726 0.171 1.00 0.00 H new ATOM 0 HG LEU A 35 9.715 4.330 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.723 3.151 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.869 3.530 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.394 4.506 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.543 4.626 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.207 6.039 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.557 6.082 -2.676 1.00 0.00 H new ATOM 500 N GLN A 36 12.835 7.527 -0.048 1.00 0.00 N ATOM 501 CA GLN A 36 13.769 8.200 0.848 1.00 0.00 C ATOM 502 C GLN A 36 14.022 9.634 0.393 1.00 0.00 C ATOM 503 O GLN A 36 14.728 9.869 -0.587 1.00 0.00 O ATOM 504 CB GLN A 36 15.090 7.432 0.912 1.00 0.00 C ATOM 505 CG GLN A 36 16.216 8.212 1.572 1.00 0.00 C ATOM 506 CD GLN A 36 16.129 8.195 3.085 1.00 0.00 C ATOM 507 OE1 GLN A 36 16.979 7.613 3.760 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.100 8.834 3.627 1.00 0.00 N ATOM 0 H GLN A 36 13.276 7.036 -0.826 1.00 0.00 H new ATOM 0 HA GLN A 36 13.324 8.227 1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.934 6.502 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.392 7.160 -0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.173 7.793 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.192 9.244 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.419 9.303 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.990 8.856 4.641 1.00 0.00 H new ATOM 517 N GLY A 37 13.440 10.589 1.112 1.00 0.00 N ATOM 518 CA GLY A 37 13.614 11.988 0.766 1.00 0.00 C ATOM 519 C GLY A 37 12.522 12.498 -0.153 1.00 0.00 C ATOM 520 O GLY A 37 12.347 13.707 -0.306 1.00 0.00 O ATOM 0 H GLY A 37 12.851 10.419 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.626 12.586 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.582 12.122 0.284 1.00 0.00 H new ATOM 524 N GLN A 38 11.789 11.576 -0.767 1.00 0.00 N ATOM 525 CA GLN A 38 10.710 11.940 -1.678 1.00 0.00 C ATOM 526 C GLN A 38 9.642 12.757 -0.958 1.00 0.00 C ATOM 527 O GLN A 38 9.656 12.872 0.268 1.00 0.00 O ATOM 528 CB GLN A 38 10.083 10.686 -2.289 1.00 0.00 C ATOM 529 CG GLN A 38 10.930 10.052 -3.381 1.00 0.00 C ATOM 530 CD GLN A 38 11.428 11.065 -4.394 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.567 11.525 -4.321 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.574 11.417 -5.348 1.00 0.00 N ATOM 0 H GLN A 38 11.922 10.571 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 38 11.133 12.551 -2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.914 9.953 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.107 10.942 -2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.783 9.548 -2.927 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.344 9.289 -3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.639 11.010 -5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.853 12.094 -6.058 1.00 0.00 H new ATOM 541 N ARG A 39 8.718 13.323 -1.727 1.00 0.00 N ATOM 542 CA ARG A 39 7.644 14.131 -1.162 1.00 0.00 C ATOM 543 C ARG A 39 6.672 13.264 -0.367 1.00 0.00 C ATOM 544 O ARG A 39 6.226 12.218 -0.841 1.00 0.00 O ATOM 545 CB ARG A 39 6.894 14.869 -2.273 1.00 0.00 C ATOM 546 CG ARG A 39 6.377 13.954 -3.371 1.00 0.00 C ATOM 547 CD ARG A 39 5.195 14.572 -4.101 1.00 0.00 C ATOM 548 NE ARG A 39 5.588 15.738 -4.889 1.00 0.00 N ATOM 549 CZ ARG A 39 6.162 15.659 -6.084 1.00 0.00 C ATOM 550 NH1 ARG A 39 6.408 14.475 -6.627 1.00 0.00 N ATOM 551 NH2 ARG A 39 6.490 16.765 -6.739 1.00 0.00 N ATOM 0 H ARG A 39 8.691 13.237 -2.743 1.00 0.00 H new ATOM 0 HA ARG A 39 8.089 14.861 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.054 15.409 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.556 15.614 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.178 13.748 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.080 12.998 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.744 13.827 -4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.434 14.863 -3.377 1.00 0.00 H new ATOM 0 HE ARG A 39 5.412 16.664 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.156 13.622 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.849 14.417 -7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.301 17.678 -6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.931 16.702 -7.657 1.00 0.00 H new ATOM 565 N HIS A 40 6.348 13.705 0.844 1.00 0.00 N ATOM 566 CA HIS A 40 5.429 12.970 1.705 1.00 0.00 C ATOM 567 C HIS A 40 4.189 12.534 0.931 1.00 0.00 C ATOM 568 O HIS A 40 3.596 13.322 0.195 1.00 0.00 O ATOM 569 CB HIS A 40 5.021 13.828 2.903 1.00 0.00 C ATOM 570 CG HIS A 40 6.153 14.135 3.834 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.120 15.170 4.744 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.356 13.533 3.994 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.254 15.193 5.422 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.021 14.210 4.987 1.00 0.00 N ATOM 0 H HIS A 40 6.708 14.568 1.251 1.00 0.00 H new ATOM 0 HA HIS A 40 5.943 12.079 2.065 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.595 14.764 2.541 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.235 13.314 3.457 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.342 15.817 4.874 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.724 12.680 3.443 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.510 15.897 6.200 1.00 0.00 H new ATOM 583 N GLY A 41 3.803 11.273 1.101 1.00 0.00 N ATOM 584 CA GLY A 41 2.637 10.754 0.410 1.00 0.00 C ATOM 585 C GLY A 41 2.945 9.505 -0.391 1.00 0.00 C ATOM 586 O GLY A 41 2.173 8.547 -0.381 1.00 0.00 O ATOM 0 H GLY A 41 4.277 10.602 1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.857 10.532 1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.242 11.521 -0.256 1.00 0.00 H new ATOM 590 N MET A 42 4.077 9.515 -1.088 1.00 0.00 N ATOM 591 CA MET A 42 4.484 8.373 -1.899 1.00 0.00 C ATOM 592 C MET A 42 4.305 7.068 -1.129 1.00 0.00 C ATOM 593 O MET A 42 4.583 7.000 0.068 1.00 0.00 O ATOM 594 CB MET A 42 5.943 8.526 -2.335 1.00 0.00 C ATOM 595 CG MET A 42 6.291 7.724 -3.579 1.00 0.00 C ATOM 596 SD MET A 42 7.819 8.282 -4.359 1.00 0.00 S ATOM 597 CE MET A 42 7.352 9.932 -4.876 1.00 0.00 C ATOM 0 H MET A 42 4.728 10.300 -1.107 1.00 0.00 H new ATOM 0 HA MET A 42 3.849 8.342 -2.784 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.150 9.580 -2.522 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.593 8.214 -1.517 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.387 6.671 -3.313 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.473 7.799 -4.296 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.797 10.149 -5.847 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.267 9.996 -4.952 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.708 10.657 -4.144 1.00 0.00 H new ATOM 607 N PHE A 43 3.840 6.036 -1.824 1.00 0.00 N ATOM 608 CA PHE A 43 3.623 4.733 -1.205 1.00 0.00 C ATOM 609 C PHE A 43 3.942 3.606 -2.183 1.00 0.00 C ATOM 610 O PHE A 43 4.171 3.845 -3.370 1.00 0.00 O ATOM 611 CB PHE A 43 2.176 4.610 -0.721 1.00 0.00 C ATOM 612 CG PHE A 43 1.217 4.195 -1.800 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.037 2.856 -2.109 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.495 5.144 -2.505 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.155 2.473 -3.101 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.389 4.766 -3.499 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.559 3.429 -3.797 1.00 0.00 C ATOM 0 H PHE A 43 3.606 6.076 -2.816 1.00 0.00 H new ATOM 0 HA PHE A 43 4.294 4.648 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.133 3.884 0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.856 5.567 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.592 2.104 -1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.624 6.191 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.024 1.426 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.946 5.516 -4.041 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.249 3.131 -4.573 1.00 0.00 H new ATOM 627 N LEU A 44 3.957 2.378 -1.677 1.00 0.00 N ATOM 628 CA LEU A 44 4.248 1.213 -2.505 1.00 0.00 C ATOM 629 C LEU A 44 4.085 -0.076 -1.706 1.00 0.00 C ATOM 630 O LEU A 44 4.318 -0.105 -0.498 1.00 0.00 O ATOM 631 CB LEU A 44 5.669 1.303 -3.065 1.00 0.00 C ATOM 632 CG LEU A 44 6.801 1.092 -2.059 1.00 0.00 C ATOM 633 CD1 LEU A 44 6.928 -0.380 -1.699 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.115 1.622 -2.616 1.00 0.00 C ATOM 0 H LEU A 44 3.771 2.163 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 44 3.538 1.199 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.773 0.563 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.796 2.283 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 44 6.563 1.647 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.739 -0.511 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.994 -0.729 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.142 -0.957 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.910 1.464 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.358 1.094 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.019 2.688 -2.822 1.00 0.00 H new ATOM 646 N VAL A 45 3.685 -1.143 -2.391 1.00 0.00 N ATOM 647 CA VAL A 45 3.494 -2.437 -1.747 1.00 0.00 C ATOM 648 C VAL A 45 4.447 -3.481 -2.317 1.00 0.00 C ATOM 649 O VAL A 45 4.319 -3.890 -3.471 1.00 0.00 O ATOM 650 CB VAL A 45 2.046 -2.937 -1.909 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.839 -4.234 -1.143 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.061 -1.873 -1.449 1.00 0.00 C ATOM 0 H VAL A 45 3.487 -1.137 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 45 3.705 -2.297 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 45 1.865 -3.135 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.810 -4.571 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.520 -4.995 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.038 -4.067 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.043 -2.243 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.240 -1.641 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.193 -0.972 -2.047 1.00 0.00 H new ATOM 662 N ARG A 46 5.404 -3.910 -1.500 1.00 0.00 N ATOM 663 CA ARG A 46 6.381 -4.906 -1.923 1.00 0.00 C ATOM 664 C ARG A 46 6.236 -6.189 -1.110 1.00 0.00 C ATOM 665 O ARG A 46 5.533 -6.219 -0.099 1.00 0.00 O ATOM 666 CB ARG A 46 7.800 -4.355 -1.777 1.00 0.00 C ATOM 667 CG ARG A 46 7.979 -3.446 -0.571 1.00 0.00 C ATOM 668 CD ARG A 46 9.449 -3.178 -0.290 1.00 0.00 C ATOM 669 NE ARG A 46 10.008 -4.133 0.662 1.00 0.00 N ATOM 670 CZ ARG A 46 9.997 -3.951 1.978 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.458 -2.856 2.495 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.525 -4.867 2.781 1.00 0.00 N ATOM 0 H ARG A 46 5.523 -3.583 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 46 6.195 -5.137 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.498 -5.188 -1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.061 -3.803 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.463 -2.502 -0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.518 -3.905 0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.011 -3.225 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.565 -2.167 0.101 1.00 0.00 H new ATOM 0 HE ARG A 46 10.430 -4.987 0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.050 -2.150 1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.451 -2.719 3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.940 -5.712 2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.516 -4.726 3.791 1.00 0.00 H new ATOM 686 N ASP A 47 6.904 -7.246 -1.558 1.00 0.00 N ATOM 687 CA ASP A 47 6.850 -8.532 -0.872 1.00 0.00 C ATOM 688 C ASP A 47 7.453 -8.427 0.526 1.00 0.00 C ATOM 689 O ASP A 47 8.548 -7.893 0.703 1.00 0.00 O ATOM 690 CB ASP A 47 7.591 -9.597 -1.681 1.00 0.00 C ATOM 691 CG ASP A 47 7.216 -11.006 -1.264 1.00 0.00 C ATOM 692 OD1 ASP A 47 7.784 -11.500 -0.267 1.00 0.00 O ATOM 693 OD2 ASP A 47 6.356 -11.613 -1.934 1.00 0.00 O ATOM 0 H ASP A 47 7.489 -7.238 -2.393 1.00 0.00 H new ATOM 0 HA ASP A 47 5.804 -8.822 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.370 -9.464 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.665 -9.459 -1.560 1.00 0.00 H new ATOM 698 N SER A 48 6.729 -8.940 1.517 1.00 0.00 N ATOM 699 CA SER A 48 7.190 -8.900 2.900 1.00 0.00 C ATOM 700 C SER A 48 8.522 -9.628 3.050 1.00 0.00 C ATOM 701 O SER A 48 8.955 -10.345 2.148 1.00 0.00 O ATOM 702 CB SER A 48 6.146 -9.527 3.825 1.00 0.00 C ATOM 703 OG SER A 48 6.328 -9.099 5.164 1.00 0.00 O ATOM 0 H SER A 48 5.822 -9.388 1.387 1.00 0.00 H new ATOM 0 HA SER A 48 7.333 -7.856 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.146 -9.256 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.216 -10.614 3.774 1.00 0.00 H new ATOM 0 HG SER A 48 5.647 -9.512 5.735 1.00 0.00 H new ATOM 766 N ASP A 54 2.466 -12.482 3.184 1.00 0.00 N ATOM 767 CA ASP A 54 2.445 -11.174 3.829 1.00 0.00 C ATOM 768 C ASP A 54 3.011 -10.103 2.902 1.00 0.00 C ATOM 769 O ASP A 54 3.807 -10.397 2.010 1.00 0.00 O ATOM 770 CB ASP A 54 3.242 -11.212 5.133 1.00 0.00 C ATOM 771 CG ASP A 54 2.869 -12.394 6.006 1.00 0.00 C ATOM 772 OD1 ASP A 54 3.351 -13.512 5.730 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.095 -12.200 6.967 1.00 0.00 O ATOM 0 HA ASP A 54 1.408 -10.923 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.307 -11.255 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.073 -10.288 5.686 1.00 0.00 H new ATOM 778 N TYR A 55 2.595 -8.861 3.119 1.00 0.00 N ATOM 779 CA TYR A 55 3.058 -7.746 2.302 1.00 0.00 C ATOM 780 C TYR A 55 3.542 -6.593 3.176 1.00 0.00 C ATOM 781 O TYR A 55 3.320 -6.581 4.387 1.00 0.00 O ATOM 782 CB TYR A 55 1.938 -7.264 1.377 1.00 0.00 C ATOM 783 CG TYR A 55 1.488 -8.305 0.377 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.198 -8.520 -0.798 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.354 -9.073 0.607 1.00 0.00 C ATOM 786 CE1 TYR A 55 1.791 -9.469 -1.715 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.060 -10.026 -0.304 1.00 0.00 C ATOM 788 CZ TYR A 55 0.662 -10.220 -1.463 1.00 0.00 C ATOM 789 OH TYR A 55 0.252 -11.167 -2.374 1.00 0.00 O ATOM 0 H TYR A 55 1.938 -8.601 3.854 1.00 0.00 H new ATOM 0 HA TYR A 55 3.895 -8.096 1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.084 -6.961 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.278 -6.379 0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.083 -7.935 -0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.214 -8.923 1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.353 -9.622 -2.624 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.944 -10.615 -0.110 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.559 -11.608 -2.045 1.00 0.00 H new ATOM 799 N VAL A 56 4.204 -5.623 2.552 1.00 0.00 N ATOM 800 CA VAL A 56 4.718 -4.464 3.272 1.00 0.00 C ATOM 801 C VAL A 56 4.524 -3.186 2.464 1.00 0.00 C ATOM 802 O VAL A 56 5.180 -2.978 1.442 1.00 0.00 O ATOM 803 CB VAL A 56 6.214 -4.627 3.602 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.734 -3.405 4.343 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.445 -5.892 4.415 1.00 0.00 C ATOM 0 H VAL A 56 4.397 -5.617 1.550 1.00 0.00 H new ATOM 0 HA VAL A 56 4.154 -4.392 4.202 1.00 0.00 H new ATOM 0 HB VAL A 56 6.767 -4.717 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.792 -3.539 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.604 -2.520 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.179 -3.280 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.507 -5.992 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.881 -5.834 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.112 -6.758 3.843 1.00 0.00 H new ATOM 815 N LEU A 57 3.620 -2.331 2.929 1.00 0.00 N ATOM 816 CA LEU A 57 3.338 -1.071 2.250 1.00 0.00 C ATOM 817 C LEU A 57 4.297 0.022 2.712 1.00 0.00 C ATOM 818 O LEU A 57 4.161 0.556 3.813 1.00 0.00 O ATOM 819 CB LEU A 57 1.893 -0.641 2.509 1.00 0.00 C ATOM 820 CG LEU A 57 1.582 0.838 2.278 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.222 1.087 0.822 1.00 0.00 C ATOM 822 CD2 LEU A 57 0.455 1.295 3.194 1.00 0.00 C ATOM 0 H LEU A 57 3.070 -2.487 3.773 1.00 0.00 H new ATOM 0 HA LEU A 57 3.478 -1.224 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.238 -1.234 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.641 -0.888 3.540 1.00 0.00 H new ATOM 0 HG LEU A 57 2.474 1.418 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.004 2.145 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.059 0.798 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.345 0.496 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.247 2.350 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.441 0.709 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.751 1.154 4.233 1.00 0.00 H new ATOM 834 N SER A 58 5.264 0.352 1.863 1.00 0.00 N ATOM 835 CA SER A 58 6.246 1.381 2.185 1.00 0.00 C ATOM 836 C SER A 58 5.775 2.751 1.707 1.00 0.00 C ATOM 837 O SER A 58 5.336 2.907 0.568 1.00 0.00 O ATOM 838 CB SER A 58 7.597 1.043 1.549 1.00 0.00 C ATOM 839 OG SER A 58 8.127 -0.157 2.084 1.00 0.00 O ATOM 0 H SER A 58 5.389 -0.078 0.947 1.00 0.00 H new ATOM 0 HA SER A 58 6.360 1.413 3.269 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.480 0.943 0.470 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.297 1.861 1.719 1.00 0.00 H new ATOM 0 HG SER A 58 8.744 0.055 2.815 1.00 0.00 H new ATOM 845 N VAL A 59 5.869 3.742 2.588 1.00 0.00 N ATOM 846 CA VAL A 59 5.453 5.100 2.257 1.00 0.00 C ATOM 847 C VAL A 59 6.423 6.127 2.832 1.00 0.00 C ATOM 848 O VAL A 59 7.113 5.861 3.816 1.00 0.00 O ATOM 849 CB VAL A 59 4.037 5.397 2.784 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.139 4.181 2.618 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.091 5.835 4.240 1.00 0.00 C ATOM 0 H VAL A 59 6.229 3.630 3.536 1.00 0.00 H new ATOM 0 HA VAL A 59 5.451 5.175 1.170 1.00 0.00 H new ATOM 0 HB VAL A 59 3.615 6.213 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.143 4.410 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.075 3.917 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.555 3.343 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.081 6.041 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.533 5.042 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.697 6.737 4.326 1.00 0.00 H new ATOM 861 N SER A 60 6.470 7.301 2.210 1.00 0.00 N ATOM 862 CA SER A 60 7.358 8.367 2.658 1.00 0.00 C ATOM 863 C SER A 60 6.663 9.258 3.683 1.00 0.00 C ATOM 864 O SER A 60 5.682 9.932 3.371 1.00 0.00 O ATOM 865 CB SER A 60 7.821 9.208 1.466 1.00 0.00 C ATOM 866 OG SER A 60 8.866 10.089 1.839 1.00 0.00 O ATOM 0 H SER A 60 5.904 7.538 1.395 1.00 0.00 H new ATOM 0 HA SER A 60 8.227 7.908 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.162 8.552 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.981 9.781 1.073 1.00 0.00 H new ATOM 0 HG SER A 60 9.731 9.656 1.681 1.00 0.00 H new ATOM 872 N GLU A 61 7.180 9.255 4.908 1.00 0.00 N ATOM 873 CA GLU A 61 6.609 10.061 5.980 1.00 0.00 C ATOM 874 C GLU A 61 7.636 10.307 7.082 1.00 0.00 C ATOM 875 O GLU A 61 8.393 9.410 7.451 1.00 0.00 O ATOM 876 CB GLU A 61 5.374 9.373 6.564 1.00 0.00 C ATOM 877 CG GLU A 61 4.862 10.021 7.839 1.00 0.00 C ATOM 878 CD GLU A 61 5.518 9.457 9.084 1.00 0.00 C ATOM 879 OE1 GLU A 61 6.436 8.622 8.943 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.114 9.850 10.198 1.00 0.00 O ATOM 0 H GLU A 61 7.993 8.703 5.182 1.00 0.00 H new ATOM 0 HA GLU A 61 6.315 11.023 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.579 9.379 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.612 8.329 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.041 11.095 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.783 9.880 7.906 1.00 0.00 H new ATOM 887 N ASN A 62 7.655 11.530 7.602 1.00 0.00 N ATOM 888 CA ASN A 62 8.590 11.896 8.661 1.00 0.00 C ATOM 889 C ASN A 62 10.032 11.763 8.183 1.00 0.00 C ATOM 890 O ASN A 62 10.862 11.142 8.847 1.00 0.00 O ATOM 891 CB ASN A 62 8.366 11.017 9.893 1.00 0.00 C ATOM 892 CG ASN A 62 7.355 11.614 10.853 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.597 11.691 12.057 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.214 12.038 10.322 1.00 0.00 N ATOM 0 H ASN A 62 7.034 12.284 7.308 1.00 0.00 H new ATOM 0 HA ASN A 62 8.409 12.937 8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.024 10.032 9.576 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.314 10.874 10.411 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.495 12.448 10.918 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.057 11.954 9.318 1.00 0.00 H new ATOM 901 N SER A 63 10.324 12.350 7.027 1.00 0.00 N ATOM 902 CA SER A 63 11.665 12.295 6.458 1.00 0.00 C ATOM 903 C SER A 63 12.232 10.881 6.540 1.00 0.00 C ATOM 904 O SER A 63 13.442 10.692 6.662 1.00 0.00 O ATOM 905 CB SER A 63 12.591 13.271 7.187 1.00 0.00 C ATOM 906 OG SER A 63 12.257 14.614 6.883 1.00 0.00 O ATOM 0 H SER A 63 9.649 12.870 6.466 1.00 0.00 H new ATOM 0 HA SER A 63 11.600 12.582 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.520 13.110 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.625 13.077 6.903 1.00 0.00 H new ATOM 0 HG SER A 63 12.862 15.218 7.362 1.00 0.00 H new ATOM 912 N ARG A 64 11.348 9.891 6.471 1.00 0.00 N ATOM 913 CA ARG A 64 11.759 8.494 6.538 1.00 0.00 C ATOM 914 C ARG A 64 10.818 7.611 5.724 1.00 0.00 C ATOM 915 O ARG A 64 9.849 8.093 5.138 1.00 0.00 O ATOM 916 CB ARG A 64 11.792 8.019 7.992 1.00 0.00 C ATOM 917 CG ARG A 64 10.417 7.715 8.564 1.00 0.00 C ATOM 918 CD ARG A 64 10.471 6.571 9.565 1.00 0.00 C ATOM 919 NE ARG A 64 10.602 7.051 10.938 1.00 0.00 N ATOM 920 CZ ARG A 64 10.418 6.282 12.006 1.00 0.00 C ATOM 921 NH1 ARG A 64 10.097 5.004 11.859 1.00 0.00 N ATOM 922 NH2 ARG A 64 10.555 6.792 13.223 1.00 0.00 N ATOM 0 H ARG A 64 10.343 10.031 6.369 1.00 0.00 H new ATOM 0 HA ARG A 64 12.760 8.415 6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.410 7.124 8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.270 8.783 8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.018 8.606 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.733 7.460 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.567 5.969 9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.312 5.920 9.327 1.00 0.00 H new ATOM 0 HE ARG A 64 10.848 8.030 11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.991 4.609 10.925 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.956 4.416 12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.802 7.775 13.339 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.414 6.201 14.042 1.00 0.00 H new ATOM 936 N VAL A 65 11.110 6.314 5.693 1.00 0.00 N ATOM 937 CA VAL A 65 10.290 5.364 4.952 1.00 0.00 C ATOM 938 C VAL A 65 9.491 4.473 5.897 1.00 0.00 C ATOM 939 O VAL A 65 10.030 3.537 6.488 1.00 0.00 O ATOM 940 CB VAL A 65 11.151 4.476 4.033 1.00 0.00 C ATOM 941 CG1 VAL A 65 10.268 3.608 3.149 1.00 0.00 C ATOM 942 CG2 VAL A 65 12.086 5.331 3.191 1.00 0.00 C ATOM 0 H VAL A 65 11.908 5.898 6.173 1.00 0.00 H new ATOM 0 HA VAL A 65 9.603 5.949 4.341 1.00 0.00 H new ATOM 0 HB VAL A 65 11.758 3.819 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.894 2.988 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.644 2.969 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.633 4.244 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.687 4.688 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.500 6.014 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.742 5.905 3.845 1.00 0.00 H new ATOM 952 N SER A 66 8.203 4.770 6.035 1.00 0.00 N ATOM 953 CA SER A 66 7.330 3.999 6.911 1.00 0.00 C ATOM 954 C SER A 66 6.941 2.674 6.261 1.00 0.00 C ATOM 955 O SER A 66 6.102 2.634 5.361 1.00 0.00 O ATOM 956 CB SER A 66 6.073 4.802 7.250 1.00 0.00 C ATOM 957 OG SER A 66 6.253 5.555 8.437 1.00 0.00 O ATOM 0 H SER A 66 7.741 5.540 5.551 1.00 0.00 H new ATOM 0 HA SER A 66 7.875 3.787 7.831 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.832 5.471 6.424 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.227 4.125 7.370 1.00 0.00 H new ATOM 0 HG SER A 66 6.264 6.511 8.220 1.00 0.00 H new ATOM 963 N HIS A 67 7.557 1.591 6.725 1.00 0.00 N ATOM 964 CA HIS A 67 7.276 0.264 6.190 1.00 0.00 C ATOM 965 C HIS A 67 6.143 -0.404 6.963 1.00 0.00 C ATOM 966 O HIS A 67 6.378 -1.109 7.945 1.00 0.00 O ATOM 967 CB HIS A 67 8.531 -0.608 6.247 1.00 0.00 C ATOM 968 CG HIS A 67 9.727 0.021 5.602 1.00 0.00 C ATOM 969 ND1 HIS A 67 10.077 -0.201 4.287 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.656 0.871 6.099 1.00 0.00 C ATOM 971 CE1 HIS A 67 11.170 0.484 4.003 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.542 1.144 5.085 1.00 0.00 N ATOM 0 H HIS A 67 8.254 1.607 7.470 1.00 0.00 H new ATOM 0 HA HIS A 67 6.967 0.376 5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.764 -0.828 7.289 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.324 -1.560 5.759 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.694 1.262 7.105 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.674 0.502 3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.355 1.756 5.156 1.00 0.00 H new ATOM 981 N TYR A 68 4.913 -0.178 6.513 1.00 0.00 N ATOM 982 CA TYR A 68 3.743 -0.756 7.164 1.00 0.00 C ATOM 983 C TYR A 68 3.520 -2.194 6.707 1.00 0.00 C ATOM 984 O TYR A 68 3.404 -2.467 5.512 1.00 0.00 O ATOM 985 CB TYR A 68 2.501 0.085 6.865 1.00 0.00 C ATOM 986 CG TYR A 68 2.543 1.467 7.477 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.678 1.637 8.849 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.448 2.603 6.682 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.716 2.898 9.412 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.487 3.868 7.236 1.00 0.00 C ATOM 991 CZ TYR A 68 2.621 4.010 8.602 1.00 0.00 C ATOM 992 OH TYR A 68 2.660 5.268 9.159 1.00 0.00 O ATOM 0 H TYR A 68 4.701 0.401 5.701 1.00 0.00 H new ATOM 0 HA TYR A 68 3.921 -0.760 8.239 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.387 0.179 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.620 -0.440 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.755 0.769 9.486 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.342 2.495 5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.820 3.012 10.481 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.413 4.740 6.604 1.00 0.00 H new ATOM 0 HH TYR A 68 2.582 5.942 8.451 1.00 0.00 H new ATOM 1002 N ILE A 69 3.460 -3.110 7.668 1.00 0.00 N ATOM 1003 CA ILE A 69 3.249 -4.520 7.366 1.00 0.00 C ATOM 1004 C ILE A 69 1.764 -4.836 7.226 1.00 0.00 C ATOM 1005 O ILE A 69 0.937 -4.325 7.982 1.00 0.00 O ATOM 1006 CB ILE A 69 3.855 -5.426 8.454 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.351 -5.143 8.609 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.620 -6.891 8.115 1.00 0.00 C ATOM 1009 CD1 ILE A 69 5.984 -5.865 9.778 1.00 0.00 C ATOM 0 H ILE A 69 3.555 -2.901 8.662 1.00 0.00 H new ATOM 0 HA ILE A 69 3.751 -4.718 6.419 1.00 0.00 H new ATOM 0 HB ILE A 69 3.363 -5.209 9.402 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.864 -5.433 7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.499 -4.070 8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.054 -7.519 8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.549 -7.082 8.050 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.089 -7.123 7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.045 -5.618 9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.496 -5.557 10.703 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.868 -6.941 9.647 1.00 0.00 H new ATOM 1021 N ILE A 70 1.433 -5.683 6.257 1.00 0.00 N ATOM 1022 CA ILE A 70 0.048 -6.069 6.020 1.00 0.00 C ATOM 1023 C ILE A 70 -0.144 -7.570 6.210 1.00 0.00 C ATOM 1024 O ILE A 70 0.256 -8.369 5.364 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.412 -5.679 4.603 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.336 -4.162 4.419 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.826 -6.179 4.348 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.019 -3.676 3.955 1.00 0.00 C ATOM 0 H ILE A 70 2.106 -6.115 5.623 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.558 -5.532 6.749 1.00 0.00 H new ATOM 0 HB ILE A 70 0.254 -6.148 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.091 -3.854 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.583 -3.677 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.136 -5.895 3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.851 -7.265 4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.505 -5.736 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.999 -2.592 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.776 -3.953 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.260 -4.133 2.995 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.761 -7.947 7.325 1.00 0.00 N ATOM 1041 CA ASN A 71 -1.008 -9.352 7.625 1.00 0.00 C ATOM 1042 C ASN A 71 -2.060 -9.933 6.684 1.00 0.00 C ATOM 1043 O ASN A 71 -3.096 -9.316 6.439 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.462 -9.513 9.077 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.408 -9.055 10.067 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.688 -8.263 10.966 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.812 -9.553 9.904 1.00 0.00 N ATOM 0 H ASN A 71 -1.099 -7.298 8.036 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.076 -9.898 7.480 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.377 -8.942 9.234 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.703 -10.559 9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.563 -9.281 10.539 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.998 -10.207 9.144 1.00 0.00 H new ATOM 1054 N SER A 72 -1.785 -11.123 6.161 1.00 0.00 N ATOM 1055 CA SER A 72 -2.705 -11.786 5.244 1.00 0.00 C ATOM 1056 C SER A 72 -3.627 -12.741 5.997 1.00 0.00 C ATOM 1057 O SER A 72 -3.245 -13.867 6.318 1.00 0.00 O ATOM 1058 CB SER A 72 -1.927 -12.550 4.171 1.00 0.00 C ATOM 1059 OG SER A 72 -2.771 -13.451 3.474 1.00 0.00 O ATOM 0 H SER A 72 -0.933 -11.648 6.356 1.00 0.00 H new ATOM 0 HA SER A 72 -3.316 -11.021 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.483 -11.845 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.107 -13.099 4.633 1.00 0.00 H new ATOM 0 HG SER A 72 -2.251 -13.926 2.793 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.843 -12.283 6.275 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.821 -13.095 6.990 1.00 0.00 C ATOM 1067 C LEU A 73 -6.290 -14.265 6.130 1.00 0.00 C ATOM 1068 O LEU A 73 -6.471 -14.144 4.919 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.020 -12.239 7.403 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.691 -10.897 8.059 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.948 -10.054 8.207 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.030 -11.113 9.413 1.00 0.00 C ATOM 0 H LEU A 73 -5.175 -11.354 6.016 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.341 -13.494 7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.628 -12.049 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.634 -12.818 8.093 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.992 -10.362 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.695 -9.103 8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.381 -9.870 7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.670 -10.584 8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.803 -10.148 9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.706 -11.668 10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.107 -11.678 9.281 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.493 -15.426 6.771 1.00 0.00 N ATOM 1085 CA PRO A 74 -6.946 -16.639 6.085 1.00 0.00 C ATOM 1086 C PRO A 74 -8.393 -16.533 5.614 1.00 0.00 C ATOM 1087 O PRO A 74 -8.914 -17.443 4.970 1.00 0.00 O ATOM 1088 CB PRO A 74 -6.811 -17.724 7.157 1.00 0.00 C ATOM 1089 CG PRO A 74 -6.915 -16.993 8.451 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.297 -15.643 8.214 1.00 0.00 C ATOM 0 HA PRO A 74 -6.367 -16.837 5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.596 -18.474 7.062 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.858 -18.247 7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.955 -16.897 8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.393 -17.528 9.244 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.784 -14.869 8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.241 -15.632 8.482 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.036 -15.417 5.939 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.423 -15.192 5.548 1.00 0.00 C ATOM 1100 C ASN A 75 -10.501 -14.339 4.286 1.00 0.00 C ATOM 1101 O ASN A 75 -11.351 -13.455 4.173 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.191 -14.513 6.684 1.00 0.00 C ATOM 1103 CG ASN A 75 -12.664 -14.345 6.367 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -13.231 -15.103 5.581 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -13.291 -13.346 6.978 1.00 0.00 N ATOM 0 H ASN A 75 -8.619 -14.654 6.472 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.877 -16.161 5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.083 -15.102 7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.751 -13.536 6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.283 -13.183 6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.781 -12.742 7.622 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.610 -14.611 3.338 1.00 0.00 N ATOM 1113 CA ARG A 76 -9.577 -13.869 2.084 1.00 0.00 C ATOM 1114 C ARG A 76 -9.605 -12.366 2.341 1.00 0.00 C ATOM 1115 O ARG A 76 -10.286 -11.618 1.638 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.760 -14.269 1.200 1.00 0.00 C ATOM 1117 CG ARG A 76 -10.806 -15.753 0.876 1.00 0.00 C ATOM 1118 CD ARG A 76 -10.036 -16.069 -0.396 1.00 0.00 C ATOM 1119 NE ARG A 76 -8.615 -15.757 -0.268 1.00 0.00 N ATOM 1120 CZ ARG A 76 -8.072 -14.619 -0.686 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -8.827 -13.690 -1.256 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -6.771 -14.409 -0.535 1.00 0.00 N ATOM 0 H ARG A 76 -8.901 -15.340 3.415 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.648 -14.114 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.687 -13.986 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.714 -13.704 0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.387 -16.321 1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.843 -16.070 0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.155 -17.125 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.458 -15.502 -1.226 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.006 -16.451 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.828 -13.848 -1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.407 -12.817 -1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.187 -15.122 -0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.355 -13.535 -0.856 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.862 -11.930 3.353 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.803 -10.516 3.703 1.00 0.00 C ATOM 1138 C ARG A 77 -7.436 -10.155 4.278 1.00 0.00 C ATOM 1139 O ARG A 77 -6.708 -11.020 4.765 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.899 -10.173 4.714 1.00 0.00 C ATOM 1141 CG ARG A 77 -11.292 -10.120 4.107 1.00 0.00 C ATOM 1142 CD ARG A 77 -12.369 -10.168 5.179 1.00 0.00 C ATOM 1143 NE ARG A 77 -12.696 -8.838 5.686 1.00 0.00 N ATOM 1144 CZ ARG A 77 -13.461 -8.625 6.751 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -13.974 -9.650 7.418 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -13.713 -7.385 7.152 1.00 0.00 N ATOM 0 H ARG A 77 -8.293 -12.535 3.945 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.961 -9.936 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.888 -10.913 5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.673 -9.209 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.400 -9.207 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.423 -10.956 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.267 -10.631 4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.033 -10.797 6.003 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.316 -8.028 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.781 -10.604 7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.561 -9.484 8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.319 -6.594 6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.301 -7.223 7.970 1.00 0.00 H new ATOM 1160 N PHE A 78 -7.094 -8.872 4.217 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.815 -8.396 4.730 1.00 0.00 C ATOM 1162 C PHE A 78 -6.007 -7.592 6.012 1.00 0.00 C ATOM 1163 O PHE A 78 -7.113 -7.147 6.319 1.00 0.00 O ATOM 1164 CB PHE A 78 -5.107 -7.540 3.678 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.881 -8.253 2.376 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -5.954 -8.698 1.619 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -3.597 -8.481 1.908 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -5.750 -9.355 0.420 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -3.387 -9.136 0.710 1.00 0.00 C ATOM 1170 CZ PHE A 78 -4.464 -9.575 -0.034 1.00 0.00 C ATOM 0 H PHE A 78 -7.685 -8.143 3.817 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.197 -9.265 4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.698 -6.643 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.146 -7.212 4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.961 -8.529 1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.750 -8.143 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.594 -9.696 -0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.381 -9.305 0.356 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.301 -10.090 -0.969 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.923 -7.409 6.757 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.970 -6.659 8.006 1.00 0.00 C ATOM 1182 C LYS A 79 -3.717 -5.805 8.175 1.00 0.00 C ATOM 1183 O LYS A 79 -2.642 -6.319 8.485 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.113 -7.613 9.194 1.00 0.00 C ATOM 1185 CG LYS A 79 -4.960 -6.932 10.543 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.733 -7.943 11.655 1.00 0.00 C ATOM 1187 CE LYS A 79 -4.369 -7.259 12.964 1.00 0.00 C ATOM 1188 NZ LYS A 79 -3.487 -8.112 13.808 1.00 0.00 N ATOM 0 H LYS A 79 -4.000 -7.770 6.517 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.837 -5.999 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.090 -8.093 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.366 -8.402 9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.123 -6.235 10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.853 -6.346 10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.634 -8.541 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.936 -8.629 11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.867 -6.315 12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.279 -7.021 13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.261 -7.611 14.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.975 -9.003 14.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.608 -8.319 13.293 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.863 -4.500 7.970 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.744 -3.576 8.103 1.00 0.00 C ATOM 1204 C ILE A 80 -2.756 -2.889 9.464 1.00 0.00 C ATOM 1205 O ILE A 80 -3.539 -1.970 9.700 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.766 -2.503 6.998 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.801 -1.366 7.342 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.177 -1.969 6.807 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.448 -0.495 6.158 1.00 0.00 C ATOM 0 H ILE A 80 -4.746 -4.059 7.711 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.834 -4.167 8.006 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.442 -2.958 6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.246 -0.745 8.120 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.886 -1.790 7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.176 -1.212 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.840 -2.786 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.528 -1.526 7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.761 0.289 6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.974 -1.103 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.355 -0.042 5.756 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.882 -3.341 10.357 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.807 -2.757 11.684 1.00 0.00 C ATOM 1223 C GLY A 81 -2.952 -3.195 12.575 1.00 0.00 C ATOM 1224 O GLY A 81 -2.986 -4.334 13.040 1.00 0.00 O ATOM 0 H GLY A 81 -1.224 -4.101 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.862 -3.037 12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.811 -1.670 11.600 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.893 -2.288 12.816 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.045 -2.586 13.659 1.00 0.00 C ATOM 1230 C ASP A 82 -6.345 -2.428 12.877 1.00 0.00 C ATOM 1231 O ASP A 82 -7.411 -2.230 13.460 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.058 -1.672 14.885 1.00 0.00 C ATOM 1233 CG ASP A 82 -3.856 -1.891 15.783 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -2.761 -1.397 15.441 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -4.011 -2.556 16.828 1.00 0.00 O ATOM 0 H ASP A 82 -3.880 -1.340 12.439 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.964 -3.622 13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.080 -0.632 14.559 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.970 -1.847 15.455 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.249 -2.515 11.554 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.418 -2.380 10.693 1.00 0.00 C ATOM 1242 C GLN A 83 -7.511 -3.546 9.714 1.00 0.00 C ATOM 1243 O GLN A 83 -6.559 -4.307 9.549 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.362 -1.058 9.926 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.577 0.165 10.803 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.873 0.099 11.587 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -8.866 -0.070 12.807 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -9.995 0.232 10.889 1.00 0.00 N ATOM 0 H GLN A 83 -5.374 -2.678 11.055 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.306 -2.388 11.325 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.394 -0.975 9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.119 -1.070 9.142 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.742 0.262 11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.579 1.059 10.179 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.954 0.370 9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.898 0.196 11.363 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.665 -3.679 9.068 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.882 -4.753 8.107 1.00 0.00 C ATOM 1259 C GLU A 84 -9.682 -4.256 6.906 1.00 0.00 C ATOM 1260 O GLU A 84 -10.560 -3.403 7.041 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.612 -5.923 8.771 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.882 -6.490 9.976 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.679 -7.567 10.687 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.327 -8.379 9.994 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.654 -7.598 11.935 1.00 0.00 O ATOM 0 H GLU A 84 -9.463 -3.057 9.193 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.908 -5.094 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.604 -5.593 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.754 -6.716 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.925 -6.903 9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.663 -5.684 10.676 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.372 -4.795 5.732 1.00 0.00 N ATOM 1273 CA PHE A 85 -10.060 -4.405 4.506 1.00 0.00 C ATOM 1274 C PHE A 85 -10.442 -5.632 3.684 1.00 0.00 C ATOM 1275 O PHE A 85 -10.184 -6.767 4.085 1.00 0.00 O ATOM 1276 CB PHE A 85 -9.176 -3.474 3.674 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.847 -2.183 4.366 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.717 -1.106 4.302 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.669 -2.045 5.081 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.416 0.084 4.938 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.363 -0.858 5.719 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.238 0.208 5.648 1.00 0.00 C ATOM 0 H PHE A 85 -8.649 -5.503 5.603 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.972 -3.876 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.249 -3.991 3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.679 -3.254 2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.640 -1.197 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.981 -2.875 5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.102 0.916 4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.440 -0.764 6.273 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.002 1.136 6.147 1.00 0.00 H new ATOM 1292 N ASP A 86 -11.058 -5.396 2.531 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.476 -6.481 1.650 1.00 0.00 C ATOM 1294 C ASP A 86 -10.280 -7.067 0.905 1.00 0.00 C ATOM 1295 O ASP A 86 -10.244 -8.262 0.611 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.520 -5.981 0.651 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.456 -7.083 0.192 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.997 -7.800 1.059 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -13.645 -7.228 -1.034 1.00 0.00 O ATOM 0 H ASP A 86 -11.279 -4.463 2.184 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.919 -7.265 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.102 -5.181 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.015 -5.553 -0.215 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.304 -6.217 0.602 1.00 0.00 N ATOM 1305 CA HIS A 87 -8.107 -6.651 -0.110 1.00 0.00 C ATOM 1306 C HIS A 87 -7.073 -5.531 -0.166 1.00 0.00 C ATOM 1307 O HIS A 87 -7.262 -4.467 0.425 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.465 -7.103 -1.526 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.565 -6.301 -2.150 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.379 -5.030 -2.651 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.870 -6.597 -2.355 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.522 -4.578 -3.135 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.443 -5.510 -2.968 1.00 0.00 N ATOM 0 H HIS A 87 -9.318 -5.225 0.838 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.676 -7.492 0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.577 -7.038 -2.155 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.761 -8.152 -1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.368 -7.517 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.677 -3.611 -3.590 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.421 -5.435 -3.249 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.980 -5.776 -0.881 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.915 -4.789 -1.014 1.00 0.00 C ATOM 1324 C LEU A 88 -5.451 -3.487 -1.602 1.00 0.00 C ATOM 1325 O LEU A 88 -5.377 -2.423 -0.987 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.792 -5.336 -1.897 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.624 -5.996 -1.164 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.695 -6.685 -2.152 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.862 -4.968 -0.341 1.00 0.00 C ATOM 0 H LEU A 88 -5.809 -6.650 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.519 -4.582 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.220 -6.064 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.400 -4.518 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.024 -6.750 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.870 -7.149 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.247 -7.450 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.302 -5.950 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.034 -5.455 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.473 -4.191 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.532 -4.520 0.393 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.004 -3.571 -2.821 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.566 -2.410 -3.517 1.00 0.00 C ATOM 1343 C PRO A 89 -7.847 -1.905 -2.863 1.00 0.00 C ATOM 1344 O PRO A 89 -8.564 -1.083 -3.432 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.858 -2.946 -4.921 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.043 -4.412 -4.736 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.126 -4.807 -3.612 1.00 0.00 C ATOM 0 HA PRO A 89 -5.886 -1.558 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.751 -2.485 -5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.036 -2.734 -5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.080 -4.647 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.797 -4.955 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.543 -5.623 -3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.158 -5.144 -3.983 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.128 -2.402 -1.663 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.322 -1.999 -0.930 1.00 0.00 C ATOM 1357 C ALA A 90 -8.958 -1.178 0.303 1.00 0.00 C ATOM 1358 O ALA A 90 -9.780 -0.422 0.823 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.135 -3.222 -0.531 1.00 0.00 C ATOM 0 H ALA A 90 -7.545 -3.084 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.927 -1.373 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.023 -2.906 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.434 -3.768 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.530 -3.870 0.103 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.723 -1.332 0.767 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.250 -0.605 1.940 1.00 0.00 C ATOM 1367 C LEU A 91 -6.627 0.728 1.540 1.00 0.00 C ATOM 1368 O LEU A 91 -6.838 1.748 2.198 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.231 -1.447 2.709 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.861 -1.610 2.051 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.923 -0.495 2.487 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.266 -2.970 2.385 1.00 0.00 C ATOM 0 H LEU A 91 -7.031 -1.954 0.349 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.107 -0.406 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.088 -0.999 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.655 -2.438 2.868 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.990 -1.548 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.953 -0.628 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.342 0.468 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.801 -0.525 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.291 -3.068 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.152 -3.062 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.928 -3.756 2.022 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.859 0.715 0.455 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.206 1.924 -0.035 1.00 0.00 C ATOM 1386 C LEU A 92 -6.236 2.985 -0.411 1.00 0.00 C ATOM 1387 O LEU A 92 -6.031 4.174 -0.170 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.328 1.598 -1.244 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.368 0.419 -1.079 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.907 -0.088 -2.437 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.175 0.819 -0.224 1.00 0.00 C ATOM 0 H LEU A 92 -5.674 -0.119 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.580 2.319 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.978 1.395 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.744 2.484 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.898 -0.388 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.225 -0.927 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.771 -0.414 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.395 0.713 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.502 -0.032 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.645 1.643 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.522 1.133 0.760 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.344 2.545 -0.999 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.405 3.457 -1.406 1.00 0.00 C ATOM 1405 C GLU A 93 -9.082 4.083 -0.189 1.00 0.00 C ATOM 1406 O GLU A 93 -9.610 5.192 -0.261 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.442 2.722 -2.258 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.165 1.612 -1.512 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.462 1.206 -2.185 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -11.401 0.618 -3.285 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.537 1.476 -1.611 1.00 0.00 O ATOM 0 H GLU A 93 -7.530 1.563 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.956 4.253 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.176 3.441 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.948 2.299 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.511 0.743 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.375 1.940 -0.494 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.061 3.362 0.927 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.673 3.844 2.159 1.00 0.00 C ATOM 1420 C PHE A 94 -8.730 4.785 2.903 1.00 0.00 C ATOM 1421 O PHE A 94 -9.162 5.592 3.727 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.052 2.667 3.060 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.100 3.006 4.081 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.412 3.231 3.698 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.773 3.099 5.425 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.378 3.544 4.635 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.735 3.412 6.367 1.00 0.00 C ATOM 1428 CZ PHE A 94 -13.040 3.633 5.971 1.00 0.00 C ATOM 0 H PHE A 94 -8.627 2.442 1.003 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.575 4.396 1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.413 1.847 2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.159 2.310 3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.683 3.161 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.755 2.925 5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.397 3.719 4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.467 3.484 7.411 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.794 3.875 6.705 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.440 4.676 2.606 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.434 5.515 3.247 1.00 0.00 C ATOM 1440 C TYR A 95 -6.304 6.855 2.530 1.00 0.00 C ATOM 1441 O TYR A 95 -5.843 7.840 3.107 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.082 4.801 3.267 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.894 3.892 4.461 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.072 4.367 5.755 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.538 2.560 4.295 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -4.901 3.541 6.849 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.366 1.726 5.383 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.548 2.221 6.658 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.377 1.394 7.744 1.00 0.00 O ATOM 0 H TYR A 95 -7.066 4.015 1.925 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.754 5.702 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.977 4.214 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.287 5.547 3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.349 5.400 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.393 2.169 3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.043 3.926 7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.091 0.692 5.236 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.961 1.688 8.474 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.715 6.885 1.267 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.647 8.103 0.468 1.00 0.00 C ATOM 1461 C LYS A 96 -7.264 9.280 1.218 1.00 0.00 C ATOM 1462 O LYS A 96 -7.003 10.439 0.894 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.367 7.902 -0.867 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.576 7.077 -1.867 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.478 6.474 -2.931 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.639 7.408 -4.120 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.796 8.330 -3.948 1.00 0.00 N ATOM 0 H LYS A 96 -7.099 6.079 0.774 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.597 8.325 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.325 7.415 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.584 8.877 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.821 7.704 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.046 6.281 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.062 5.524 -3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.456 6.259 -2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.727 7.990 -4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.775 6.820 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.492 8.157 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.239 8.163 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.466 9.315 -4.001 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.080 8.974 2.221 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.730 10.008 3.018 1.00 0.00 C ATOM 1483 C ILE A 97 -8.257 9.963 4.467 1.00 0.00 C ATOM 1484 O ILE A 97 -8.180 10.993 5.138 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.263 9.863 2.985 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.684 8.531 3.608 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.774 9.970 1.556 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.180 8.396 3.791 1.00 0.00 C ATOM 0 H ILE A 97 -8.307 8.020 2.501 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.454 10.966 2.578 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.703 10.671 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.328 7.716 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.196 8.422 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.859 9.866 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.500 10.941 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.329 9.180 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.406 7.428 4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.540 9.190 4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.673 8.473 2.822 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.940 8.764 4.944 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.472 8.585 6.314 1.00 0.00 C ATOM 1502 C HIS A 98 -5.957 8.739 6.394 1.00 0.00 C ATOM 1503 O HIS A 98 -5.218 8.131 5.619 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.885 7.210 6.840 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.344 7.105 7.162 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -9.978 5.904 7.400 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.295 8.061 7.284 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.255 6.125 7.655 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.473 7.426 7.591 1.00 0.00 N ATOM 0 H HIS A 98 -7.999 7.902 4.402 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.931 9.356 6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.630 6.454 6.097 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.307 6.984 7.736 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.153 9.125 7.162 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -11.995 5.370 7.878 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.371 7.885 7.745 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.500 9.557 7.336 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.072 9.795 7.516 1.00 0.00 C ATOM 1520 C TYR A 99 -3.456 8.740 8.430 1.00 0.00 C ATOM 1521 O TYR A 99 -3.776 8.666 9.617 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.835 11.190 8.096 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.307 12.308 7.195 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.660 12.498 6.940 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.400 13.175 6.597 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.096 13.518 6.117 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -3.827 14.199 5.774 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.176 14.366 5.536 1.00 0.00 C ATOM 1529 OH TYR A 99 -5.605 15.384 4.716 1.00 0.00 O ATOM 0 H TYR A 99 -6.098 10.067 7.987 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.592 9.729 6.540 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.347 11.267 9.055 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.770 11.317 8.291 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.383 11.836 7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.343 13.046 6.779 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.151 13.651 5.929 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.109 14.865 5.319 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.831 15.889 4.389 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.568 7.926 7.869 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.904 6.875 8.632 1.00 0.00 C ATOM 1541 C LEU A 100 -1.254 7.443 9.889 1.00 0.00 C ATOM 1542 O LEU A 100 -1.687 7.158 11.006 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.850 6.180 7.769 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.322 5.685 6.401 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.171 5.687 5.406 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.927 4.294 6.516 1.00 0.00 C ATOM 0 H LEU A 100 -2.291 7.974 6.888 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.657 6.147 8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.021 6.871 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.457 5.329 8.325 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.092 6.365 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.526 5.332 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.217 6.700 5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.622 5.030 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.257 3.958 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.179 3.603 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.779 4.323 7.195 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.215 8.248 9.700 1.00 0.00 N ATOM 1559 CA ASP A 101 0.492 8.859 10.819 1.00 0.00 C ATOM 1560 C ASP A 101 0.390 10.380 10.762 1.00 0.00 C ATOM 1561 O ASP A 101 -0.260 11.002 11.604 1.00 0.00 O ATOM 1562 CB ASP A 101 1.962 8.434 10.815 1.00 0.00 C ATOM 1563 CG ASP A 101 2.562 8.412 12.206 1.00 0.00 C ATOM 1564 OD1 ASP A 101 2.165 9.254 13.038 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.429 7.551 12.464 1.00 0.00 O ATOM 0 H ASP A 101 0.157 8.493 8.782 1.00 0.00 H new ATOM 0 HA ASP A 101 0.025 8.516 11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.049 7.443 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.533 9.118 10.187 1.00 0.00 H new ATOM 1570 N THR A 102 1.036 10.975 9.764 1.00 0.00 N ATOM 1571 CA THR A 102 1.020 12.423 9.598 1.00 0.00 C ATOM 1572 C THR A 102 0.569 12.810 8.194 1.00 0.00 C ATOM 1573 O THR A 102 0.298 13.979 7.917 1.00 0.00 O ATOM 1574 CB THR A 102 2.408 13.035 9.866 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.350 14.459 9.729 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.443 12.469 8.905 1.00 0.00 C ATOM 0 H THR A 102 1.577 10.476 9.058 1.00 0.00 H new ATOM 0 HA THR A 102 0.311 12.817 10.326 1.00 0.00 H new ATOM 0 HB THR A 102 2.703 12.781 10.884 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.651 14.697 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.415 12.916 9.113 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.505 11.388 9.033 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.151 12.697 7.880 1.00 0.00 H new ATOM 1584 N THR A 103 0.489 11.821 7.309 1.00 0.00 N ATOM 1585 CA THR A 103 0.071 12.059 5.933 1.00 0.00 C ATOM 1586 C THR A 103 -0.754 10.893 5.400 1.00 0.00 C ATOM 1587 O THR A 103 -0.989 9.911 6.105 1.00 0.00 O ATOM 1588 CB THR A 103 1.283 12.280 5.008 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.843 12.746 3.728 1.00 0.00 O ATOM 1590 CG2 THR A 103 2.078 10.994 4.840 1.00 0.00 C ATOM 0 H THR A 103 0.708 10.848 7.521 1.00 0.00 H new ATOM 0 HA THR A 103 -0.541 12.961 5.940 1.00 0.00 H new ATOM 0 HB THR A 103 1.929 13.030 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.619 12.886 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.929 11.175 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.436 10.658 5.813 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.440 10.226 4.404 1.00 0.00 H new ATOM 1598 N THR A 104 -1.192 11.006 4.150 1.00 0.00 N ATOM 1599 CA THR A 104 -1.991 9.962 3.522 1.00 0.00 C ATOM 1600 C THR A 104 -1.320 9.441 2.257 1.00 0.00 C ATOM 1601 O THR A 104 -0.198 9.831 1.931 1.00 0.00 O ATOM 1602 CB THR A 104 -3.402 10.470 3.170 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.316 11.525 2.206 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.124 10.969 4.412 1.00 0.00 C ATOM 0 H THR A 104 -1.006 11.811 3.552 1.00 0.00 H new ATOM 0 HA THR A 104 -2.075 9.151 4.245 1.00 0.00 H new ATOM 0 HB THR A 104 -3.969 9.639 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.217 11.841 1.986 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.118 11.322 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.214 10.156 5.132 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.558 11.787 4.858 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.013 8.559 1.545 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.483 7.985 0.313 1.00 0.00 C ATOM 1614 C LEU A 105 -1.886 8.824 -0.896 1.00 0.00 C ATOM 1615 O LEU A 105 -3.064 8.899 -1.246 1.00 0.00 O ATOM 1616 CB LEU A 105 -1.982 6.549 0.141 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.697 5.595 1.301 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.424 4.275 1.098 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.200 5.365 1.447 1.00 0.00 C ATOM 0 H LEU A 105 -2.943 8.226 1.800 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.395 7.980 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.059 6.577 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.533 6.135 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.065 6.051 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.209 3.609 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.498 4.455 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.087 3.813 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.016 4.684 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.193 4.931 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.297 6.316 1.641 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.900 9.450 -1.529 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.152 10.281 -2.700 1.00 0.00 C ATOM 1633 C ILE A 106 -0.975 9.483 -3.988 1.00 0.00 C ATOM 1634 O ILE A 106 -1.946 9.187 -4.683 1.00 0.00 O ATOM 1635 CB ILE A 106 -0.216 11.504 -2.734 1.00 0.00 C ATOM 1636 CG1 ILE A 106 -0.287 12.265 -1.409 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.580 12.417 -3.896 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.641 12.883 -1.139 1.00 0.00 C ATOM 0 H ILE A 106 0.080 9.398 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.184 10.625 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 106 0.807 11.156 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.038 11.584 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.468 13.051 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.090 13.277 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.483 11.869 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.608 12.760 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.618 13.406 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.884 13.589 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.398 12.100 -1.106 1.00 0.00 H new ATOM 1650 N GLU A 107 0.271 9.138 -4.297 1.00 0.00 N ATOM 1651 CA GLU A 107 0.574 8.373 -5.501 1.00 0.00 C ATOM 1652 C GLU A 107 1.726 7.403 -5.254 1.00 0.00 C ATOM 1653 O GLU A 107 2.642 7.673 -4.477 1.00 0.00 O ATOM 1654 CB GLU A 107 0.925 9.315 -6.655 1.00 0.00 C ATOM 1655 CG GLU A 107 2.220 10.081 -6.443 1.00 0.00 C ATOM 1656 CD GLU A 107 2.526 11.035 -7.581 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.433 10.612 -8.753 1.00 0.00 O ATOM 1658 OE2 GLU A 107 2.859 12.206 -7.300 1.00 0.00 O ATOM 0 H GLU A 107 1.086 9.376 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.312 7.797 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.002 8.736 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.111 10.026 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.158 10.642 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.043 9.374 -6.335 1.00 0.00 H new ATOM 1665 N PRO A 108 1.679 6.245 -5.929 1.00 0.00 N ATOM 1666 CA PRO A 108 2.709 5.211 -5.800 1.00 0.00 C ATOM 1667 C PRO A 108 4.036 5.633 -6.422 1.00 0.00 C ATOM 1668 O PRO A 108 4.065 6.224 -7.501 1.00 0.00 O ATOM 1669 CB PRO A 108 2.116 4.022 -6.560 1.00 0.00 C ATOM 1670 CG PRO A 108 1.174 4.631 -7.540 1.00 0.00 C ATOM 1671 CD PRO A 108 0.616 5.857 -6.871 1.00 0.00 C ATOM 0 HA PRO A 108 2.941 4.995 -4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.893 3.446 -7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.599 3.339 -5.886 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.688 4.891 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.379 3.933 -7.802 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.409 6.649 -7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.320 5.642 -6.355 1.00 0.00 H new ATOM 1679 N ALA A 109 5.131 5.325 -5.736 1.00 0.00 N ATOM 1680 CA ALA A 109 6.461 5.671 -6.223 1.00 0.00 C ATOM 1681 C ALA A 109 6.625 5.284 -7.689 1.00 0.00 C ATOM 1682 O ALA A 109 6.049 4.307 -8.167 1.00 0.00 O ATOM 1683 CB ALA A 109 7.526 4.994 -5.374 1.00 0.00 C ATOM 0 H ALA A 109 5.124 4.836 -4.841 1.00 0.00 H new ATOM 0 HA ALA A 109 6.582 6.751 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.514 5.261 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.429 5.322 -4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.399 3.913 -5.425 1.00 0.00 H new ATOM 1689 N PRO A 110 7.430 6.068 -8.422 1.00 0.00 N ATOM 1690 CA PRO A 110 7.689 5.827 -9.844 1.00 0.00 C ATOM 1691 C PRO A 110 8.532 4.578 -10.077 1.00 0.00 C ATOM 1692 O PRO A 110 9.383 4.231 -9.258 1.00 0.00 O ATOM 1693 CB PRO A 110 8.455 7.078 -10.282 1.00 0.00 C ATOM 1694 CG PRO A 110 9.097 7.585 -9.037 1.00 0.00 C ATOM 1695 CD PRO A 110 8.150 7.250 -7.918 1.00 0.00 C ATOM 0 HA PRO A 110 6.768 5.656 -10.402 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.199 6.841 -11.042 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.785 7.822 -10.713 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.068 7.116 -8.880 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.268 8.660 -9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.683 7.031 -6.993 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.470 8.075 -7.707 1.00 0.00 H new