USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 531 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 46 HIS :FLIP no HE2:sc= -0.111 F(o=-0.015,f=1.3) USER MOD Set 1.2: A 51 SER OG : rot -127:sc= 1.41 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00441 USER MOD Single : A 12 GLN :FLIP amide:sc= -1.01 F(o=-2.7,f=-1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.144) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0582 (180deg=-0.394) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.93! C(o=-1.9!,f=-7!) USER MOD Single : A 32 GLN : amide:sc= -5.69! C(o=-5.7!,f=-12!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.034 F(o=-1.2!,f=-0.034) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0595 F(o=-1.5,f=-0.059) USER MOD Single : A 55 HIS : no HE2:sc= -0.701 K(o=-0.7,f=-1.2) USER MOD Single : A 57 GLN : amide:sc= -0.0876 X(o=-0.088,f=-0.06) USER MOD Single : A 58 ASN : amide:sc= -0.0011 K(o=-0.0011,f=-9.3!) USER MOD Single : A 60 SER OG : rot -120:sc= 0.788 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 67 HIS :FLIP no HE2:sc= 0.37 F(o=-1.2,f=0.37) USER MOD Single : A 68 GLN : amide:sc= -0.984 K(o=-0.98,f=-2.8!) USER MOD Single : A 71 LYS NZ :NH3+ -108:sc= 0.0462 (180deg=-0.618) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 11.949 1.000 4.108 1.00 0.00 N ATOM 125 CA CYS A 9 13.176 1.150 3.350 1.00 0.00 C ATOM 126 C CYS A 9 13.330 -0.078 2.473 1.00 0.00 C ATOM 127 O CYS A 9 13.920 -1.081 2.871 1.00 0.00 O ATOM 128 CB CYS A 9 14.391 1.319 4.263 1.00 0.00 C ATOM 129 SG CYS A 9 15.886 1.952 3.422 1.00 0.00 S ATOM 0 HA CYS A 9 13.120 2.052 2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.129 1.999 5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.625 0.357 4.718 1.00 0.00 H new ATOM 134 N CYS A 10 12.748 -0.005 1.293 1.00 0.00 N ATOM 135 CA CYS A 10 12.625 -1.159 0.434 1.00 0.00 C ATOM 136 C CYS A 10 13.203 -0.859 -0.935 1.00 0.00 C ATOM 137 O CYS A 10 12.837 0.130 -1.571 1.00 0.00 O ATOM 138 CB CYS A 10 11.155 -1.555 0.314 1.00 0.00 C ATOM 139 SG CYS A 10 10.886 -3.169 -0.481 1.00 0.00 S ATOM 0 H CYS A 10 12.350 0.851 0.907 1.00 0.00 H new ATOM 0 HA CYS A 10 13.183 -1.988 0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.712 -1.574 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.628 -0.789 -0.255 1.00 0.00 H new ATOM 144 N THR A 11 14.107 -1.713 -1.378 1.00 0.00 N ATOM 145 CA THR A 11 14.812 -1.501 -2.626 1.00 0.00 C ATOM 146 C THR A 11 14.166 -2.270 -3.778 1.00 0.00 C ATOM 147 O THR A 11 13.974 -1.728 -4.867 1.00 0.00 O ATOM 148 CB THR A 11 16.282 -1.920 -2.471 1.00 0.00 C ATOM 149 OG1 THR A 11 16.350 -3.262 -1.967 1.00 0.00 O ATOM 150 CG2 THR A 11 17.007 -0.979 -1.518 1.00 0.00 C ATOM 0 H THR A 11 14.371 -2.567 -0.886 1.00 0.00 H new ATOM 0 HA THR A 11 14.757 -0.439 -2.866 1.00 0.00 H new ATOM 0 HB THR A 11 16.765 -1.870 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.288 -3.528 -1.870 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.047 -1.291 -1.420 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.968 0.037 -1.910 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.526 -1.009 -0.541 1.00 0.00 H new ATOM 158 N GLN A 12 13.821 -3.529 -3.533 1.00 0.00 N ATOM 159 CA GLN A 12 13.204 -4.361 -4.562 1.00 0.00 C ATOM 160 C GLN A 12 11.727 -4.015 -4.712 1.00 0.00 C ATOM 161 O GLN A 12 10.900 -4.408 -3.887 1.00 0.00 O ATOM 162 CB GLN A 12 13.357 -5.858 -4.244 1.00 0.00 C ATOM 163 CG GLN A 12 14.285 -6.166 -3.075 1.00 0.00 C ATOM 164 CD GLN A 12 13.578 -6.160 -1.727 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.490 -5.414 -1.621 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 13.996 -6.846 -0.795 1.00 0.00 N flip ATOM 0 H GLN A 12 13.957 -3.995 -2.636 1.00 0.00 H new ATOM 0 HA GLN A 12 13.720 -4.157 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.372 -6.273 -4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.730 -6.368 -5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.744 -7.142 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 12 15.092 -5.433 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.838 -7.409 -0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 12 13.500 -6.852 0.096 1.00 0.00 H new ATOM 175 N LEU A 13 11.405 -3.267 -5.757 1.00 0.00 N ATOM 176 CA LEU A 13 10.031 -2.862 -6.012 1.00 0.00 C ATOM 177 C LEU A 13 9.365 -3.819 -6.990 1.00 0.00 C ATOM 178 O LEU A 13 9.943 -4.161 -8.021 1.00 0.00 O ATOM 179 CB LEU A 13 9.983 -1.434 -6.562 1.00 0.00 C ATOM 180 CG LEU A 13 10.612 -0.366 -5.663 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.467 1.011 -6.294 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.971 -0.387 -4.286 1.00 0.00 C ATOM 0 H LEU A 13 12.079 -2.928 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 13 9.488 -2.891 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.489 -1.417 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.942 -1.166 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 13 11.674 -0.587 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.919 1.759 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.968 1.022 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.410 1.239 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.430 0.378 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.903 -0.188 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.120 -1.366 -3.830 1.00 0.00 H new ATOM 194 N TYR A 14 8.151 -4.240 -6.655 1.00 0.00 N ATOM 195 CA TYR A 14 7.395 -5.187 -7.472 1.00 0.00 C ATOM 196 C TYR A 14 7.146 -4.607 -8.864 1.00 0.00 C ATOM 197 O TYR A 14 7.337 -5.288 -9.872 1.00 0.00 O ATOM 198 CB TYR A 14 6.066 -5.515 -6.779 1.00 0.00 C ATOM 199 CG TYR A 14 5.406 -6.791 -7.258 1.00 0.00 C ATOM 200 CD1 TYR A 14 5.728 -8.016 -6.686 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.452 -6.770 -8.265 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.113 -9.182 -7.104 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.836 -7.931 -8.690 1.00 0.00 C ATOM 204 CZ TYR A 14 4.169 -9.134 -8.107 1.00 0.00 C ATOM 205 OH TYR A 14 3.550 -10.295 -8.525 1.00 0.00 O ATOM 0 H TYR A 14 7.663 -3.937 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 14 7.972 -6.105 -7.585 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.240 -5.592 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.376 -4.685 -6.932 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.470 -8.058 -5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.186 -5.830 -8.725 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.371 -10.126 -6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.096 -7.896 -9.476 1.00 0.00 H new ATOM 0 HH TYR A 14 2.911 -10.086 -9.238 1.00 0.00 H new ATOM 215 N ARG A 15 6.705 -3.344 -8.895 1.00 0.00 N ATOM 216 CA ARG A 15 6.538 -2.579 -10.141 1.00 0.00 C ATOM 217 C ARG A 15 5.382 -3.090 -11.001 1.00 0.00 C ATOM 218 O ARG A 15 5.133 -2.567 -12.087 1.00 0.00 O ATOM 219 CB ARG A 15 7.835 -2.577 -10.958 1.00 0.00 C ATOM 220 CG ARG A 15 8.932 -1.715 -10.360 1.00 0.00 C ATOM 221 CD ARG A 15 10.239 -1.882 -11.115 1.00 0.00 C ATOM 222 NE ARG A 15 10.075 -1.672 -12.554 1.00 0.00 N ATOM 223 CZ ARG A 15 11.070 -1.745 -13.433 1.00 0.00 C ATOM 224 NH1 ARG A 15 12.313 -1.967 -13.025 1.00 0.00 N ATOM 225 NH2 ARG A 15 10.819 -1.589 -14.727 1.00 0.00 N ATOM 0 H ARG A 15 6.453 -2.821 -8.057 1.00 0.00 H new ATOM 0 HA ARG A 15 6.295 -1.559 -9.843 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.198 -3.601 -11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.618 -2.225 -11.967 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.628 -0.669 -10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.078 -1.982 -9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.974 -1.176 -10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.634 -2.882 -10.938 1.00 0.00 H new ATOM 0 HE ARG A 15 9.141 -1.457 -12.904 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.510 -2.083 -12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.071 -2.022 -13.705 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.865 -1.414 -15.044 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.580 -1.644 -15.404 1.00 0.00 H new ATOM 239 N LYS A 16 4.671 -4.091 -10.517 1.00 0.00 N ATOM 240 CA LYS A 16 3.543 -4.643 -11.250 1.00 0.00 C ATOM 241 C LYS A 16 2.283 -4.565 -10.398 1.00 0.00 C ATOM 242 O LYS A 16 2.369 -4.526 -9.170 1.00 0.00 O ATOM 243 CB LYS A 16 3.828 -6.097 -11.655 1.00 0.00 C ATOM 244 CG LYS A 16 5.011 -6.252 -12.603 1.00 0.00 C ATOM 245 CD LYS A 16 4.762 -5.555 -13.932 1.00 0.00 C ATOM 246 CE LYS A 16 3.671 -6.241 -14.740 1.00 0.00 C ATOM 247 NZ LYS A 16 4.083 -7.593 -15.196 1.00 0.00 N ATOM 0 H LYS A 16 4.853 -4.540 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 16 3.391 -4.058 -12.157 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.016 -6.684 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.939 -6.513 -12.128 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.906 -5.840 -12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.201 -7.311 -12.777 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.481 -4.518 -13.750 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.685 -5.538 -14.511 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.768 -6.322 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.420 -5.627 -15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.415 -7.935 -15.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.038 -7.546 -15.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.084 -8.247 -14.387 1.00 0.00 H new ATOM 261 N PRO A 17 1.103 -4.496 -11.034 1.00 0.00 N ATOM 262 CA PRO A 17 -0.177 -4.502 -10.320 1.00 0.00 C ATOM 263 C PRO A 17 -0.382 -5.789 -9.526 1.00 0.00 C ATOM 264 O PRO A 17 -0.092 -6.882 -10.020 1.00 0.00 O ATOM 265 CB PRO A 17 -1.222 -4.391 -11.438 1.00 0.00 C ATOM 266 CG PRO A 17 -0.479 -3.856 -12.613 1.00 0.00 C ATOM 267 CD PRO A 17 0.917 -4.389 -12.490 1.00 0.00 C ATOM 0 HA PRO A 17 -0.238 -3.696 -9.589 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.665 -5.361 -11.661 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.037 -3.726 -11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.940 -4.178 -13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.483 -2.766 -12.615 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.025 -5.355 -12.983 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.647 -3.717 -12.942 1.00 0.00 H new ATOM 275 N LEU A 18 -0.870 -5.656 -8.300 1.00 0.00 N ATOM 276 CA LEU A 18 -1.092 -6.807 -7.437 1.00 0.00 C ATOM 277 C LEU A 18 -2.470 -7.410 -7.687 1.00 0.00 C ATOM 278 O LEU A 18 -3.382 -6.729 -8.163 1.00 0.00 O ATOM 279 CB LEU A 18 -0.946 -6.418 -5.961 1.00 0.00 C ATOM 280 CG LEU A 18 0.458 -5.992 -5.533 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.481 -5.662 -4.048 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.469 -7.082 -5.855 1.00 0.00 C ATOM 0 H LEU A 18 -1.120 -4.760 -7.881 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.336 -7.555 -7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.636 -5.602 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.254 -7.265 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 18 0.733 -5.096 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.487 -5.360 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.215 -4.848 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.187 -6.541 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.463 -6.760 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.200 -7.996 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.470 -7.272 -6.928 1.00 0.00 H new ATOM 294 N SER A 19 -2.610 -8.689 -7.376 1.00 0.00 N ATOM 295 CA SER A 19 -3.875 -9.388 -7.535 1.00 0.00 C ATOM 296 C SER A 19 -4.886 -8.897 -6.501 1.00 0.00 C ATOM 297 O SER A 19 -4.544 -8.688 -5.337 1.00 0.00 O ATOM 298 CB SER A 19 -3.645 -10.892 -7.391 1.00 0.00 C ATOM 299 OG SER A 19 -2.631 -11.333 -8.283 1.00 0.00 O ATOM 0 H SER A 19 -1.855 -9.268 -7.009 1.00 0.00 H new ATOM 0 HA SER A 19 -4.279 -9.183 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.360 -11.125 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.572 -11.428 -7.593 1.00 0.00 H new ATOM 0 HG SER A 19 -2.497 -12.298 -8.175 1.00 0.00 H new ATOM 305 N ASP A 20 -6.130 -8.718 -6.924 1.00 0.00 N ATOM 306 CA ASP A 20 -7.162 -8.172 -6.049 1.00 0.00 C ATOM 307 C ASP A 20 -7.465 -9.130 -4.902 1.00 0.00 C ATOM 308 O ASP A 20 -7.856 -8.702 -3.813 1.00 0.00 O ATOM 309 CB ASP A 20 -8.440 -7.851 -6.838 1.00 0.00 C ATOM 310 CG ASP A 20 -9.368 -9.041 -7.020 1.00 0.00 C ATOM 311 OD1 ASP A 20 -8.962 -10.032 -7.662 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.513 -8.983 -6.522 1.00 0.00 O ATOM 0 H ASP A 20 -6.450 -8.942 -7.866 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.783 -7.242 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.981 -7.056 -6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.162 -7.466 -7.819 1.00 0.00 H new ATOM 317 N LYS A 21 -7.260 -10.421 -5.149 1.00 0.00 N ATOM 318 CA LYS A 21 -7.495 -11.445 -4.140 1.00 0.00 C ATOM 319 C LYS A 21 -6.585 -11.243 -2.934 1.00 0.00 C ATOM 320 O LYS A 21 -7.027 -11.340 -1.794 1.00 0.00 O ATOM 321 CB LYS A 21 -7.275 -12.836 -4.728 1.00 0.00 C ATOM 322 CG LYS A 21 -8.140 -13.128 -5.940 1.00 0.00 C ATOM 323 CD LYS A 21 -7.998 -14.567 -6.397 1.00 0.00 C ATOM 324 CE LYS A 21 -8.517 -15.540 -5.353 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.942 -15.285 -5.022 1.00 0.00 N ATOM 0 H LYS A 21 -6.930 -10.782 -6.044 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.530 -11.358 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.227 -12.942 -5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.477 -13.582 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.183 -12.924 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.863 -12.459 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.544 -14.708 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.950 -14.781 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.406 -16.560 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.914 -15.459 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.332 -16.103 -4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.013 -14.438 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.481 -15.135 -5.899 1.00 0.00 H new ATOM 339 N LEU A 22 -5.315 -10.963 -3.184 1.00 0.00 N ATOM 340 CA LEU A 22 -4.377 -10.714 -2.100 1.00 0.00 C ATOM 341 C LEU A 22 -4.647 -9.351 -1.473 1.00 0.00 C ATOM 342 O LEU A 22 -4.363 -9.134 -0.297 1.00 0.00 O ATOM 343 CB LEU A 22 -2.917 -10.845 -2.579 1.00 0.00 C ATOM 344 CG LEU A 22 -2.431 -9.819 -3.611 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.931 -8.549 -2.935 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.338 -10.421 -4.479 1.00 0.00 C ATOM 0 H LEU A 22 -4.913 -10.903 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.526 -11.474 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.267 -10.783 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.787 -11.841 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.278 -9.551 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.594 -7.842 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.740 -8.102 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.101 -8.793 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.003 -9.682 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.498 -10.719 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.728 -11.294 -5.002 1.00 0.00 H new ATOM 358 N LEU A 23 -5.215 -8.442 -2.263 1.00 0.00 N ATOM 359 CA LEU A 23 -5.506 -7.094 -1.795 1.00 0.00 C ATOM 360 C LEU A 23 -6.520 -7.102 -0.650 1.00 0.00 C ATOM 361 O LEU A 23 -6.443 -6.268 0.241 1.00 0.00 O ATOM 362 CB LEU A 23 -5.995 -6.201 -2.944 1.00 0.00 C ATOM 363 CG LEU A 23 -4.938 -5.861 -4.007 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.531 -4.984 -5.101 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.744 -5.166 -3.368 1.00 0.00 C ATOM 0 H LEU A 23 -5.482 -8.618 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.574 -6.678 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.834 -6.695 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.375 -5.270 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.601 -6.794 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.764 -4.757 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.355 -5.510 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.899 -4.056 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.006 -4.933 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.073 -4.244 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.297 -5.823 -2.622 1.00 0.00 H new ATOM 377 N ARG A 24 -7.446 -8.063 -0.642 1.00 0.00 N ATOM 378 CA ARG A 24 -8.448 -8.139 0.436 1.00 0.00 C ATOM 379 C ARG A 24 -7.796 -8.517 1.772 1.00 0.00 C ATOM 380 O ARG A 24 -8.462 -8.613 2.802 1.00 0.00 O ATOM 381 CB ARG A 24 -9.551 -9.151 0.102 1.00 0.00 C ATOM 382 CG ARG A 24 -9.102 -10.600 0.172 1.00 0.00 C ATOM 383 CD ARG A 24 -10.274 -11.555 0.020 1.00 0.00 C ATOM 384 NE ARG A 24 -11.248 -11.404 1.104 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.409 -12.054 1.161 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.727 -12.933 0.221 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.249 -11.832 2.165 1.00 0.00 N ATOM 0 H ARG A 24 -7.528 -8.789 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.895 -7.149 0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.384 -9.006 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.927 -8.946 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.370 -10.793 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.604 -10.782 1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.765 -11.377 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.906 -12.581 0.003 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.023 -10.761 1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.082 -13.113 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.617 -13.429 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.006 -11.162 2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.138 -12.331 2.206 1.00 0.00 H new ATOM 401 N LYS A 25 -6.490 -8.728 1.732 1.00 0.00 N ATOM 402 CA LYS A 25 -5.717 -9.110 2.905 1.00 0.00 C ATOM 403 C LYS A 25 -4.658 -8.058 3.223 1.00 0.00 C ATOM 404 O LYS A 25 -3.838 -8.239 4.131 1.00 0.00 O ATOM 405 CB LYS A 25 -5.051 -10.464 2.681 1.00 0.00 C ATOM 406 CG LYS A 25 -6.047 -11.598 2.499 1.00 0.00 C ATOM 407 CD LYS A 25 -5.349 -12.919 2.225 1.00 0.00 C ATOM 408 CE LYS A 25 -4.550 -12.867 0.937 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.847 -14.148 0.662 1.00 0.00 N ATOM 0 H LYS A 25 -5.933 -8.639 0.882 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.399 -9.183 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.411 -10.406 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.405 -10.689 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.662 -11.690 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.719 -11.363 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.687 -13.161 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.089 -13.717 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.217 -12.635 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.821 -12.059 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.314 -14.067 -0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.191 -14.358 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.544 -14.916 0.579 1.00 0.00 H new ATOM 423 N VAL A 26 -4.670 -6.967 2.468 1.00 0.00 N ATOM 424 CA VAL A 26 -3.746 -5.868 2.702 1.00 0.00 C ATOM 425 C VAL A 26 -4.374 -4.883 3.673 1.00 0.00 C ATOM 426 O VAL A 26 -5.270 -4.129 3.311 1.00 0.00 O ATOM 427 CB VAL A 26 -3.372 -5.137 1.399 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.337 -4.060 1.667 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.859 -6.117 0.358 1.00 0.00 C ATOM 0 H VAL A 26 -5.311 -6.821 1.688 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.830 -6.286 3.120 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.272 -4.662 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.087 -3.556 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.741 -3.335 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.439 -4.514 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.601 -5.578 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.974 -6.625 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.633 -6.852 0.138 1.00 0.00 H new ATOM 439 N ILE A 27 -3.901 -4.904 4.906 1.00 0.00 N ATOM 440 CA ILE A 27 -4.550 -4.168 5.980 1.00 0.00 C ATOM 441 C ILE A 27 -4.030 -2.741 6.113 1.00 0.00 C ATOM 442 O ILE A 27 -4.730 -1.875 6.639 1.00 0.00 O ATOM 443 CB ILE A 27 -4.384 -4.900 7.328 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.902 -5.174 7.609 1.00 0.00 C ATOM 445 CG2 ILE A 27 -5.183 -6.195 7.329 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.649 -5.886 8.919 1.00 0.00 C ATOM 0 H ILE A 27 -3.070 -5.422 5.190 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.607 -4.116 5.717 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.769 -4.260 8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.493 -5.773 6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.361 -4.228 7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.056 -6.700 8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.238 -5.971 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.828 -6.842 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.578 -6.044 9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.027 -5.279 9.742 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.160 -6.849 8.914 1.00 0.00 H new ATOM 458 N GLN A 28 -2.810 -2.488 5.645 1.00 0.00 N ATOM 459 CA GLN A 28 -2.200 -1.168 5.801 1.00 0.00 C ATOM 460 C GLN A 28 -1.394 -0.766 4.574 1.00 0.00 C ATOM 461 O GLN A 28 -0.932 -1.614 3.814 1.00 0.00 O ATOM 462 CB GLN A 28 -1.303 -1.122 7.048 1.00 0.00 C ATOM 463 CG GLN A 28 -2.073 -1.215 8.358 1.00 0.00 C ATOM 464 CD GLN A 28 -2.989 -0.026 8.587 1.00 0.00 C ATOM 465 OE1 GLN A 28 -3.442 0.620 7.645 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.299 0.250 9.839 1.00 0.00 N ATOM 0 H GLN A 28 -2.229 -3.171 5.159 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.016 -0.455 5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.586 -1.941 6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.730 -0.195 7.039 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.665 -2.130 8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.367 -1.289 9.185 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.904 -0.307 10.597 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.933 1.021 10.049 1.00 0.00 H new ATOM 475 N VAL A 29 -1.235 0.538 4.394 1.00 0.00 N ATOM 476 CA VAL A 29 -0.430 1.081 3.309 1.00 0.00 C ATOM 477 C VAL A 29 0.747 1.850 3.896 1.00 0.00 C ATOM 478 O VAL A 29 0.556 2.749 4.713 1.00 0.00 O ATOM 479 CB VAL A 29 -1.256 2.024 2.409 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.442 2.473 1.201 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.553 1.355 1.979 1.00 0.00 C ATOM 0 H VAL A 29 -1.658 1.246 4.993 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.077 0.251 2.697 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.511 2.912 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.046 3.137 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.449 3.002 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.146 1.601 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.121 2.036 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.326 0.446 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.142 1.103 2.861 1.00 0.00 H new ATOM 491 N GLU A 30 1.952 1.493 3.487 1.00 0.00 N ATOM 492 CA GLU A 30 3.157 2.054 4.075 1.00 0.00 C ATOM 493 C GLU A 30 3.881 2.929 3.063 1.00 0.00 C ATOM 494 O GLU A 30 4.246 2.475 1.981 1.00 0.00 O ATOM 495 CB GLU A 30 4.070 0.921 4.545 1.00 0.00 C ATOM 496 CG GLU A 30 3.298 -0.308 5.000 1.00 0.00 C ATOM 497 CD GLU A 30 4.156 -1.304 5.758 1.00 0.00 C ATOM 498 OE1 GLU A 30 4.452 -1.043 6.947 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.507 -2.356 5.186 1.00 0.00 O ATOM 0 H GLU A 30 2.123 0.813 2.746 1.00 0.00 H new ATOM 0 HA GLU A 30 2.883 2.673 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.742 0.642 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.692 1.278 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.469 0.006 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.864 -0.800 4.129 1.00 0.00 H new ATOM 506 N LEU A 31 4.087 4.185 3.413 1.00 0.00 N ATOM 507 CA LEU A 31 4.687 5.131 2.495 1.00 0.00 C ATOM 508 C LEU A 31 6.161 5.351 2.808 1.00 0.00 C ATOM 509 O LEU A 31 6.526 5.864 3.868 1.00 0.00 O ATOM 510 CB LEU A 31 3.921 6.459 2.516 1.00 0.00 C ATOM 511 CG LEU A 31 4.479 7.561 1.604 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.773 7.017 0.216 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.491 8.710 1.511 1.00 0.00 C ATOM 0 H LEU A 31 3.847 4.572 4.326 1.00 0.00 H new ATOM 0 HA LEU A 31 4.623 4.710 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.887 6.266 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.905 6.833 3.540 1.00 0.00 H new ATOM 0 HG LEU A 31 5.412 7.923 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.167 7.816 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.508 6.215 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.855 6.629 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.896 9.486 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.549 8.348 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.318 9.122 2.505 1.00 0.00 H new ATOM 525 N GLN A 32 6.995 4.934 1.876 1.00 0.00 N ATOM 526 CA GLN A 32 8.422 5.178 1.946 1.00 0.00 C ATOM 527 C GLN A 32 8.730 6.487 1.243 1.00 0.00 C ATOM 528 O GLN A 32 8.429 6.638 0.062 1.00 0.00 O ATOM 529 CB GLN A 32 9.179 4.037 1.267 1.00 0.00 C ATOM 530 CG GLN A 32 10.686 4.149 1.378 1.00 0.00 C ATOM 531 CD GLN A 32 11.401 3.141 0.505 1.00 0.00 C ATOM 532 OE1 GLN A 32 12.466 2.653 0.848 1.00 0.00 O ATOM 533 NE2 GLN A 32 10.835 2.841 -0.647 1.00 0.00 N ATOM 0 H GLN A 32 6.702 4.416 1.048 1.00 0.00 H new ATOM 0 HA GLN A 32 8.734 5.235 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.861 3.091 1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.903 4.008 0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.995 5.155 1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.984 4.003 2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.944 3.267 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.288 2.183 -1.282 1.00 0.00 H new ATOM 542 N GLU A 33 9.303 7.430 1.963 1.00 0.00 N ATOM 543 CA GLU A 33 9.620 8.720 1.383 1.00 0.00 C ATOM 544 C GLU A 33 11.078 8.750 0.938 1.00 0.00 C ATOM 545 O GLU A 33 11.908 8.020 1.479 1.00 0.00 O ATOM 546 CB GLU A 33 9.324 9.832 2.382 1.00 0.00 C ATOM 547 CG GLU A 33 7.866 9.875 2.817 1.00 0.00 C ATOM 548 CD GLU A 33 7.564 11.037 3.736 1.00 0.00 C ATOM 549 OE1 GLU A 33 7.788 10.911 4.955 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.110 12.091 3.244 1.00 0.00 O ATOM 0 H GLU A 33 9.558 7.329 2.946 1.00 0.00 H new ATOM 0 HA GLU A 33 8.995 8.882 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.955 9.699 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.593 10.791 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.230 9.941 1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.615 8.943 3.323 1.00 0.00 H new ATOM 557 N ALA A 34 11.377 9.616 -0.028 1.00 0.00 N ATOM 558 CA ALA A 34 12.687 9.651 -0.693 1.00 0.00 C ATOM 559 C ALA A 34 13.848 9.900 0.273 1.00 0.00 C ATOM 560 O ALA A 34 15.013 9.710 -0.085 1.00 0.00 O ATOM 561 CB ALA A 34 12.687 10.710 -1.784 1.00 0.00 C ATOM 0 H ALA A 34 10.721 10.315 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 34 12.844 8.663 -1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.661 10.730 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.918 10.475 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.482 11.686 -1.344 1.00 0.00 H new ATOM 567 N ASP A 35 13.530 10.328 1.483 1.00 0.00 N ATOM 568 CA ASP A 35 14.536 10.541 2.516 1.00 0.00 C ATOM 569 C ASP A 35 13.922 10.285 3.882 1.00 0.00 C ATOM 570 O ASP A 35 14.517 10.574 4.922 1.00 0.00 O ATOM 571 CB ASP A 35 15.126 11.955 2.445 1.00 0.00 C ATOM 572 CG ASP A 35 14.124 13.047 2.758 1.00 0.00 C ATOM 573 OD1 ASP A 35 13.415 13.493 1.830 1.00 0.00 O ATOM 574 OD2 ASP A 35 14.057 13.484 3.927 1.00 0.00 O ATOM 0 H ASP A 35 12.576 10.537 1.778 1.00 0.00 H new ATOM 0 HA ASP A 35 15.354 9.841 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.960 12.027 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 35 15.531 12.121 1.447 1.00 0.00 H new ATOM 579 N GLY A 36 12.733 9.704 3.863 1.00 0.00 N ATOM 580 CA GLY A 36 12.038 9.376 5.086 1.00 0.00 C ATOM 581 C GLY A 36 12.223 7.921 5.446 1.00 0.00 C ATOM 582 O GLY A 36 11.537 7.053 4.899 1.00 0.00 O ATOM 0 H GLY A 36 12.233 9.452 3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.407 10.004 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.976 9.593 4.973 1.00 0.00 H new ATOM 586 N ASP A 37 13.184 7.664 6.338 1.00 0.00 N ATOM 587 CA ASP A 37 13.534 6.308 6.781 1.00 0.00 C ATOM 588 C ASP A 37 14.318 5.548 5.720 1.00 0.00 C ATOM 589 O ASP A 37 14.861 4.476 5.995 1.00 0.00 O ATOM 590 CB ASP A 37 12.298 5.498 7.192 1.00 0.00 C ATOM 591 CG ASP A 37 11.878 5.776 8.617 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.156 6.770 8.849 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.272 5.003 9.514 1.00 0.00 O ATOM 0 H ASP A 37 13.745 8.394 6.777 1.00 0.00 H new ATOM 0 HA ASP A 37 14.169 6.433 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.473 5.733 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.509 4.435 7.079 1.00 0.00 H new ATOM 598 N CYS A 38 14.390 6.102 4.518 1.00 0.00 N ATOM 599 CA CYS A 38 15.113 5.460 3.433 1.00 0.00 C ATOM 600 C CYS A 38 15.596 6.497 2.424 1.00 0.00 C ATOM 601 O CYS A 38 15.584 7.695 2.705 1.00 0.00 O ATOM 602 CB CYS A 38 14.230 4.425 2.745 1.00 0.00 C ATOM 603 SG CYS A 38 15.169 3.103 1.907 1.00 0.00 S ATOM 0 H CYS A 38 13.957 6.992 4.271 1.00 0.00 H new ATOM 0 HA CYS A 38 15.983 4.954 3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.568 3.975 3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.597 4.928 2.014 1.00 0.00 H new ATOM 608 N HIS A 39 16.029 6.031 1.256 1.00 0.00 N ATOM 609 CA HIS A 39 16.612 6.908 0.245 1.00 0.00 C ATOM 610 C HIS A 39 15.852 6.842 -1.080 1.00 0.00 C ATOM 611 O HIS A 39 16.386 7.206 -2.127 1.00 0.00 O ATOM 612 CB HIS A 39 18.085 6.547 0.026 1.00 0.00 C ATOM 613 CG HIS A 39 18.324 5.110 -0.353 1.00 0.00 C ATOM 614 ND1 HIS A 39 18.569 4.122 0.574 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.353 4.500 -1.562 1.00 0.00 C ATOM 616 CE1 HIS A 39 18.741 2.969 -0.044 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.614 3.167 -1.343 1.00 0.00 N ATOM 0 H HIS A 39 15.987 5.048 0.986 1.00 0.00 H new ATOM 0 HA HIS A 39 16.537 7.931 0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.491 7.189 -0.756 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.640 6.766 0.938 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.200 4.973 -2.521 1.00 0.00 H new ATOM 0 HE1 HIS A 39 18.950 2.023 0.433 1.00 0.00 H new ATOM 0 HE2 HIS A 39 18.696 2.451 -2.065 1.00 0.00 H new ATOM 626 N LEU A 40 14.613 6.379 -1.032 1.00 0.00 N ATOM 627 CA LEU A 40 13.766 6.342 -2.217 1.00 0.00 C ATOM 628 C LEU A 40 12.308 6.357 -1.805 1.00 0.00 C ATOM 629 O LEU A 40 11.986 6.068 -0.658 1.00 0.00 O ATOM 630 CB LEU A 40 14.043 5.099 -3.065 1.00 0.00 C ATOM 631 CG LEU A 40 13.591 3.774 -2.453 1.00 0.00 C ATOM 632 CD1 LEU A 40 12.945 2.902 -3.517 1.00 0.00 C ATOM 633 CD2 LEU A 40 14.764 3.049 -1.811 1.00 0.00 C ATOM 0 H LEU A 40 14.170 6.023 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 40 13.992 7.222 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.550 5.221 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.114 5.044 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 40 12.856 3.984 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.626 1.960 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.080 3.417 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.665 2.702 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.419 2.108 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.524 2.847 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.191 3.672 -1.025 1.00 0.00 H new ATOM 645 N GLN A 41 11.431 6.695 -2.733 1.00 0.00 N ATOM 646 CA GLN A 41 10.008 6.715 -2.450 1.00 0.00 C ATOM 647 C GLN A 41 9.332 5.465 -3.005 1.00 0.00 C ATOM 648 O GLN A 41 9.639 5.022 -4.112 1.00 0.00 O ATOM 649 CB GLN A 41 9.356 7.967 -3.040 1.00 0.00 C ATOM 650 CG GLN A 41 7.886 8.096 -2.680 1.00 0.00 C ATOM 651 CD GLN A 41 7.197 9.244 -3.390 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.629 9.535 -4.609 1.00 0.00 O flip ATOM 653 NE2 GLN A 41 6.274 9.857 -2.852 1.00 0.00 N flip ATOM 0 H GLN A 41 11.679 6.959 -3.687 1.00 0.00 H new ATOM 0 HA GLN A 41 9.880 6.732 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.890 8.849 -2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.458 7.946 -4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.375 7.165 -2.927 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.793 8.235 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.972 9.601 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.812 10.620 -3.347 1.00 0.00 H new ATOM 662 N ALA A 42 8.420 4.898 -2.224 1.00 0.00 N ATOM 663 CA ALA A 42 7.612 3.766 -2.664 1.00 0.00 C ATOM 664 C ALA A 42 6.384 3.616 -1.791 1.00 0.00 C ATOM 665 O ALA A 42 6.423 3.895 -0.595 1.00 0.00 O ATOM 666 CB ALA A 42 8.401 2.465 -2.650 1.00 0.00 C ATOM 0 H ALA A 42 8.220 5.208 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 42 7.310 3.972 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.762 1.648 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.258 2.552 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.749 2.262 -1.637 1.00 0.00 H new ATOM 672 N PHE A 43 5.299 3.182 -2.392 1.00 0.00 N ATOM 673 CA PHE A 43 4.104 2.857 -1.648 1.00 0.00 C ATOM 674 C PHE A 43 4.057 1.358 -1.419 1.00 0.00 C ATOM 675 O PHE A 43 3.750 0.583 -2.322 1.00 0.00 O ATOM 676 CB PHE A 43 2.856 3.324 -2.385 1.00 0.00 C ATOM 677 CG PHE A 43 2.545 4.781 -2.205 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.157 5.741 -2.992 1.00 0.00 C ATOM 679 CD2 PHE A 43 1.622 5.185 -1.256 1.00 0.00 C ATOM 680 CE1 PHE A 43 2.855 7.079 -2.834 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.317 6.521 -1.092 1.00 0.00 C ATOM 682 CZ PHE A 43 1.934 7.469 -1.883 1.00 0.00 C ATOM 0 H PHE A 43 5.220 3.046 -3.400 1.00 0.00 H new ATOM 0 HA PHE A 43 4.130 3.373 -0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.977 3.118 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.004 2.737 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.878 5.440 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.135 4.446 -0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.339 7.819 -3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.597 6.824 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.696 8.515 -1.758 1.00 0.00 H new ATOM 692 N VAL A 44 4.396 0.959 -0.215 1.00 0.00 N ATOM 693 CA VAL A 44 4.499 -0.442 0.129 1.00 0.00 C ATOM 694 C VAL A 44 3.204 -0.907 0.785 1.00 0.00 C ATOM 695 O VAL A 44 2.626 -0.195 1.598 1.00 0.00 O ATOM 696 CB VAL A 44 5.711 -0.670 1.059 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.870 -2.139 1.434 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.967 -0.142 0.381 1.00 0.00 C ATOM 0 H VAL A 44 4.608 1.595 0.554 1.00 0.00 H new ATOM 0 HA VAL A 44 4.654 -1.030 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 44 5.543 -0.126 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.734 -2.256 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.974 -2.482 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.017 -2.731 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.826 -0.300 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.123 -0.671 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.853 0.924 0.183 1.00 0.00 H new ATOM 708 N LEU A 45 2.726 -2.074 0.404 1.00 0.00 N ATOM 709 CA LEU A 45 1.457 -2.564 0.908 1.00 0.00 C ATOM 710 C LEU A 45 1.661 -3.611 1.986 1.00 0.00 C ATOM 711 O LEU A 45 2.317 -4.631 1.770 1.00 0.00 O ATOM 712 CB LEU A 45 0.602 -3.110 -0.234 1.00 0.00 C ATOM 713 CG LEU A 45 0.092 -2.036 -1.191 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.817 -2.629 -2.252 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.631 -0.948 -0.415 1.00 0.00 C ATOM 0 H LEU A 45 3.195 -2.700 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 45 0.927 -1.726 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.187 -3.837 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.251 -3.643 0.186 1.00 0.00 H new ATOM 0 HG LEU A 45 0.951 -1.597 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.163 -1.838 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.267 -3.373 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.675 -3.102 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.991 -0.186 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.476 -1.382 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.055 -0.494 0.300 1.00 0.00 H new ATOM 727 N HIS A 46 1.077 -3.350 3.141 1.00 0.00 N ATOM 728 CA HIS A 46 1.258 -4.204 4.298 1.00 0.00 C ATOM 729 C HIS A 46 0.080 -5.153 4.448 1.00 0.00 C ATOM 730 O HIS A 46 -1.009 -4.758 4.869 1.00 0.00 O ATOM 731 CB HIS A 46 1.422 -3.355 5.563 1.00 0.00 C ATOM 732 CG HIS A 46 1.632 -4.153 6.817 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.727 -4.787 7.301 1.00 0.00 N flip ATOM 734 CD2 HIS A 46 0.632 -4.362 7.743 1.00 0.00 C flip ATOM 735 CE1 HIS A 46 2.368 -5.356 8.500 1.00 0.00 C flip ATOM 736 NE2 HIS A 46 1.103 -5.086 8.739 1.00 0.00 N flip ATOM 0 H HIS A 46 0.469 -2.547 3.302 1.00 0.00 H new ATOM 0 HA HIS A 46 2.162 -4.796 4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.269 -2.682 5.428 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.536 -2.732 5.686 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.645 -4.833 6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.379 -3.991 7.665 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.019 -5.931 9.142 1.00 0.00 H new ATOM 745 N LEU A 47 0.305 -6.402 4.090 1.00 0.00 N ATOM 746 CA LEU A 47 -0.691 -7.439 4.251 1.00 0.00 C ATOM 747 C LEU A 47 -0.658 -7.942 5.686 1.00 0.00 C ATOM 748 O LEU A 47 0.246 -7.600 6.448 1.00 0.00 O ATOM 749 CB LEU A 47 -0.446 -8.602 3.277 1.00 0.00 C ATOM 750 CG LEU A 47 -0.580 -8.260 1.787 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.653 -7.533 1.268 1.00 0.00 C ATOM 752 CD2 LEU A 47 -0.839 -9.518 0.976 1.00 0.00 C ATOM 0 H LEU A 47 1.182 -6.724 3.680 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.672 -7.021 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.556 -8.994 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.147 -9.403 3.512 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.431 -7.588 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.523 -7.307 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.789 -6.605 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.531 -8.166 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.932 -9.258 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.009 -10.213 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.762 -9.987 1.317 1.00 0.00 H new ATOM 764 N ALA A 48 -1.624 -8.771 6.040 1.00 0.00 N ATOM 765 CA ALA A 48 -1.774 -9.240 7.415 1.00 0.00 C ATOM 766 C ALA A 48 -0.577 -10.070 7.884 1.00 0.00 C ATOM 767 O ALA A 48 -0.397 -10.286 9.082 1.00 0.00 O ATOM 768 CB ALA A 48 -3.059 -10.042 7.558 1.00 0.00 C ATOM 0 H ALA A 48 -2.322 -9.138 5.393 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.822 -8.357 8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.160 -10.387 8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.911 -9.413 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.028 -10.902 6.889 1.00 0.00 H new ATOM 774 N GLN A 49 0.247 -10.534 6.947 1.00 0.00 N ATOM 775 CA GLN A 49 1.369 -11.397 7.304 1.00 0.00 C ATOM 776 C GLN A 49 2.650 -11.010 6.562 1.00 0.00 C ATOM 777 O GLN A 49 3.661 -11.701 6.685 1.00 0.00 O ATOM 778 CB GLN A 49 1.043 -12.869 7.006 1.00 0.00 C ATOM 779 CG GLN A 49 -0.243 -13.373 7.650 1.00 0.00 C ATOM 780 CD GLN A 49 -1.385 -13.525 6.665 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.371 -12.734 5.609 1.00 0.00 O flip ATOM 782 NE2 GLN A 49 -2.273 -14.357 6.846 1.00 0.00 N flip ATOM 0 H GLN A 49 0.161 -10.331 5.951 1.00 0.00 H new ATOM 0 HA GLN A 49 1.535 -11.265 8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.970 -13.001 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.873 -13.488 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.051 -14.335 8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.542 -12.682 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.253 -14.953 7.674 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.029 -14.451 6.168 1.00 0.00 H new ATOM 791 N ARG A 50 2.627 -9.907 5.811 1.00 0.00 N ATOM 792 CA ARG A 50 3.765 -9.562 4.953 1.00 0.00 C ATOM 793 C ARG A 50 3.616 -8.162 4.361 1.00 0.00 C ATOM 794 O ARG A 50 2.612 -7.501 4.587 1.00 0.00 O ATOM 795 CB ARG A 50 3.891 -10.586 3.822 1.00 0.00 C ATOM 796 CG ARG A 50 2.725 -10.565 2.846 1.00 0.00 C ATOM 797 CD ARG A 50 2.932 -11.547 1.707 1.00 0.00 C ATOM 798 NE ARG A 50 4.227 -11.354 1.052 1.00 0.00 N ATOM 799 CZ ARG A 50 4.616 -11.988 -0.052 1.00 0.00 C ATOM 800 NH1 ARG A 50 3.784 -12.807 -0.689 1.00 0.00 N ATOM 801 NH2 ARG A 50 5.837 -11.783 -0.534 1.00 0.00 N ATOM 0 H ARG A 50 1.849 -9.248 5.778 1.00 0.00 H new ATOM 0 HA ARG A 50 4.665 -9.576 5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.815 -10.398 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.974 -11.583 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.803 -10.809 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.605 -9.559 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.866 -12.566 2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.133 -11.428 0.975 1.00 0.00 H new ATOM 0 HE ARG A 50 4.876 -10.688 1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.840 -12.953 -0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.090 -13.289 -1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.472 -11.142 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.139 -12.267 -1.380 1.00 0.00 H new ATOM 815 N SER A 51 4.615 -7.728 3.597 1.00 0.00 N ATOM 816 CA SER A 51 4.575 -6.430 2.925 1.00 0.00 C ATOM 817 C SER A 51 5.168 -6.529 1.519 1.00 0.00 C ATOM 818 O SER A 51 6.200 -7.174 1.312 1.00 0.00 O ATOM 819 CB SER A 51 5.333 -5.372 3.737 1.00 0.00 C ATOM 820 OG SER A 51 4.669 -5.076 4.955 1.00 0.00 O ATOM 0 H SER A 51 5.468 -8.260 3.426 1.00 0.00 H new ATOM 0 HA SER A 51 3.531 -6.128 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.341 -5.728 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.434 -4.462 3.146 1.00 0.00 H new ATOM 0 HG SER A 51 4.528 -4.109 5.024 1.00 0.00 H new ATOM 826 N ILE A 52 4.502 -5.906 0.557 1.00 0.00 N ATOM 827 CA ILE A 52 4.967 -5.885 -0.828 1.00 0.00 C ATOM 828 C ILE A 52 5.260 -4.447 -1.245 1.00 0.00 C ATOM 829 O ILE A 52 4.482 -3.549 -0.945 1.00 0.00 O ATOM 830 CB ILE A 52 3.914 -6.489 -1.785 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.533 -7.905 -1.336 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.443 -6.516 -3.217 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.408 -8.515 -2.144 1.00 0.00 C ATOM 0 H ILE A 52 3.628 -5.402 0.710 1.00 0.00 H new ATOM 0 HA ILE A 52 5.873 -6.488 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 52 3.024 -5.860 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.410 -8.548 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.242 -7.878 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.688 -6.944 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.672 -5.500 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.348 -7.123 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.193 -9.516 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.517 -7.894 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.703 -8.575 -3.192 1.00 0.00 H new ATOM 845 N CYS A 53 6.352 -4.228 -1.961 1.00 0.00 N ATOM 846 CA CYS A 53 6.808 -2.874 -2.232 1.00 0.00 C ATOM 847 C CYS A 53 6.440 -2.438 -3.645 1.00 0.00 C ATOM 848 O CYS A 53 6.832 -3.062 -4.630 1.00 0.00 O ATOM 849 CB CYS A 53 8.317 -2.793 -2.032 1.00 0.00 C ATOM 850 SG CYS A 53 8.876 -3.406 -0.412 1.00 0.00 S ATOM 0 H CYS A 53 6.934 -4.963 -2.362 1.00 0.00 H new ATOM 0 HA CYS A 53 6.311 -2.198 -1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.810 -3.367 -2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.635 -1.757 -2.147 1.00 0.00 H new ATOM 855 N ILE A 54 5.688 -1.354 -3.732 1.00 0.00 N ATOM 856 CA ILE A 54 5.175 -0.872 -5.000 1.00 0.00 C ATOM 857 C ILE A 54 5.745 0.505 -5.355 1.00 0.00 C ATOM 858 O ILE A 54 5.843 1.392 -4.508 1.00 0.00 O ATOM 859 CB ILE A 54 3.627 -0.828 -4.964 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.050 -2.231 -5.160 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.073 0.128 -6.000 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.537 -2.276 -5.162 1.00 0.00 C ATOM 0 H ILE A 54 5.418 -0.786 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 54 5.494 -1.566 -5.777 1.00 0.00 H new ATOM 0 HB ILE A 54 3.326 -0.459 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.417 -2.636 -6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.422 -2.880 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.984 0.133 -5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.450 1.132 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.385 -0.192 -6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.204 -3.304 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.161 -1.902 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.156 -1.654 -5.972 1.00 0.00 H new ATOM 874 N HIS A 55 6.151 0.657 -6.614 1.00 0.00 N ATOM 875 CA HIS A 55 6.580 1.948 -7.144 1.00 0.00 C ATOM 876 C HIS A 55 5.427 2.945 -7.038 1.00 0.00 C ATOM 877 O HIS A 55 4.316 2.632 -7.447 1.00 0.00 O ATOM 878 CB HIS A 55 7.019 1.778 -8.606 1.00 0.00 C ATOM 879 CG HIS A 55 7.540 3.027 -9.253 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.836 3.731 -10.210 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.717 3.681 -9.099 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.559 4.760 -10.612 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.698 4.750 -9.954 1.00 0.00 N ATOM 0 H HIS A 55 6.192 -0.105 -7.290 1.00 0.00 H new ATOM 0 HA HIS A 55 7.425 2.327 -6.569 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.792 1.011 -8.652 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.172 1.411 -9.185 1.00 0.00 H new ATOM 0 HD1 HIS A 55 5.905 3.494 -10.552 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.519 3.410 -8.428 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.265 5.487 -11.355 1.00 0.00 H new ATOM 892 N PRO A 56 5.675 4.147 -6.487 1.00 0.00 N ATOM 893 CA PRO A 56 4.621 5.139 -6.224 1.00 0.00 C ATOM 894 C PRO A 56 3.727 5.379 -7.431 1.00 0.00 C ATOM 895 O PRO A 56 2.501 5.373 -7.322 1.00 0.00 O ATOM 896 CB PRO A 56 5.399 6.404 -5.871 1.00 0.00 C ATOM 897 CG PRO A 56 6.691 5.909 -5.329 1.00 0.00 C ATOM 898 CD PRO A 56 7.001 4.640 -6.077 1.00 0.00 C ATOM 0 HA PRO A 56 3.943 4.808 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.552 7.033 -6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.865 7.006 -5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.481 6.647 -5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.618 5.722 -4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.642 4.829 -6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.519 3.919 -5.445 1.00 0.00 H new ATOM 906 N GLN A 57 4.342 5.591 -8.586 1.00 0.00 N ATOM 907 CA GLN A 57 3.583 5.704 -9.817 1.00 0.00 C ATOM 908 C GLN A 57 3.208 4.308 -10.304 1.00 0.00 C ATOM 909 O GLN A 57 3.904 3.715 -11.129 1.00 0.00 O ATOM 910 CB GLN A 57 4.379 6.458 -10.890 1.00 0.00 C ATOM 911 CG GLN A 57 4.851 7.840 -10.452 1.00 0.00 C ATOM 912 CD GLN A 57 3.714 8.743 -10.009 1.00 0.00 C ATOM 913 OE1 GLN A 57 3.125 9.469 -10.813 1.00 0.00 O ATOM 914 NE2 GLN A 57 3.403 8.706 -8.724 1.00 0.00 N ATOM 0 H GLN A 57 5.352 5.687 -8.694 1.00 0.00 H new ATOM 0 HA GLN A 57 2.675 6.276 -9.623 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.246 5.861 -11.172 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.760 6.562 -11.781 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.562 7.732 -9.633 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.384 8.314 -11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.916 8.091 -8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.650 9.293 -8.364 1.00 0.00 H new ATOM 923 N ASN A 58 2.156 3.759 -9.709 1.00 0.00 N ATOM 924 CA ASN A 58 1.643 2.451 -10.073 1.00 0.00 C ATOM 925 C ASN A 58 0.129 2.435 -9.911 1.00 0.00 C ATOM 926 O ASN A 58 -0.390 2.780 -8.845 1.00 0.00 O ATOM 927 CB ASN A 58 2.279 1.385 -9.178 1.00 0.00 C ATOM 928 CG ASN A 58 1.943 -0.039 -9.571 1.00 0.00 C ATOM 929 OD1 ASN A 58 0.865 -0.340 -10.079 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.878 -0.932 -9.326 1.00 0.00 N ATOM 0 H ASN A 58 1.635 4.213 -8.958 1.00 0.00 H new ATOM 0 HA ASN A 58 1.892 2.237 -11.112 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.362 1.509 -9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.958 1.551 -8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.720 -1.912 -9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.760 -0.644 -8.903 1.00 0.00 H new ATOM 937 N PRO A 59 -0.596 2.054 -10.972 1.00 0.00 N ATOM 938 CA PRO A 59 -2.056 1.937 -10.950 1.00 0.00 C ATOM 939 C PRO A 59 -2.567 1.087 -9.790 1.00 0.00 C ATOM 940 O PRO A 59 -3.597 1.396 -9.197 1.00 0.00 O ATOM 941 CB PRO A 59 -2.393 1.257 -12.287 1.00 0.00 C ATOM 942 CG PRO A 59 -1.087 0.796 -12.848 1.00 0.00 C ATOM 943 CD PRO A 59 -0.052 1.727 -12.295 1.00 0.00 C ATOM 0 HA PRO A 59 -2.525 2.912 -10.818 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.073 0.418 -12.139 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.887 1.952 -12.966 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.880 -0.234 -12.559 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.097 0.826 -13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.926 1.252 -12.226 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.068 2.615 -12.915 1.00 0.00 H new ATOM 951 N SER A 60 -1.833 0.031 -9.459 1.00 0.00 N ATOM 952 CA SER A 60 -2.262 -0.908 -8.430 1.00 0.00 C ATOM 953 C SER A 60 -2.381 -0.230 -7.072 1.00 0.00 C ATOM 954 O SER A 60 -3.238 -0.590 -6.273 1.00 0.00 O ATOM 955 CB SER A 60 -1.283 -2.080 -8.341 1.00 0.00 C ATOM 956 OG SER A 60 -1.706 -3.044 -7.392 1.00 0.00 O ATOM 0 H SER A 60 -0.937 -0.196 -9.889 1.00 0.00 H new ATOM 0 HA SER A 60 -3.247 -1.280 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.188 -2.550 -9.320 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.295 -1.709 -8.068 1.00 0.00 H new ATOM 0 HG SER A 60 -1.023 -3.140 -6.696 1.00 0.00 H new ATOM 962 N LEU A 61 -1.530 0.751 -6.817 1.00 0.00 N ATOM 963 CA LEU A 61 -1.528 1.429 -5.531 1.00 0.00 C ATOM 964 C LEU A 61 -2.649 2.470 -5.488 1.00 0.00 C ATOM 965 O LEU A 61 -3.428 2.518 -4.535 1.00 0.00 O ATOM 966 CB LEU A 61 -0.161 2.078 -5.287 1.00 0.00 C ATOM 967 CG LEU A 61 0.224 2.330 -3.819 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.709 3.331 -3.161 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.242 1.028 -3.027 1.00 0.00 C ATOM 0 H LEU A 61 -0.835 1.094 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.708 0.704 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.603 1.444 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.136 3.031 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 61 1.229 2.753 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.406 3.484 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.662 4.279 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.730 2.949 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.517 1.235 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.747 0.571 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.969 0.345 -3.466 1.00 0.00 H new ATOM 981 N SER A 62 -2.731 3.289 -6.534 1.00 0.00 N ATOM 982 CA SER A 62 -3.760 4.322 -6.627 1.00 0.00 C ATOM 983 C SER A 62 -5.154 3.686 -6.588 1.00 0.00 C ATOM 984 O SER A 62 -6.018 4.075 -5.788 1.00 0.00 O ATOM 985 CB SER A 62 -3.565 5.128 -7.920 1.00 0.00 C ATOM 986 OG SER A 62 -4.403 6.270 -7.960 1.00 0.00 O ATOM 0 H SER A 62 -2.095 3.257 -7.331 1.00 0.00 H new ATOM 0 HA SER A 62 -3.672 4.997 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.523 5.439 -8.001 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.776 4.492 -8.780 1.00 0.00 H new ATOM 0 HG SER A 62 -4.250 6.759 -8.796 1.00 0.00 H new ATOM 992 N GLN A 63 -5.352 2.671 -7.427 1.00 0.00 N ATOM 993 CA GLN A 63 -6.612 1.949 -7.471 1.00 0.00 C ATOM 994 C GLN A 63 -6.859 1.228 -6.153 1.00 0.00 C ATOM 995 O GLN A 63 -8.006 1.011 -5.769 1.00 0.00 O ATOM 996 CB GLN A 63 -6.632 0.947 -8.626 1.00 0.00 C ATOM 997 CG GLN A 63 -6.615 1.597 -10.002 1.00 0.00 C ATOM 998 CD GLN A 63 -6.671 0.592 -11.140 1.00 0.00 C ATOM 999 OE1 GLN A 63 -6.122 -0.597 -10.924 1.00 0.00 O flip ATOM 1000 NE2 GLN A 63 -7.200 0.883 -12.213 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.650 2.333 -8.086 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.408 2.676 -7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.770 0.286 -8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.522 0.324 -8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.462 2.278 -10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.711 2.199 -10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.612 1.807 -12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.226 0.200 -12.971 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.787 0.852 -5.462 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.928 0.203 -4.169 1.00 0.00 C ATOM 1011 C TRP A 64 -6.579 1.143 -3.175 1.00 0.00 C ATOM 1012 O TRP A 64 -7.460 0.730 -2.443 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.590 -0.317 -3.624 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.711 -0.942 -2.263 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.911 -0.715 -1.180 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.714 -1.872 -1.830 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.351 -1.450 -0.107 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.455 -2.164 -0.479 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.806 -2.487 -2.452 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.245 -3.039 0.257 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.589 -3.351 -1.718 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.308 -3.618 -0.378 1.00 0.00 C ATOM 0 H TRP A 64 -4.825 0.984 -5.773 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.570 -0.666 -4.314 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.182 -1.051 -4.319 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.879 0.508 -3.577 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.057 -0.054 -1.169 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.923 -1.461 0.819 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.031 -2.288 -3.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.027 -3.254 1.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.435 -3.830 -2.188 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.944 -4.297 0.170 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.175 2.407 -3.172 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.812 3.393 -2.303 1.00 0.00 C ATOM 1035 C PHE A 65 -8.323 3.421 -2.535 1.00 0.00 C ATOM 1036 O PHE A 65 -9.107 3.512 -1.587 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.216 4.783 -2.521 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.851 4.963 -1.919 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.566 4.475 -0.652 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -3.857 5.634 -2.610 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.319 4.652 -0.088 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.606 5.813 -2.052 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.337 5.322 -0.790 1.00 0.00 C ATOM 0 H PHE A 65 -5.420 2.772 -3.752 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.624 3.099 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.158 4.979 -3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.890 5.527 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.331 3.949 -0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.062 6.022 -3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.112 4.267 0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.839 6.337 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.360 5.462 -0.352 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.725 3.320 -3.799 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.143 3.219 -4.145 1.00 0.00 C ATOM 1055 C GLU A 66 -10.743 1.904 -3.642 1.00 0.00 C ATOM 1056 O GLU A 66 -11.781 1.882 -2.970 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.324 3.297 -5.662 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.112 4.681 -6.247 1.00 0.00 C ATOM 1059 CD GLU A 66 -11.210 5.648 -5.859 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -12.350 5.493 -6.355 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -10.936 6.580 -5.082 1.00 0.00 O ATOM 0 H GLU A 66 -8.093 3.306 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.659 4.051 -3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.627 2.605 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.329 2.959 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.152 5.072 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.063 4.609 -7.334 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.078 0.806 -3.961 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.624 -0.515 -3.695 1.00 0.00 C ATOM 1070 C HIS A 67 -10.567 -0.879 -2.213 1.00 0.00 C ATOM 1071 O HIS A 67 -11.420 -1.616 -1.744 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.930 -1.580 -4.549 1.00 0.00 C ATOM 1073 CG HIS A 67 -10.363 -1.568 -5.990 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.991 -0.778 -7.026 1.00 0.00 N flip ATOM 1075 CD2 HIS A 67 -11.295 -2.446 -6.501 1.00 0.00 C flip ATOM 1076 CE1 HIS A 67 -10.696 -1.192 -8.128 1.00 0.00 C flip ATOM 1077 NE2 HIS A 67 -11.475 -2.198 -7.785 1.00 0.00 N flip ATOM 0 H HIS A 67 -9.159 0.803 -4.404 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.677 -0.484 -3.974 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.852 -1.428 -4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.133 -2.563 -4.125 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.313 -0.017 -6.993 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.800 -3.217 -5.938 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.624 -0.763 -9.116 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.579 -0.366 -1.479 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.500 -0.596 -0.036 1.00 0.00 C ATOM 1088 C GLN A 68 -10.623 0.149 0.662 1.00 0.00 C ATOM 1089 O GLN A 68 -11.119 -0.280 1.704 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.148 -0.153 0.536 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.889 1.342 0.441 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.569 1.749 1.062 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.616 0.981 1.090 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -6.509 2.971 1.562 1.00 0.00 N ATOM 0 H GLN A 68 -8.826 0.209 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.600 -1.667 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.093 -0.454 1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.353 -0.682 0.010 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.900 1.642 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.699 1.879 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.326 3.580 1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.646 3.305 1.991 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.030 1.264 0.061 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.164 2.034 0.557 1.00 0.00 C ATOM 1105 C GLU A 69 -13.412 1.149 0.561 1.00 0.00 C ATOM 1106 O GLU A 69 -14.252 1.234 1.459 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.371 3.277 -0.319 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.552 4.157 0.075 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.383 4.838 1.422 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -12.368 5.536 1.624 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.295 4.718 2.266 1.00 0.00 O ATOM 0 H GLU A 69 -10.589 1.654 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.970 2.367 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.463 3.879 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.506 2.956 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.698 4.918 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.456 3.548 0.096 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.510 0.273 -0.435 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.634 -0.656 -0.518 1.00 0.00 C ATOM 1120 C ARG A 70 -14.197 -2.113 -0.326 1.00 0.00 C ATOM 1121 O ARG A 70 -14.846 -3.033 -0.830 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.380 -0.496 -1.847 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.478 -0.324 -3.057 1.00 0.00 C ATOM 1124 CD ARG A 70 -15.284 -0.362 -4.343 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.606 0.314 -5.445 1.00 0.00 N ATOM 1126 CZ ARG A 70 -14.521 -0.172 -6.681 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -14.963 -1.394 -6.949 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -13.975 0.552 -7.647 1.00 0.00 N ATOM 0 H ARG A 70 -12.831 0.186 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.311 -0.406 0.299 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.012 -1.370 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.041 0.368 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.944 0.623 -2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.726 -1.113 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.474 -1.399 -4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.254 0.106 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.170 1.216 -5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.369 -1.964 -6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.897 -1.764 -7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.618 1.486 -7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.912 0.176 -8.593 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.118 -2.327 0.422 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.673 -3.680 0.748 1.00 0.00 C ATOM 1144 C LYS A 71 -12.248 -3.731 2.213 1.00 0.00 C ATOM 1145 O LYS A 71 -12.494 -2.771 2.949 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.526 -4.121 -0.166 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.559 -5.607 -0.494 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.398 -6.024 -1.379 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.473 -5.385 -2.751 1.00 0.00 C ATOM 1150 NZ LYS A 71 -9.544 -6.039 -3.706 1.00 0.00 N ATOM 0 H LYS A 71 -12.537 -1.585 0.813 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.500 -4.372 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.569 -3.550 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.576 -3.882 0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.533 -6.182 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.498 -5.847 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.459 -5.746 -0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.393 -7.109 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.493 -5.452 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.231 -4.325 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.746 -5.403 -3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.187 -6.924 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.048 -6.250 -4.591 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.588 -4.824 2.628 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.283 -5.058 4.040 1.00 0.00 C ATOM 1166 C LEU A 72 -12.536 -4.938 4.903 1.00 0.00 C ATOM 1167 O LEU A 72 -13.312 -5.885 5.037 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.224 -4.075 4.547 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.771 -4.406 4.212 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.569 -4.606 2.718 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.880 -3.293 4.718 1.00 0.00 C ATOM 0 H LEU A 72 -11.257 -5.558 2.001 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.894 -6.073 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.452 -3.089 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.316 -4.003 5.631 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.509 -5.344 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.523 -4.840 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.196 -5.428 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.843 -3.694 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.841 -3.523 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.162 -2.355 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.994 -3.198 5.798 1.00 0.00 H new