USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 ASN : amide:sc= -0.524 X(o=-0.52,f=-0.58) USER MOD Single : A 23 CYS SG : rot -80:sc= -8.56! USER MOD Single : A 24 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.63) USER MOD Single : A 25 GLN : amide:sc= -1.25 K(o=-1.3,f=-3.9!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -100:sc= -1.04 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 37 ASN : amide:sc= -0.17 K(o=-0.17,f=-0.95) USER MOD Single : A 39 MET CE :methyl 168:sc= -0.77 (180deg=-1.23) USER MOD Single : A 41 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.018) USER MOD Single : A 45 GLN : amide:sc= -0.0519 X(o=-0.052,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.4!) USER MOD Single : A 52 ASN : amide:sc= -0.0671 K(o=-0.067,f=-1.2) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -172:sc= -2.04 (180deg=-2.37!) USER MOD Single : A 59 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -176:sc= 0.94 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 12 -3.928 -0.815 7.934 1.00 0.00 N ATOM 115 CA PRO A 12 -3.685 -1.803 6.896 1.00 0.00 C ATOM 116 C PRO A 12 -4.984 -2.177 6.181 1.00 0.00 C ATOM 117 O PRO A 12 -5.109 -1.989 4.972 1.00 0.00 O ATOM 118 CB PRO A 12 -3.041 -2.978 7.614 1.00 0.00 C ATOM 119 CG PRO A 12 -3.370 -2.798 9.087 1.00 0.00 C ATOM 120 CD PRO A 12 -3.882 -1.380 9.280 1.00 0.00 C ATOM 0 HA PRO A 12 -3.033 -1.432 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.430 -3.925 7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.963 -2.991 7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.122 -3.522 9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.485 -2.971 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.868 -1.375 9.745 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.221 -0.805 9.928 1.00 0.00 H new ATOM 128 N VAL A 13 -5.920 -2.702 6.959 1.00 0.00 N ATOM 129 CA VAL A 13 -7.206 -3.105 6.415 1.00 0.00 C ATOM 130 C VAL A 13 -7.660 -2.078 5.376 1.00 0.00 C ATOM 131 O VAL A 13 -7.981 -2.436 4.244 1.00 0.00 O ATOM 132 CB VAL A 13 -8.216 -3.297 7.548 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.246 -2.075 8.468 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.610 -3.600 6.994 1.00 0.00 C ATOM 0 H VAL A 13 -5.813 -2.857 7.961 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.122 -4.065 5.907 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.897 -4.155 8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.972 -2.237 9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.258 -1.922 8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.529 -1.193 7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.309 -3.732 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.941 -2.771 6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.575 -4.513 6.399 1.00 0.00 H new ATOM 144 N GLU A 14 -7.672 -0.822 5.798 1.00 0.00 N ATOM 145 CA GLU A 14 -8.081 0.259 4.918 1.00 0.00 C ATOM 146 C GLU A 14 -7.312 0.189 3.598 1.00 0.00 C ATOM 147 O GLU A 14 -7.914 0.110 2.528 1.00 0.00 O ATOM 148 CB GLU A 14 -7.889 1.618 5.594 1.00 0.00 C ATOM 149 CG GLU A 14 -9.195 2.109 6.222 1.00 0.00 C ATOM 150 CD GLU A 14 -9.655 3.418 5.578 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.309 3.621 4.394 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.342 4.187 6.284 1.00 0.00 O ATOM 0 H GLU A 14 -7.405 -0.529 6.738 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.143 0.144 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.119 1.540 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.537 2.345 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.968 1.350 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.055 2.256 7.293 1.00 0.00 H new ATOM 159 N ILE A 15 -5.993 0.221 3.716 1.00 0.00 N ATOM 160 CA ILE A 15 -5.135 0.162 2.544 1.00 0.00 C ATOM 161 C ILE A 15 -5.540 -1.035 1.681 1.00 0.00 C ATOM 162 O ILE A 15 -5.747 -0.894 0.477 1.00 0.00 O ATOM 163 CB ILE A 15 -3.662 0.151 2.959 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.309 1.404 3.762 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.752 -0.026 1.742 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.050 1.181 4.602 1.00 0.00 C ATOM 0 H ILE A 15 -5.497 0.287 4.605 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.263 1.055 1.932 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.497 -0.706 3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.154 2.243 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.142 1.670 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.711 -0.030 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.983 -0.970 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.913 0.796 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.822 2.087 5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.217 0.357 5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.213 0.939 3.946 1.00 0.00 H new ATOM 178 N GLU A 16 -5.640 -2.185 2.330 1.00 0.00 N ATOM 179 CA GLU A 16 -6.016 -3.406 1.637 1.00 0.00 C ATOM 180 C GLU A 16 -7.375 -3.231 0.955 1.00 0.00 C ATOM 181 O GLU A 16 -7.469 -3.279 -0.271 1.00 0.00 O ATOM 182 CB GLU A 16 -6.033 -4.598 2.595 1.00 0.00 C ATOM 183 CG GLU A 16 -4.693 -4.737 3.320 1.00 0.00 C ATOM 184 CD GLU A 16 -4.590 -6.090 4.027 1.00 0.00 C ATOM 185 OE1 GLU A 16 -4.762 -7.111 3.326 1.00 0.00 O ATOM 186 OE2 GLU A 16 -4.342 -6.073 5.252 1.00 0.00 O ATOM 0 H GLU A 16 -5.467 -2.298 3.329 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.269 -3.610 0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.834 -4.472 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.247 -5.512 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.876 -4.633 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.584 -3.933 4.048 1.00 0.00 H new ATOM 193 N ASN A 17 -8.393 -3.032 1.778 1.00 0.00 N ATOM 194 CA ASN A 17 -9.742 -2.851 1.270 1.00 0.00 C ATOM 195 C ASN A 17 -9.701 -1.942 0.040 1.00 0.00 C ATOM 196 O ASN A 17 -10.336 -2.233 -0.973 1.00 0.00 O ATOM 197 CB ASN A 17 -10.641 -2.189 2.317 1.00 0.00 C ATOM 198 CG ASN A 17 -11.469 -3.233 3.068 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.023 -4.155 2.492 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.522 -3.038 4.382 1.00 0.00 N ATOM 0 H ASN A 17 -8.311 -2.992 2.794 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.143 -3.833 1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.030 -1.628 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.305 -1.474 1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.050 -3.681 4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.035 -2.245 4.800 1.00 0.00 H new ATOM 207 N ARG A 18 -8.947 -0.860 0.168 1.00 0.00 N ATOM 208 CA ARG A 18 -8.815 0.093 -0.921 1.00 0.00 C ATOM 209 C ARG A 18 -8.583 -0.641 -2.243 1.00 0.00 C ATOM 210 O ARG A 18 -9.313 -0.430 -3.211 1.00 0.00 O ATOM 211 CB ARG A 18 -7.653 1.058 -0.671 1.00 0.00 C ATOM 212 CG ARG A 18 -8.150 2.502 -0.584 1.00 0.00 C ATOM 213 CD ARG A 18 -9.056 2.843 -1.769 1.00 0.00 C ATOM 214 NE ARG A 18 -8.592 4.089 -2.419 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.078 4.559 -3.575 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.046 3.890 -4.216 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.597 5.699 -4.091 1.00 0.00 N ATOM 0 H ARG A 18 -8.421 -0.622 1.009 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.742 0.664 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.144 0.788 0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.922 0.969 -1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.695 2.647 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.299 3.183 -0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.051 2.024 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.085 2.962 -1.428 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.856 4.623 -1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.413 3.023 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.416 4.248 -5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.860 6.209 -3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.968 6.057 -4.972 1.00 0.00 H new ATOM 231 N ILE A 19 -7.564 -1.488 -2.243 1.00 0.00 N ATOM 232 CA ILE A 19 -7.227 -2.254 -3.431 1.00 0.00 C ATOM 233 C ILE A 19 -8.455 -3.042 -3.889 1.00 0.00 C ATOM 234 O ILE A 19 -8.845 -2.970 -5.054 1.00 0.00 O ATOM 235 CB ILE A 19 -5.997 -3.127 -3.174 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.788 -2.271 -2.791 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.703 -4.027 -4.375 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.694 -3.124 -2.147 1.00 0.00 C ATOM 0 H ILE A 19 -6.961 -1.661 -1.439 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.952 -1.588 -4.249 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.212 -3.779 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.393 -1.776 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.097 -1.487 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.824 -4.637 -4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.559 -4.676 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.516 -3.411 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.846 -2.491 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.085 -3.598 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.370 -3.891 -2.850 1.00 0.00 H new ATOM 250 N ILE A 20 -9.032 -3.777 -2.949 1.00 0.00 N ATOM 251 CA ILE A 20 -10.208 -4.579 -3.242 1.00 0.00 C ATOM 252 C ILE A 20 -11.195 -3.746 -4.063 1.00 0.00 C ATOM 253 O ILE A 20 -11.741 -4.226 -5.056 1.00 0.00 O ATOM 254 CB ILE A 20 -10.805 -5.145 -1.953 1.00 0.00 C ATOM 255 CG1 ILE A 20 -10.029 -6.378 -1.485 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.298 -5.437 -2.121 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.528 -6.090 -1.420 1.00 0.00 C ATOM 0 H ILE A 20 -8.707 -3.834 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.938 -5.444 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.711 -4.390 -1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.387 -6.686 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.214 -7.209 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.697 -5.839 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.823 -4.516 -2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.439 -6.165 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.000 -6.983 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.169 -5.806 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.344 -5.275 -0.720 1.00 0.00 H new ATOM 269 N GLU A 21 -11.394 -2.514 -3.619 1.00 0.00 N ATOM 270 CA GLU A 21 -12.306 -1.611 -4.300 1.00 0.00 C ATOM 271 C GLU A 21 -11.825 -1.350 -5.729 1.00 0.00 C ATOM 272 O GLU A 21 -12.626 -1.332 -6.663 1.00 0.00 O ATOM 273 CB GLU A 21 -12.460 -0.301 -3.525 1.00 0.00 C ATOM 274 CG GLU A 21 -13.767 -0.284 -2.730 1.00 0.00 C ATOM 275 CD GLU A 21 -14.859 0.476 -3.486 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.525 -0.171 -4.323 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.003 1.686 -3.210 1.00 0.00 O ATOM 0 H GLU A 21 -10.939 -2.120 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.287 -2.084 -4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.616 -0.174 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.441 0.540 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.095 -1.306 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.600 0.182 -1.759 1.00 0.00 H new ATOM 284 N LEU A 22 -10.521 -1.153 -5.854 1.00 0.00 N ATOM 285 CA LEU A 22 -9.925 -0.894 -7.153 1.00 0.00 C ATOM 286 C LEU A 22 -9.995 -2.163 -8.004 1.00 0.00 C ATOM 287 O LEU A 22 -10.530 -2.143 -9.112 1.00 0.00 O ATOM 288 CB LEU A 22 -8.508 -0.340 -6.991 1.00 0.00 C ATOM 289 CG LEU A 22 -8.352 1.170 -7.187 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.653 1.809 -5.986 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.631 1.481 -8.501 1.00 0.00 C ATOM 0 H LEU A 22 -9.861 -1.168 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.486 -0.124 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.151 -0.596 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.857 -0.848 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.347 1.610 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.555 2.882 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.242 1.633 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.663 1.368 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.533 2.561 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.640 1.026 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.205 1.078 -9.335 1.00 0.00 H new ATOM 303 N CYS A 23 -9.448 -3.237 -7.455 1.00 0.00 N ATOM 304 CA CYS A 23 -9.442 -4.513 -8.150 1.00 0.00 C ATOM 305 C CYS A 23 -10.846 -4.766 -8.701 1.00 0.00 C ATOM 306 O CYS A 23 -11.005 -5.426 -9.727 1.00 0.00 O ATOM 307 CB CYS A 23 -8.972 -5.650 -7.240 1.00 0.00 C ATOM 308 SG CYS A 23 -7.268 -5.323 -6.658 1.00 0.00 S ATOM 0 H CYS A 23 -9.005 -3.250 -6.536 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.730 -4.478 -8.975 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.644 -5.746 -6.387 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.005 -6.596 -7.780 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.421 -5.651 -7.588 1.00 0.00 H new ATOM 314 N HIS A 24 -11.830 -4.229 -7.995 1.00 0.00 N ATOM 315 CA HIS A 24 -13.216 -4.388 -8.402 1.00 0.00 C ATOM 316 C HIS A 24 -13.496 -3.515 -9.626 1.00 0.00 C ATOM 317 O HIS A 24 -14.155 -3.953 -10.568 1.00 0.00 O ATOM 318 CB HIS A 24 -14.162 -4.093 -7.235 1.00 0.00 C ATOM 319 CG HIS A 24 -14.530 -5.310 -6.420 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.886 -6.518 -6.996 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.592 -5.494 -5.070 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.150 -7.381 -6.026 1.00 0.00 C ATOM 323 NE2 HIS A 24 -14.967 -6.745 -4.833 1.00 0.00 N ATOM 0 H HIS A 24 -11.695 -3.683 -7.144 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.397 -5.424 -8.689 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.696 -3.357 -6.580 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -15.074 -3.640 -7.625 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.373 -4.748 -4.320 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.456 -8.408 -6.157 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.097 -7.162 -3.911 1.00 0.00 H new ATOM 331 N GLN A 25 -12.981 -2.295 -9.574 1.00 0.00 N ATOM 332 CA GLN A 25 -13.167 -1.357 -10.667 1.00 0.00 C ATOM 333 C GLN A 25 -12.497 -1.883 -11.938 1.00 0.00 C ATOM 334 O GLN A 25 -13.054 -1.771 -13.029 1.00 0.00 O ATOM 335 CB GLN A 25 -12.630 0.028 -10.298 1.00 0.00 C ATOM 336 CG GLN A 25 -13.765 0.957 -9.862 1.00 0.00 C ATOM 337 CD GLN A 25 -14.861 1.022 -10.928 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.717 0.528 -12.034 1.00 0.00 O ATOM 339 NE2 GLN A 25 -15.961 1.658 -10.534 1.00 0.00 N ATOM 0 H GLN A 25 -12.435 -1.935 -8.791 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.236 -1.258 -10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.900 -0.063 -9.493 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.110 0.460 -11.153 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.188 0.604 -8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.371 1.957 -9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.015 2.048 -9.593 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.750 1.755 -11.173 1.00 0.00 H new ATOM 348 N PHE A 26 -11.312 -2.446 -11.755 1.00 0.00 N ATOM 349 CA PHE A 26 -10.561 -2.990 -12.874 1.00 0.00 C ATOM 350 C PHE A 26 -10.523 -4.519 -12.816 1.00 0.00 C ATOM 351 O PHE A 26 -9.792 -5.095 -12.012 1.00 0.00 O ATOM 352 CB PHE A 26 -9.134 -2.451 -12.759 1.00 0.00 C ATOM 353 CG PHE A 26 -9.049 -0.925 -12.686 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.326 -0.284 -11.519 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.697 -0.210 -13.788 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.247 1.132 -11.451 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.619 1.206 -13.720 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.896 1.847 -12.553 1.00 0.00 C ATOM 0 H PHE A 26 -10.853 -2.537 -10.849 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.030 -2.700 -13.814 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.668 -2.874 -11.869 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.556 -2.796 -13.616 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.606 -0.852 -10.644 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.477 -0.719 -14.715 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.466 1.641 -10.524 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.340 1.774 -14.595 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.837 2.924 -12.502 1.00 0.00 H new ATOM 368 N PRO A 27 -11.339 -5.148 -13.704 1.00 0.00 N ATOM 369 CA PRO A 27 -11.405 -6.598 -13.762 1.00 0.00 C ATOM 370 C PRO A 27 -10.162 -7.177 -14.442 1.00 0.00 C ATOM 371 O PRO A 27 -9.891 -8.372 -14.335 1.00 0.00 O ATOM 372 CB PRO A 27 -12.690 -6.904 -14.513 1.00 0.00 C ATOM 373 CG PRO A 27 -13.056 -5.626 -15.250 1.00 0.00 C ATOM 374 CD PRO A 27 -12.218 -4.498 -14.672 1.00 0.00 C ATOM 0 HA PRO A 27 -11.418 -7.058 -12.774 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.548 -7.730 -15.210 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.483 -7.200 -13.826 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.866 -5.734 -16.318 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.118 -5.410 -15.135 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.646 -3.992 -15.449 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.844 -3.744 -14.195 1.00 0.00 H new ATOM 382 N HIS A 28 -9.440 -6.302 -15.127 1.00 0.00 N ATOM 383 CA HIS A 28 -8.233 -6.711 -15.824 1.00 0.00 C ATOM 384 C HIS A 28 -7.042 -6.655 -14.865 1.00 0.00 C ATOM 385 O HIS A 28 -6.122 -7.465 -14.964 1.00 0.00 O ATOM 386 CB HIS A 28 -8.021 -5.868 -17.083 1.00 0.00 C ATOM 387 CG HIS A 28 -9.241 -5.765 -17.966 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.693 -4.564 -18.485 1.00 0.00 N ATOM 389 CD2 HIS A 28 -10.097 -6.726 -18.418 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.773 -4.803 -19.213 1.00 0.00 C ATOM 391 NE2 HIS A 28 -11.023 -6.143 -19.170 1.00 0.00 N ATOM 0 H HIS A 28 -9.668 -5.312 -15.214 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.335 -7.743 -16.161 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.713 -4.865 -16.788 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.202 -6.296 -17.661 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.032 -7.782 -18.201 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.354 -4.066 -19.747 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.794 -6.619 -19.638 1.00 0.00 H new ATOM 399 N GLY A 29 -7.099 -5.691 -13.958 1.00 0.00 N ATOM 400 CA GLY A 29 -6.037 -5.519 -12.982 1.00 0.00 C ATOM 401 C GLY A 29 -5.607 -4.053 -12.891 1.00 0.00 C ATOM 402 O GLY A 29 -6.119 -3.206 -13.623 1.00 0.00 O ATOM 0 H GLY A 29 -7.864 -5.021 -13.879 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.377 -5.863 -12.005 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.182 -6.136 -13.258 1.00 0.00 H new ATOM 406 N ILE A 30 -4.673 -3.798 -11.987 1.00 0.00 N ATOM 407 CA ILE A 30 -4.169 -2.449 -11.792 1.00 0.00 C ATOM 408 C ILE A 30 -2.646 -2.492 -11.661 1.00 0.00 C ATOM 409 O ILE A 30 -2.075 -3.539 -11.357 1.00 0.00 O ATOM 410 CB ILE A 30 -4.870 -1.782 -10.607 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.543 -2.505 -9.299 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.378 -1.683 -10.846 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.213 -1.815 -8.108 1.00 0.00 C ATOM 0 H ILE A 30 -4.252 -4.502 -11.381 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.397 -1.828 -12.658 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.492 -0.764 -10.516 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.877 -3.541 -9.359 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.463 -2.526 -9.151 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.852 -1.205 -9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.566 -1.091 -11.741 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.792 -2.683 -10.979 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.964 -2.349 -7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.858 -0.787 -8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.294 -1.817 -8.247 1.00 0.00 H new ATOM 425 N THR A 31 -2.030 -1.343 -11.896 1.00 0.00 N ATOM 426 CA THR A 31 -0.584 -1.236 -11.808 1.00 0.00 C ATOM 427 C THR A 31 -0.185 -0.375 -10.608 1.00 0.00 C ATOM 428 O THR A 31 -0.871 0.590 -10.276 1.00 0.00 O ATOM 429 CB THR A 31 -0.067 -0.695 -13.142 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.753 0.543 -13.304 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.531 -1.536 -14.334 1.00 0.00 C ATOM 0 H THR A 31 -2.507 -0.477 -12.148 1.00 0.00 H new ATOM 0 HA THR A 31 -0.126 -2.210 -11.637 1.00 0.00 H new ATOM 0 HB THR A 31 1.022 -0.662 -13.122 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.507 0.421 -13.918 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.137 -1.109 -15.256 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.167 -2.557 -14.222 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.620 -1.541 -14.374 1.00 0.00 H new ATOM 439 N ASP A 32 0.924 -0.755 -9.989 1.00 0.00 N ATOM 440 CA ASP A 32 1.422 -0.030 -8.833 1.00 0.00 C ATOM 441 C ASP A 32 1.245 1.472 -9.064 1.00 0.00 C ATOM 442 O ASP A 32 1.027 2.227 -8.118 1.00 0.00 O ATOM 443 CB ASP A 32 2.912 -0.302 -8.613 1.00 0.00 C ATOM 444 CG ASP A 32 3.265 -0.901 -7.250 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.427 -0.100 -6.304 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.366 -2.145 -7.186 1.00 0.00 O ATOM 0 H ASP A 32 1.491 -1.556 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 32 0.862 -0.362 -7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.261 -0.979 -9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.459 0.633 -8.735 1.00 0.00 H new ATOM 451 N GLN A 33 1.345 1.861 -10.326 1.00 0.00 N ATOM 452 CA GLN A 33 1.198 3.259 -10.693 1.00 0.00 C ATOM 453 C GLN A 33 -0.186 3.771 -10.290 1.00 0.00 C ATOM 454 O GLN A 33 -0.302 4.800 -9.625 1.00 0.00 O ATOM 455 CB GLN A 33 1.443 3.462 -12.189 1.00 0.00 C ATOM 456 CG GLN A 33 2.756 4.209 -12.434 1.00 0.00 C ATOM 457 CD GLN A 33 3.227 4.033 -13.879 1.00 0.00 C ATOM 458 OE1 GLN A 33 2.482 3.627 -14.756 1.00 0.00 O ATOM 459 NE2 GLN A 33 4.501 4.359 -14.077 1.00 0.00 N ATOM 0 H GLN A 33 1.526 1.232 -11.108 1.00 0.00 H new ATOM 0 HA GLN A 33 1.949 3.837 -10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.472 2.495 -12.691 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.615 4.022 -12.624 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.621 5.269 -12.219 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.521 3.840 -11.751 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.069 4.692 -13.298 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.910 4.276 -15.008 1.00 0.00 H new ATOM 468 N VAL A 34 -1.201 3.030 -10.708 1.00 0.00 N ATOM 469 CA VAL A 34 -2.573 3.396 -10.399 1.00 0.00 C ATOM 470 C VAL A 34 -2.701 3.655 -8.897 1.00 0.00 C ATOM 471 O VAL A 34 -2.942 4.786 -8.477 1.00 0.00 O ATOM 472 CB VAL A 34 -3.530 2.313 -10.902 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.967 2.605 -10.465 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.438 2.164 -12.422 1.00 0.00 C ATOM 0 H VAL A 34 -1.101 2.177 -11.259 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.847 4.317 -10.913 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.230 1.366 -10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.627 1.820 -10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.017 2.637 -9.377 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.283 3.566 -10.871 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.128 1.388 -12.754 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.700 3.110 -12.897 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.421 1.888 -12.700 1.00 0.00 H new ATOM 484 N ILE A 35 -2.533 2.589 -8.128 1.00 0.00 N ATOM 485 CA ILE A 35 -2.627 2.687 -6.681 1.00 0.00 C ATOM 486 C ILE A 35 -1.808 3.887 -6.202 1.00 0.00 C ATOM 487 O ILE A 35 -2.083 4.448 -5.142 1.00 0.00 O ATOM 488 CB ILE A 35 -2.220 1.365 -6.027 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.151 0.230 -6.460 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.155 1.503 -4.505 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.361 -1.050 -6.742 1.00 0.00 C ATOM 0 H ILE A 35 -2.332 1.653 -8.480 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.659 2.862 -6.377 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.218 1.109 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.888 0.042 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.701 0.527 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.864 0.549 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.421 2.264 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.134 1.794 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.046 -1.841 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.641 -0.865 -7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.832 -1.357 -5.840 1.00 0.00 H new ATOM 503 N GLN A 36 -0.817 4.246 -7.006 1.00 0.00 N ATOM 504 CA GLN A 36 0.043 5.370 -6.677 1.00 0.00 C ATOM 505 C GLN A 36 -0.728 6.685 -6.805 1.00 0.00 C ATOM 506 O GLN A 36 -0.753 7.487 -5.873 1.00 0.00 O ATOM 507 CB GLN A 36 1.294 5.379 -7.558 1.00 0.00 C ATOM 508 CG GLN A 36 2.538 5.735 -6.742 1.00 0.00 C ATOM 509 CD GLN A 36 3.808 5.571 -7.579 1.00 0.00 C ATOM 510 OE1 GLN A 36 3.771 5.240 -8.752 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.931 5.822 -6.912 1.00 0.00 N ATOM 0 H GLN A 36 -0.591 3.778 -7.884 1.00 0.00 H new ATOM 0 HA GLN A 36 0.368 5.263 -5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.425 4.400 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.168 6.098 -8.367 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.462 6.763 -6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.594 5.096 -5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.891 6.095 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.832 5.741 -7.382 1.00 0.00 H new ATOM 520 N ASN A 37 -1.338 6.865 -7.967 1.00 0.00 N ATOM 521 CA ASN A 37 -2.109 8.069 -8.229 1.00 0.00 C ATOM 522 C ASN A 37 -3.373 8.058 -7.368 1.00 0.00 C ATOM 523 O ASN A 37 -3.963 9.106 -7.111 1.00 0.00 O ATOM 524 CB ASN A 37 -2.536 8.141 -9.696 1.00 0.00 C ATOM 525 CG ASN A 37 -2.016 9.419 -10.357 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.827 10.444 -9.723 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.795 9.301 -11.663 1.00 0.00 N ATOM 0 H ASN A 37 -1.314 6.198 -8.738 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.482 8.929 -7.994 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.157 7.270 -10.232 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.623 8.109 -9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.446 10.098 -12.195 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.974 8.413 -12.132 1.00 0.00 H new ATOM 534 N GLU A 38 -3.753 6.860 -6.947 1.00 0.00 N ATOM 535 CA GLU A 38 -4.937 6.699 -6.120 1.00 0.00 C ATOM 536 C GLU A 38 -4.590 6.916 -4.646 1.00 0.00 C ATOM 537 O GLU A 38 -5.236 7.708 -3.963 1.00 0.00 O ATOM 538 CB GLU A 38 -5.573 5.324 -6.336 1.00 0.00 C ATOM 539 CG GLU A 38 -6.153 5.204 -7.747 1.00 0.00 C ATOM 540 CD GLU A 38 -7.046 6.402 -8.077 1.00 0.00 C ATOM 541 OE1 GLU A 38 -7.893 6.732 -7.219 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.862 6.960 -9.180 1.00 0.00 O ATOM 0 H GLU A 38 -3.262 5.992 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.667 7.452 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.827 4.545 -6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.361 5.164 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.342 5.139 -8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.729 4.283 -7.830 1.00 0.00 H new ATOM 549 N MET A 39 -3.569 6.199 -4.200 1.00 0.00 N ATOM 550 CA MET A 39 -3.128 6.304 -2.820 1.00 0.00 C ATOM 551 C MET A 39 -1.607 6.458 -2.740 1.00 0.00 C ATOM 552 O MET A 39 -0.911 5.551 -2.288 1.00 0.00 O ATOM 553 CB MET A 39 -3.555 5.052 -2.050 1.00 0.00 C ATOM 554 CG MET A 39 -5.040 4.755 -2.268 1.00 0.00 C ATOM 555 SD MET A 39 -5.243 3.115 -2.941 1.00 0.00 S ATOM 556 CE MET A 39 -4.495 2.150 -1.638 1.00 0.00 C ATOM 0 H MET A 39 -3.035 5.543 -4.770 1.00 0.00 H new ATOM 0 HA MET A 39 -3.588 7.188 -2.378 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.958 4.200 -2.375 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.360 5.191 -0.987 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.578 4.839 -1.324 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.471 5.491 -2.947 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.723 1.095 -1.790 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.415 2.294 -1.653 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.890 2.471 -0.674 1.00 0.00 H new ATOM 566 N PRO A 40 -1.125 7.644 -3.199 1.00 0.00 N ATOM 567 CA PRO A 40 0.299 7.929 -3.185 1.00 0.00 C ATOM 568 C PRO A 40 0.781 8.242 -1.767 1.00 0.00 C ATOM 569 O PRO A 40 1.982 8.227 -1.498 1.00 0.00 O ATOM 570 CB PRO A 40 0.478 9.094 -4.144 1.00 0.00 C ATOM 571 CG PRO A 40 -0.900 9.718 -4.302 1.00 0.00 C ATOM 572 CD PRO A 40 -1.921 8.741 -3.742 1.00 0.00 C ATOM 0 HA PRO A 40 0.901 7.077 -3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.192 9.818 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.865 8.754 -5.104 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.951 10.669 -3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.107 9.926 -5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.533 9.207 -2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.601 8.390 -4.518 1.00 0.00 H new ATOM 580 N HIS A 41 -0.179 8.518 -0.897 1.00 0.00 N ATOM 581 CA HIS A 41 0.132 8.834 0.487 1.00 0.00 C ATOM 582 C HIS A 41 0.527 7.556 1.229 1.00 0.00 C ATOM 583 O HIS A 41 0.897 7.604 2.401 1.00 0.00 O ATOM 584 CB HIS A 41 -1.033 9.570 1.151 1.00 0.00 C ATOM 585 CG HIS A 41 -2.301 8.755 1.245 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.351 8.896 0.354 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.675 7.789 2.132 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.309 8.049 0.700 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.889 7.364 1.802 1.00 0.00 N ATOM 0 H HIS A 41 -1.173 8.529 -1.124 1.00 0.00 H new ATOM 0 HA HIS A 41 0.984 9.513 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.733 9.873 2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.240 10.482 0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.084 7.431 2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.257 7.923 0.197 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.420 6.644 2.292 1.00 0.00 H new ATOM 597 N ILE A 42 0.434 6.443 0.516 1.00 0.00 N ATOM 598 CA ILE A 42 0.777 5.154 1.093 1.00 0.00 C ATOM 599 C ILE A 42 2.299 4.999 1.115 1.00 0.00 C ATOM 600 O ILE A 42 2.998 5.581 0.287 1.00 0.00 O ATOM 601 CB ILE A 42 0.054 4.027 0.352 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.459 4.252 0.355 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.432 2.662 0.930 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.057 3.942 1.728 1.00 0.00 C ATOM 0 H ILE A 42 0.126 6.407 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 42 0.436 5.095 2.127 1.00 0.00 H new ATOM 0 HB ILE A 42 0.379 4.038 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.677 5.285 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.926 3.619 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.095 1.878 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.507 2.511 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.154 2.623 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.134 4.110 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.858 2.902 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.606 4.593 2.477 1.00 0.00 H new ATOM 616 N GLU A 43 2.767 4.211 2.072 1.00 0.00 N ATOM 617 CA GLU A 43 4.193 3.972 2.213 1.00 0.00 C ATOM 618 C GLU A 43 4.639 2.850 1.273 1.00 0.00 C ATOM 619 O GLU A 43 3.807 2.127 0.726 1.00 0.00 O ATOM 620 CB GLU A 43 4.554 3.648 3.664 1.00 0.00 C ATOM 621 CG GLU A 43 4.981 4.910 4.417 1.00 0.00 C ATOM 622 CD GLU A 43 6.476 4.876 4.741 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.822 4.235 5.756 1.00 0.00 O ATOM 624 OE2 GLU A 43 7.238 5.493 3.965 1.00 0.00 O ATOM 0 H GLU A 43 2.184 3.730 2.757 1.00 0.00 H new ATOM 0 HA GLU A 43 4.723 4.883 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.698 3.194 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.361 2.916 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.756 5.791 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.407 4.999 5.340 1.00 0.00 H new ATOM 631 N ALA A 44 5.950 2.738 1.116 1.00 0.00 N ATOM 632 CA ALA A 44 6.515 1.716 0.252 1.00 0.00 C ATOM 633 C ALA A 44 6.190 0.334 0.823 1.00 0.00 C ATOM 634 O ALA A 44 5.696 -0.537 0.108 1.00 0.00 O ATOM 635 CB ALA A 44 8.021 1.946 0.106 1.00 0.00 C ATOM 0 H ALA A 44 6.637 3.338 1.573 1.00 0.00 H new ATOM 0 HA ALA A 44 6.078 1.772 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.445 1.179 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.198 2.929 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.494 1.894 1.087 1.00 0.00 H new ATOM 641 N GLN A 45 6.479 0.176 2.107 1.00 0.00 N ATOM 642 CA GLN A 45 6.223 -1.084 2.782 1.00 0.00 C ATOM 643 C GLN A 45 4.717 -1.310 2.932 1.00 0.00 C ATOM 644 O GLN A 45 4.246 -2.444 2.862 1.00 0.00 O ATOM 645 CB GLN A 45 6.922 -1.130 4.142 1.00 0.00 C ATOM 646 CG GLN A 45 8.278 -1.831 4.038 1.00 0.00 C ATOM 647 CD GLN A 45 9.223 -1.363 5.146 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.601 -2.111 6.033 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.583 -0.086 5.047 1.00 0.00 N ATOM 0 H GLN A 45 6.888 0.900 2.697 1.00 0.00 H new ATOM 0 HA GLN A 45 6.633 -1.889 2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.061 -0.116 4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.292 -1.654 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.140 -2.910 4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.724 -1.626 3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.230 0.485 4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.212 0.322 5.739 1.00 0.00 H new ATOM 658 N GLN A 46 4.004 -0.212 3.135 1.00 0.00 N ATOM 659 CA GLN A 46 2.561 -0.276 3.296 1.00 0.00 C ATOM 660 C GLN A 46 1.903 -0.754 2.000 1.00 0.00 C ATOM 661 O GLN A 46 1.177 -1.746 1.997 1.00 0.00 O ATOM 662 CB GLN A 46 1.997 1.079 3.729 1.00 0.00 C ATOM 663 CG GLN A 46 2.180 1.293 5.233 1.00 0.00 C ATOM 664 CD GLN A 46 1.549 2.613 5.680 1.00 0.00 C ATOM 665 OE1 GLN A 46 1.125 3.430 4.879 1.00 0.00 O ATOM 666 NE2 GLN A 46 1.509 2.775 6.999 1.00 0.00 N ATOM 0 H GLN A 46 4.398 0.727 3.192 1.00 0.00 H new ATOM 0 HA GLN A 46 2.335 -0.996 4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.497 1.877 3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.938 1.134 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.727 0.466 5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.242 1.292 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.882 2.051 7.613 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.105 3.623 7.397 1.00 0.00 H new ATOM 675 N ARG A 47 2.182 -0.026 0.928 1.00 0.00 N ATOM 676 CA ARG A 47 1.627 -0.363 -0.371 1.00 0.00 C ATOM 677 C ARG A 47 1.856 -1.845 -0.678 1.00 0.00 C ATOM 678 O ARG A 47 0.954 -2.528 -1.161 1.00 0.00 O ATOM 679 CB ARG A 47 2.261 0.483 -1.477 1.00 0.00 C ATOM 680 CG ARG A 47 1.257 1.493 -2.038 1.00 0.00 C ATOM 681 CD ARG A 47 1.571 1.824 -3.498 1.00 0.00 C ATOM 682 NE ARG A 47 2.376 3.064 -3.574 1.00 0.00 N ATOM 683 CZ ARG A 47 3.704 3.109 -3.405 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.385 1.984 -3.149 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.352 4.279 -3.491 1.00 0.00 N ATOM 0 H ARG A 47 2.786 0.796 0.933 1.00 0.00 H new ATOM 0 HA ARG A 47 0.557 -0.156 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.131 1.009 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.616 -0.166 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.248 1.089 -1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.281 2.405 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.115 0.999 -3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.645 1.947 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 47 1.889 3.939 -3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.892 1.093 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.396 2.018 -3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.834 5.136 -3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.363 4.313 -3.362 1.00 0.00 H new ATOM 699 N ALA A 48 3.066 -2.297 -0.384 1.00 0.00 N ATOM 700 CA ALA A 48 3.424 -3.685 -0.622 1.00 0.00 C ATOM 701 C ALA A 48 2.703 -4.574 0.393 1.00 0.00 C ATOM 702 O ALA A 48 2.024 -5.528 0.016 1.00 0.00 O ATOM 703 CB ALA A 48 4.945 -3.839 -0.556 1.00 0.00 C ATOM 0 H ALA A 48 3.811 -1.727 0.017 1.00 0.00 H new ATOM 0 HA ALA A 48 3.108 -3.998 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.213 -4.880 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.408 -3.210 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.299 -3.537 0.430 1.00 0.00 H new ATOM 709 N VAL A 49 2.876 -4.230 1.661 1.00 0.00 N ATOM 710 CA VAL A 49 2.250 -4.986 2.733 1.00 0.00 C ATOM 711 C VAL A 49 0.828 -5.369 2.319 1.00 0.00 C ATOM 712 O VAL A 49 0.535 -6.544 2.106 1.00 0.00 O ATOM 713 CB VAL A 49 2.298 -4.184 4.035 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.161 -4.593 4.973 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.657 -4.335 4.722 1.00 0.00 C ATOM 0 H VAL A 49 3.440 -3.438 1.970 1.00 0.00 H new ATOM 0 HA VAL A 49 2.795 -5.912 2.916 1.00 0.00 H new ATOM 0 HB VAL A 49 2.164 -3.131 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.218 -4.008 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.203 -4.410 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.250 -5.653 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.665 -3.755 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.834 -5.386 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.442 -3.972 4.059 1.00 0.00 H new ATOM 725 N ALA A 50 -0.018 -4.354 2.218 1.00 0.00 N ATOM 726 CA ALA A 50 -1.402 -4.570 1.833 1.00 0.00 C ATOM 727 C ALA A 50 -1.453 -5.530 0.643 1.00 0.00 C ATOM 728 O ALA A 50 -2.219 -6.492 0.649 1.00 0.00 O ATOM 729 CB ALA A 50 -2.062 -3.224 1.525 1.00 0.00 C ATOM 0 H ALA A 50 0.228 -3.380 2.396 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.960 -5.028 2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.100 -3.386 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.026 -2.590 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.530 -2.736 0.708 1.00 0.00 H new ATOM 735 N ILE A 51 -0.627 -5.234 -0.350 1.00 0.00 N ATOM 736 CA ILE A 51 -0.568 -6.059 -1.545 1.00 0.00 C ATOM 737 C ILE A 51 -0.250 -7.502 -1.148 1.00 0.00 C ATOM 738 O ILE A 51 -1.059 -8.403 -1.367 1.00 0.00 O ATOM 739 CB ILE A 51 0.417 -5.469 -2.556 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.191 -4.261 -3.272 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.899 -6.536 -3.540 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.891 -3.438 -3.974 1.00 0.00 C ATOM 0 H ILE A 51 0.007 -4.435 -0.352 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.535 -6.071 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 51 1.293 -5.114 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.927 -4.599 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.719 -3.635 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.598 -6.090 -4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.398 -7.336 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.045 -6.944 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.432 -2.586 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.612 -3.082 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.401 -4.060 -4.710 1.00 0.00 H new ATOM 754 N ASN A 52 0.930 -7.677 -0.570 1.00 0.00 N ATOM 755 CA ASN A 52 1.364 -8.995 -0.141 1.00 0.00 C ATOM 756 C ASN A 52 0.225 -9.683 0.614 1.00 0.00 C ATOM 757 O ASN A 52 -0.112 -10.830 0.327 1.00 0.00 O ATOM 758 CB ASN A 52 2.566 -8.899 0.802 1.00 0.00 C ATOM 759 CG ASN A 52 3.548 -10.047 0.558 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.228 -11.052 -0.055 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.757 -9.842 1.071 1.00 0.00 N ATOM 0 H ASN A 52 1.598 -6.928 -0.389 1.00 0.00 H new ATOM 0 HA ASN A 52 1.645 -9.562 -1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.073 -7.945 0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.224 -8.922 1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.484 -10.549 0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.958 -8.977 1.573 1.00 0.00 H new ATOM 768 N ARG A 53 -0.338 -8.952 1.565 1.00 0.00 N ATOM 769 CA ARG A 53 -1.433 -9.476 2.364 1.00 0.00 C ATOM 770 C ARG A 53 -2.558 -9.979 1.456 1.00 0.00 C ATOM 771 O ARG A 53 -2.858 -11.172 1.437 1.00 0.00 O ATOM 772 CB ARG A 53 -1.987 -8.408 3.308 1.00 0.00 C ATOM 773 CG ARG A 53 -1.370 -8.535 4.702 1.00 0.00 C ATOM 774 CD ARG A 53 -0.181 -7.585 4.863 1.00 0.00 C ATOM 775 NE ARG A 53 1.077 -8.286 4.521 1.00 0.00 N ATOM 776 CZ ARG A 53 1.660 -9.207 5.301 1.00 0.00 C ATOM 777 NH1 ARG A 53 1.103 -9.542 6.473 1.00 0.00 N ATOM 778 NH2 ARG A 53 2.800 -9.791 4.910 1.00 0.00 N ATOM 0 H ARG A 53 -0.056 -8.000 1.800 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.044 -10.302 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.780 -7.417 2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.071 -8.504 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.123 -8.313 5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.045 -9.562 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.310 -6.716 4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.135 -7.217 5.888 1.00 0.00 H new ATOM 0 HE ARG A 53 1.528 -8.054 3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.235 -9.096 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.547 -10.243 7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.225 -9.535 4.019 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.244 -10.492 5.504 1.00 0.00 H new ATOM 792 N LEU A 54 -3.149 -9.044 0.727 1.00 0.00 N ATOM 793 CA LEU A 54 -4.234 -9.378 -0.180 1.00 0.00 C ATOM 794 C LEU A 54 -3.812 -10.554 -1.063 1.00 0.00 C ATOM 795 O LEU A 54 -4.591 -11.479 -1.285 1.00 0.00 O ATOM 796 CB LEU A 54 -4.672 -8.142 -0.969 1.00 0.00 C ATOM 797 CG LEU A 54 -5.256 -6.993 -0.145 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.623 -5.808 -1.041 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.445 -7.467 0.693 1.00 0.00 C ATOM 0 H LEU A 54 -2.897 -8.056 0.746 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.113 -9.699 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.812 -7.765 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.415 -8.450 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.490 -6.648 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.036 -5.005 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.731 -5.451 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.364 -6.123 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.841 -6.630 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.223 -7.855 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.120 -8.254 1.373 1.00 0.00 H new ATOM 811 N LEU A 55 -2.579 -10.479 -1.544 1.00 0.00 N ATOM 812 CA LEU A 55 -2.044 -11.525 -2.398 1.00 0.00 C ATOM 813 C LEU A 55 -2.234 -12.881 -1.715 1.00 0.00 C ATOM 814 O LEU A 55 -2.877 -13.773 -2.266 1.00 0.00 O ATOM 815 CB LEU A 55 -0.591 -11.222 -2.771 1.00 0.00 C ATOM 816 CG LEU A 55 -0.380 -10.091 -3.779 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.104 -9.742 -3.908 1.00 0.00 C ATOM 818 CD2 LEU A 55 -1.007 -10.437 -5.131 1.00 0.00 C ATOM 0 H LEU A 55 -1.936 -9.710 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.589 -11.563 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.046 -10.976 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.143 -12.130 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.889 -9.202 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.227 -8.935 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.488 -9.423 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.656 -10.619 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.843 -9.616 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.548 -11.344 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.078 -10.597 -5.005 1.00 0.00 H new ATOM 830 N SER A 56 -1.662 -12.994 -0.525 1.00 0.00 N ATOM 831 CA SER A 56 -1.760 -14.226 0.238 1.00 0.00 C ATOM 832 C SER A 56 -3.214 -14.476 0.644 1.00 0.00 C ATOM 833 O SER A 56 -3.780 -15.521 0.327 1.00 0.00 O ATOM 834 CB SER A 56 -0.863 -14.179 1.477 1.00 0.00 C ATOM 835 OG SER A 56 -0.251 -15.438 1.741 1.00 0.00 O ATOM 0 H SER A 56 -1.129 -12.252 -0.071 1.00 0.00 H new ATOM 0 HA SER A 56 -1.420 -15.047 -0.393 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.091 -13.423 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.454 -13.875 2.341 1.00 0.00 H new ATOM 0 HG SER A 56 0.315 -15.366 2.538 1.00 0.00 H new ATOM 841 N MET A 57 -3.776 -13.499 1.341 1.00 0.00 N ATOM 842 CA MET A 57 -5.153 -13.600 1.793 1.00 0.00 C ATOM 843 C MET A 57 -6.026 -14.294 0.745 1.00 0.00 C ATOM 844 O MET A 57 -6.972 -15.001 1.090 1.00 0.00 O ATOM 845 CB MET A 57 -5.704 -12.199 2.070 1.00 0.00 C ATOM 846 CG MET A 57 -4.988 -11.554 3.258 1.00 0.00 C ATOM 847 SD MET A 57 -6.181 -11.038 4.482 1.00 0.00 S ATOM 848 CE MET A 57 -5.823 -9.291 4.547 1.00 0.00 C ATOM 0 H MET A 57 -3.303 -12.634 1.603 1.00 0.00 H new ATOM 0 HA MET A 57 -5.173 -14.195 2.706 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.582 -11.575 1.185 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.773 -12.258 2.274 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.286 -12.262 3.698 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.406 -10.696 2.921 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.380 -8.836 5.366 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.755 -9.144 4.709 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.114 -8.825 3.606 1.00 0.00 H new ATOM 858 N GLY A 58 -5.676 -14.068 -0.512 1.00 0.00 N ATOM 859 CA GLY A 58 -6.416 -14.663 -1.613 1.00 0.00 C ATOM 860 C GLY A 58 -7.486 -13.703 -2.137 1.00 0.00 C ATOM 861 O GLY A 58 -8.379 -14.108 -2.879 1.00 0.00 O ATOM 0 H GLY A 58 -4.890 -13.482 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.730 -14.923 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.885 -15.590 -1.282 1.00 0.00 H new ATOM 865 N GLN A 59 -7.360 -12.448 -1.730 1.00 0.00 N ATOM 866 CA GLN A 59 -8.305 -11.427 -2.149 1.00 0.00 C ATOM 867 C GLN A 59 -7.817 -10.745 -3.429 1.00 0.00 C ATOM 868 O GLN A 59 -8.617 -10.406 -4.300 1.00 0.00 O ATOM 869 CB GLN A 59 -8.535 -10.403 -1.036 1.00 0.00 C ATOM 870 CG GLN A 59 -8.828 -11.097 0.296 1.00 0.00 C ATOM 871 CD GLN A 59 -10.307 -10.970 0.666 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.190 -11.449 -0.026 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.527 -10.299 1.793 1.00 0.00 N ATOM 0 H GLN A 59 -6.618 -12.115 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.260 -11.908 -2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.655 -9.768 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.368 -9.752 -1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.555 -12.150 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.214 -10.658 1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.742 -9.924 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.481 -10.160 2.126 1.00 0.00 H new ATOM 882 N LEU A 60 -6.506 -10.565 -3.503 1.00 0.00 N ATOM 883 CA LEU A 60 -5.902 -9.930 -4.662 1.00 0.00 C ATOM 884 C LEU A 60 -5.141 -10.980 -5.474 1.00 0.00 C ATOM 885 O LEU A 60 -4.679 -11.979 -4.926 1.00 0.00 O ATOM 886 CB LEU A 60 -5.040 -8.741 -4.233 1.00 0.00 C ATOM 887 CG LEU A 60 -4.156 -8.127 -5.320 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.991 -7.695 -6.527 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.320 -6.975 -4.760 1.00 0.00 C ATOM 0 H LEU A 60 -5.845 -10.848 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.671 -9.517 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.697 -7.963 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.401 -9.059 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.460 -8.891 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.338 -7.262 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.505 -8.562 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.726 -6.953 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.701 -6.556 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.982 -6.202 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.681 -7.345 -3.958 1.00 0.00 H new ATOM 901 N ASP A 61 -5.035 -10.717 -6.769 1.00 0.00 N ATOM 902 CA ASP A 61 -4.338 -11.627 -7.662 1.00 0.00 C ATOM 903 C ASP A 61 -3.200 -10.878 -8.359 1.00 0.00 C ATOM 904 O ASP A 61 -3.403 -9.788 -8.891 1.00 0.00 O ATOM 905 CB ASP A 61 -5.278 -12.167 -8.741 1.00 0.00 C ATOM 906 CG ASP A 61 -5.400 -13.692 -8.788 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.434 -14.352 -8.349 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.457 -14.162 -9.261 1.00 0.00 O ATOM 0 H ASP A 61 -5.420 -9.887 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.956 -12.457 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.270 -11.743 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.932 -11.815 -9.713 1.00 0.00 H new ATOM 913 N LEU A 62 -2.026 -11.493 -8.333 1.00 0.00 N ATOM 914 CA LEU A 62 -0.856 -10.899 -8.955 1.00 0.00 C ATOM 915 C LEU A 62 -0.728 -11.416 -10.390 1.00 0.00 C ATOM 916 O LEU A 62 -0.974 -12.592 -10.653 1.00 0.00 O ATOM 917 CB LEU A 62 0.389 -11.144 -8.100 1.00 0.00 C ATOM 918 CG LEU A 62 1.322 -9.946 -7.914 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.645 -10.375 -7.276 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.536 -9.207 -9.237 1.00 0.00 C ATOM 0 H LEU A 62 -1.861 -12.397 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.965 -9.816 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.068 -11.485 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.959 -11.957 -8.549 1.00 0.00 H new ATOM 0 HG LEU A 62 0.846 -9.246 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.290 -9.504 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.451 -10.821 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.138 -11.105 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.203 -8.360 -9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.980 -9.886 -9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.578 -8.848 -9.613 1.00 0.00 H new ATOM 932 N LEU A 63 -0.344 -10.512 -11.279 1.00 0.00 N ATOM 933 CA LEU A 63 -0.180 -10.862 -12.679 1.00 0.00 C ATOM 934 C LEU A 63 1.057 -10.155 -13.236 1.00 0.00 C ATOM 935 O LEU A 63 1.033 -8.948 -13.472 1.00 0.00 O ATOM 936 CB LEU A 63 -1.462 -10.564 -13.459 1.00 0.00 C ATOM 937 CG LEU A 63 -2.174 -11.774 -14.069 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.693 -11.628 -13.961 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.721 -12.007 -15.511 1.00 0.00 C ATOM 0 H LEU A 63 -0.142 -9.537 -11.057 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.010 -11.933 -12.786 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.159 -10.055 -12.793 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.221 -9.867 -14.261 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.895 -12.659 -13.497 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.175 -12.501 -14.402 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.977 -11.548 -12.912 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.011 -10.731 -14.492 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.242 -12.872 -15.921 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.951 -11.127 -16.111 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.646 -12.188 -15.530 1.00 0.00 H new ATOM 951 N ARG A 64 2.109 -10.937 -13.431 1.00 0.00 N ATOM 952 CA ARG A 64 3.353 -10.401 -13.956 1.00 0.00 C ATOM 953 C ARG A 64 3.227 -10.141 -15.458 1.00 0.00 C ATOM 954 O ARG A 64 3.210 -11.078 -16.255 1.00 0.00 O ATOM 955 CB ARG A 64 4.516 -11.364 -13.708 1.00 0.00 C ATOM 956 CG ARG A 64 5.644 -10.675 -12.938 1.00 0.00 C ATOM 957 CD ARG A 64 6.832 -11.619 -12.743 1.00 0.00 C ATOM 958 NE ARG A 64 6.543 -12.580 -11.656 1.00 0.00 N ATOM 959 CZ ARG A 64 7.474 -13.320 -11.040 1.00 0.00 C ATOM 960 NH1 ARG A 64 8.760 -13.215 -11.401 1.00 0.00 N ATOM 961 NH2 ARG A 64 7.120 -14.167 -10.064 1.00 0.00 N ATOM 0 H ARG A 64 2.125 -11.938 -13.235 1.00 0.00 H new ATOM 0 HA ARG A 64 3.555 -9.464 -13.437 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.163 -12.229 -13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.895 -11.735 -14.660 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.967 -9.785 -13.478 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.276 -10.343 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.036 -12.156 -13.669 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.727 -11.045 -12.504 1.00 0.00 H new ATOM 0 HE ARG A 64 5.574 -12.686 -11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.030 -12.571 -12.145 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.469 -13.779 -10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.141 -14.249 -9.790 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.830 -14.730 -9.595 1.00 0.00 H new ATOM 975 N SER A 65 3.142 -8.864 -15.800 1.00 0.00 N ATOM 976 CA SER A 65 3.018 -8.469 -17.193 1.00 0.00 C ATOM 977 C SER A 65 4.399 -8.159 -17.774 1.00 0.00 C ATOM 978 O SER A 65 5.381 -8.072 -17.038 1.00 0.00 O ATOM 979 CB SER A 65 2.096 -7.257 -17.342 1.00 0.00 C ATOM 980 OG SER A 65 2.400 -6.494 -18.506 1.00 0.00 O ATOM 0 H SER A 65 3.157 -8.089 -15.137 1.00 0.00 H new ATOM 0 HA SER A 65 2.576 -9.298 -17.745 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.060 -7.593 -17.389 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.185 -6.623 -16.460 1.00 0.00 H new ATOM 0 HG SER A 65 1.788 -5.731 -18.566 1.00 0.00 H new ATOM 1021 N LEU A 69 4.235 -5.626 -12.993 1.00 0.00 N ATOM 1022 CA LEU A 69 3.253 -6.565 -12.479 1.00 0.00 C ATOM 1023 C LEU A 69 1.869 -5.913 -12.500 1.00 0.00 C ATOM 1024 O LEU A 69 1.754 -4.697 -12.642 1.00 0.00 O ATOM 1025 CB LEU A 69 3.671 -7.076 -11.099 1.00 0.00 C ATOM 1026 CG LEU A 69 5.144 -6.887 -10.732 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.436 -7.437 -9.334 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.057 -7.505 -11.793 1.00 0.00 C ATOM 0 HA LEU A 69 3.200 -7.447 -13.117 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.062 -6.573 -10.348 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.436 -8.139 -11.040 1.00 0.00 H new ATOM 0 HG LEU A 69 5.355 -5.818 -10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.490 -7.290 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.823 -6.912 -8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.203 -8.501 -9.306 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.099 -7.357 -11.508 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.851 -8.572 -11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.873 -7.027 -12.755 1.00 0.00 H new ATOM 1040 N LEU A 70 0.853 -6.751 -12.356 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.519 -6.271 -12.356 1.00 0.00 C ATOM 1042 C LEU A 70 -1.281 -6.915 -11.197 1.00 0.00 C ATOM 1043 O LEU A 70 -0.933 -8.009 -10.753 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.167 -6.502 -13.723 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.697 -6.471 -13.753 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.207 -5.911 -15.082 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.279 -7.854 -13.453 1.00 0.00 C ATOM 0 H LEU A 70 0.952 -7.759 -12.239 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.546 -5.193 -12.194 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.794 -5.745 -14.413 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.835 -7.469 -14.102 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.041 -5.799 -12.967 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.297 -5.900 -15.078 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.834 -4.896 -15.216 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.854 -6.538 -15.901 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.368 -7.804 -13.480 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.929 -8.566 -14.201 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.955 -8.178 -12.464 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.306 -6.211 -10.740 1.00 0.00 N ATOM 1060 CA TYR A 71 -3.119 -6.701 -9.640 1.00 0.00 C ATOM 1061 C TYR A 71 -4.609 -6.606 -9.976 1.00 0.00 C ATOM 1062 O TYR A 71 -5.121 -5.520 -10.243 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.817 -5.786 -8.452 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.325 -5.542 -8.218 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.456 -6.611 -8.137 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.849 -4.254 -8.087 1.00 0.00 C ATOM 1067 CE1 TYR A 71 0.949 -6.381 -7.917 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.555 -4.024 -7.867 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.385 -5.099 -7.793 1.00 0.00 C ATOM 1070 OH TYR A 71 2.711 -4.882 -7.585 1.00 0.00 O ATOM 0 H TYR A 71 -2.592 -5.305 -11.111 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.892 -7.746 -9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.311 -4.827 -8.610 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.249 -6.222 -7.551 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.829 -7.619 -8.238 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.530 -3.418 -8.149 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.640 -7.208 -7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.941 -3.021 -7.763 1.00 0.00 H new ATOM 0 HH TYR A 71 2.869 -3.924 -7.453 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.263 -7.758 -9.952 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.684 -7.818 -10.251 1.00 0.00 C ATOM 1082 C ARG A 72 -7.424 -8.588 -9.156 1.00 0.00 C ATOM 1083 O ARG A 72 -6.805 -9.095 -8.222 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.935 -8.496 -11.600 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.235 -9.985 -11.418 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.156 -10.727 -12.753 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.717 -12.090 -12.609 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.417 -13.115 -13.418 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.560 -12.939 -14.433 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -7.974 -14.316 -13.211 1.00 0.00 N ATOM 0 H ARG A 72 -4.835 -8.657 -9.730 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.057 -6.795 -10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.771 -8.012 -12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.062 -8.373 -12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.525 -10.419 -10.714 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.228 -10.109 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.706 -10.177 -13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.120 -10.785 -13.086 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.373 -12.259 -11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.136 -12.025 -14.590 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.332 -13.719 -15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.626 -14.449 -12.438 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.746 -15.097 -13.826 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.739 -8.651 -9.307 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.571 -9.350 -8.342 1.00 0.00 C ATOM 1106 C ILE A 73 -9.363 -10.858 -8.495 1.00 0.00 C ATOM 1107 O ILE A 73 -9.479 -11.396 -9.595 1.00 0.00 O ATOM 1108 CB ILE A 73 -11.031 -8.913 -8.476 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.439 -7.999 -7.319 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.956 -10.125 -8.603 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.122 -8.648 -5.970 1.00 0.00 C ATOM 0 H ILE A 73 -9.249 -8.229 -10.083 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.277 -9.089 -7.325 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.131 -8.334 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.915 -7.047 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.505 -7.782 -7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.988 -9.787 -8.697 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.681 -10.701 -9.486 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.859 -10.751 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.422 -7.978 -5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.667 -9.588 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.051 -8.841 -5.902 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.060 -11.498 -7.375 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.836 -12.934 -7.371 1.00 0.00 C ATOM 1125 C LYS A 74 -10.139 -13.651 -7.728 1.00 0.00 C ATOM 1126 O LYS A 74 -11.172 -13.417 -7.102 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.236 -13.378 -6.035 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.432 -14.670 -6.198 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.265 -14.718 -5.210 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.846 -16.162 -4.927 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.548 -16.461 -5.572 1.00 0.00 N ATOM 0 H LYS A 74 -8.964 -11.049 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.104 -13.207 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.592 -12.591 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.033 -13.531 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.083 -15.530 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.053 -14.741 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.419 -14.162 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.552 -14.229 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.769 -16.320 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.609 -16.847 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.278 -17.445 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.633 -16.329 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.819 -15.819 -5.200 1.00 0.00 H new