USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 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 : no HD1:sc= -2.79! C(o=-2.3!,f=-5.4!) USER MOD Set 1.2: A 51 SER OG : rot -134:sc= 0.47 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00403 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.124 F(o=-1,f=-0.12) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0474) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.0109 (180deg=-0.214) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.627 K(o=0.63,f=-0.3) USER MOD Single : A 32 GLN : amide:sc= 0.248 K(o=0.25,f=-7!) USER MOD Single : A 39 HIS : no HD1:sc= -0.587 X(o=-0.59,f=-0.1) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -1.6 F(o=-3.9!,f=-1.6) USER MOD Single : A 55 HIS : no HD1:sc= -0.659 X(o=-0.66,f=-1.2) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 58 ASN : amide:sc= -0.437 K(o=-0.44,f=-3.9!) USER MOD Single : A 60 SER OG : rot -110:sc= -1.2 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -1.28 F(o=-2.1,f=-1.3) USER MOD Single : A 67 HIS : no HE2:sc= 0.734 K(o=0.73,f=-4.9!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ -143:sc= -0.367 (180deg=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 12.834 -0.055 3.735 1.00 0.00 N ATOM 125 CA CYS A 9 13.843 0.518 2.864 1.00 0.00 C ATOM 126 C CYS A 9 13.924 -0.297 1.582 1.00 0.00 C ATOM 127 O CYS A 9 14.756 -1.196 1.448 1.00 0.00 O ATOM 128 CB CYS A 9 15.205 0.564 3.564 1.00 0.00 C ATOM 129 SG CYS A 9 15.214 1.537 5.105 1.00 0.00 S ATOM 0 HA CYS A 9 13.562 1.543 2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.522 -0.455 3.788 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.941 0.983 2.878 1.00 0.00 H new ATOM 134 N CYS A 10 13.016 -0.010 0.663 1.00 0.00 N ATOM 135 CA CYS A 10 12.921 -0.753 -0.584 1.00 0.00 C ATOM 136 C CYS A 10 14.147 -0.575 -1.465 1.00 0.00 C ATOM 137 O CYS A 10 14.500 0.539 -1.848 1.00 0.00 O ATOM 138 CB CYS A 10 11.678 -0.333 -1.358 1.00 0.00 C ATOM 139 SG CYS A 10 10.123 -0.958 -0.659 1.00 0.00 S ATOM 0 H CYS A 10 12.329 0.738 0.758 1.00 0.00 H new ATOM 0 HA CYS A 10 12.856 -1.807 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.636 0.756 -1.394 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.768 -0.683 -2.386 1.00 0.00 H new ATOM 144 N THR A 11 14.805 -1.685 -1.755 1.00 0.00 N ATOM 145 CA THR A 11 15.834 -1.724 -2.777 1.00 0.00 C ATOM 146 C THR A 11 15.328 -2.490 -3.995 1.00 0.00 C ATOM 147 O THR A 11 16.066 -2.739 -4.949 1.00 0.00 O ATOM 148 CB THR A 11 17.118 -2.377 -2.242 1.00 0.00 C ATOM 149 OG1 THR A 11 16.779 -3.433 -1.329 1.00 0.00 O ATOM 150 CG2 THR A 11 17.996 -1.347 -1.549 1.00 0.00 C ATOM 0 H THR A 11 14.641 -2.579 -1.291 1.00 0.00 H new ATOM 0 HA THR A 11 16.068 -0.699 -3.066 1.00 0.00 H new ATOM 0 HB THR A 11 17.676 -2.792 -3.081 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.599 -3.849 -0.991 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.900 -1.830 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.268 -0.565 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.451 -0.907 -0.714 1.00 0.00 H new ATOM 158 N GLN A 12 14.047 -2.838 -3.948 1.00 0.00 N ATOM 159 CA GLN A 12 13.395 -3.582 -5.015 1.00 0.00 C ATOM 160 C GLN A 12 11.943 -3.142 -5.155 1.00 0.00 C ATOM 161 O GLN A 12 11.343 -2.651 -4.199 1.00 0.00 O ATOM 162 CB GLN A 12 13.497 -5.104 -4.786 1.00 0.00 C ATOM 163 CG GLN A 12 13.415 -5.567 -3.327 1.00 0.00 C ATOM 164 CD GLN A 12 12.083 -5.273 -2.656 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.019 -4.165 -1.937 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 11.142 -6.063 -2.740 1.00 0.00 N flip ATOM 0 H GLN A 12 13.432 -2.611 -3.167 1.00 0.00 H new ATOM 0 HA GLN A 12 13.913 -3.362 -5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.699 -5.591 -5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.441 -5.453 -5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.601 -6.640 -3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.210 -5.084 -2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.233 -6.907 -3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.271 -5.874 -2.244 1.00 0.00 H new ATOM 175 N LEU A 13 11.402 -3.283 -6.351 1.00 0.00 N ATOM 176 CA LEU A 13 10.025 -2.908 -6.623 1.00 0.00 C ATOM 177 C LEU A 13 9.336 -4.034 -7.381 1.00 0.00 C ATOM 178 O LEU A 13 9.891 -4.574 -8.339 1.00 0.00 O ATOM 179 CB LEU A 13 9.980 -1.604 -7.428 1.00 0.00 C ATOM 180 CG LEU A 13 10.612 -0.394 -6.730 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.792 0.759 -7.703 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.762 0.045 -5.547 1.00 0.00 C ATOM 0 H LEU A 13 11.901 -3.658 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 13 9.501 -2.742 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.488 -1.763 -8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.940 -1.371 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 13 11.594 -0.692 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.242 1.606 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.442 0.447 -8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.821 1.053 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.227 0.905 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.766 0.319 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.683 -0.774 -4.832 1.00 0.00 H new ATOM 194 N TYR A 14 8.137 -4.396 -6.936 1.00 0.00 N ATOM 195 CA TYR A 14 7.422 -5.541 -7.489 1.00 0.00 C ATOM 196 C TYR A 14 7.081 -5.326 -8.963 1.00 0.00 C ATOM 197 O TYR A 14 7.186 -6.251 -9.772 1.00 0.00 O ATOM 198 CB TYR A 14 6.146 -5.793 -6.684 1.00 0.00 C ATOM 199 CG TYR A 14 5.673 -7.228 -6.716 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.245 -8.179 -5.882 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.651 -7.630 -7.566 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.810 -9.490 -5.890 1.00 0.00 C ATOM 203 CE2 TYR A 14 4.211 -8.941 -7.584 1.00 0.00 C ATOM 204 CZ TYR A 14 4.796 -9.866 -6.744 1.00 0.00 C ATOM 205 OH TYR A 14 4.354 -11.169 -6.746 1.00 0.00 O ATOM 0 H TYR A 14 7.638 -3.910 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 14 8.072 -6.413 -7.421 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.318 -5.501 -5.648 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.353 -5.151 -7.068 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.044 -7.889 -5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.192 -6.907 -8.224 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.262 -10.216 -5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.415 -9.239 -8.251 1.00 0.00 H new ATOM 0 HH TYR A 14 3.635 -11.269 -7.404 1.00 0.00 H new ATOM 215 N ARG A 15 6.668 -4.099 -9.286 1.00 0.00 N ATOM 216 CA ARG A 15 6.320 -3.692 -10.655 1.00 0.00 C ATOM 217 C ARG A 15 5.015 -4.325 -11.138 1.00 0.00 C ATOM 218 O ARG A 15 4.115 -3.618 -11.597 1.00 0.00 O ATOM 219 CB ARG A 15 7.446 -4.008 -11.648 1.00 0.00 C ATOM 220 CG ARG A 15 8.674 -3.127 -11.501 1.00 0.00 C ATOM 221 CD ARG A 15 8.316 -1.647 -11.528 1.00 0.00 C ATOM 222 NE ARG A 15 7.373 -1.320 -12.603 1.00 0.00 N ATOM 223 CZ ARG A 15 7.119 -0.086 -13.035 1.00 0.00 C ATOM 224 NH1 ARG A 15 7.816 0.951 -12.584 1.00 0.00 N ATOM 225 NH2 ARG A 15 6.176 0.106 -13.945 1.00 0.00 N ATOM 0 H ARG A 15 6.564 -3.351 -8.601 1.00 0.00 H new ATOM 0 HA ARG A 15 6.179 -2.612 -10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.743 -5.049 -11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.059 -3.906 -12.662 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.179 -3.361 -10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.376 -3.346 -12.305 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.882 -1.363 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.225 -1.058 -11.654 1.00 0.00 H new ATOM 0 HE ARG A 15 6.878 -2.091 -13.051 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.557 0.808 -11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.610 1.890 -12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.650 -0.688 -14.310 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.976 1.048 -14.281 1.00 0.00 H new ATOM 239 N LYS A 16 4.926 -5.646 -11.045 1.00 0.00 N ATOM 240 CA LYS A 16 3.749 -6.376 -11.494 1.00 0.00 C ATOM 241 C LYS A 16 2.509 -5.971 -10.705 1.00 0.00 C ATOM 242 O LYS A 16 2.575 -5.773 -9.490 1.00 0.00 O ATOM 243 CB LYS A 16 3.972 -7.881 -11.358 1.00 0.00 C ATOM 244 CG LYS A 16 4.999 -8.439 -12.326 1.00 0.00 C ATOM 245 CD LYS A 16 5.107 -9.945 -12.191 1.00 0.00 C ATOM 246 CE LYS A 16 5.982 -10.553 -13.277 1.00 0.00 C ATOM 247 NZ LYS A 16 7.364 -10.006 -13.262 1.00 0.00 N ATOM 0 H LYS A 16 5.662 -6.237 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 16 3.587 -6.126 -12.543 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.290 -8.101 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.023 -8.395 -11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.720 -8.180 -13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.970 -7.982 -12.135 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.519 -10.193 -11.213 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.111 -10.386 -12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.021 -11.634 -13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.530 -10.366 -14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.944 -10.510 -13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.339 -8.993 -13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.777 -10.132 -12.316 1.00 0.00 H new ATOM 261 N PRO A 17 1.368 -5.826 -11.396 1.00 0.00 N ATOM 262 CA PRO A 17 0.089 -5.498 -10.763 1.00 0.00 C ATOM 263 C PRO A 17 -0.346 -6.566 -9.768 1.00 0.00 C ATOM 264 O PRO A 17 -0.418 -7.754 -10.104 1.00 0.00 O ATOM 265 CB PRO A 17 -0.896 -5.432 -11.940 1.00 0.00 C ATOM 266 CG PRO A 17 -0.045 -5.235 -13.144 1.00 0.00 C ATOM 267 CD PRO A 17 1.239 -5.956 -12.855 1.00 0.00 C ATOM 0 HA PRO A 17 0.145 -4.572 -10.191 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.482 -6.348 -12.016 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.603 -4.611 -11.818 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.528 -5.637 -14.035 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.134 -4.176 -13.328 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.195 -7.000 -13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.082 -5.504 -13.377 1.00 0.00 H new ATOM 275 N LEU A 18 -0.636 -6.142 -8.545 1.00 0.00 N ATOM 276 CA LEU A 18 -1.058 -7.065 -7.503 1.00 0.00 C ATOM 277 C LEU A 18 -2.487 -7.533 -7.741 1.00 0.00 C ATOM 278 O LEU A 18 -3.290 -6.832 -8.362 1.00 0.00 O ATOM 279 CB LEU A 18 -0.951 -6.420 -6.117 1.00 0.00 C ATOM 280 CG LEU A 18 0.465 -6.043 -5.674 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.456 -5.527 -4.244 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.403 -7.233 -5.801 1.00 0.00 C ATOM 0 H LEU A 18 -0.587 -5.166 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.391 -7.927 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.568 -5.522 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.372 -7.106 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 18 0.827 -5.249 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.471 -5.264 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.181 -4.645 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.072 -6.302 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.404 -6.943 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.043 -8.048 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.435 -7.562 -6.840 1.00 0.00 H new ATOM 294 N SER A 19 -2.795 -8.719 -7.249 1.00 0.00 N ATOM 295 CA SER A 19 -4.119 -9.289 -7.409 1.00 0.00 C ATOM 296 C SER A 19 -5.077 -8.736 -6.362 1.00 0.00 C ATOM 297 O SER A 19 -4.710 -8.560 -5.201 1.00 0.00 O ATOM 298 CB SER A 19 -4.035 -10.808 -7.308 1.00 0.00 C ATOM 299 OG SER A 19 -3.066 -11.312 -8.210 1.00 0.00 O ATOM 0 H SER A 19 -2.142 -9.308 -6.733 1.00 0.00 H new ATOM 0 HA SER A 19 -4.504 -9.016 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.777 -11.097 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.008 -11.247 -7.527 1.00 0.00 H new ATOM 0 HG SER A 19 -3.023 -12.288 -8.132 1.00 0.00 H new ATOM 305 N ASP A 20 -6.306 -8.473 -6.780 1.00 0.00 N ATOM 306 CA ASP A 20 -7.317 -7.890 -5.902 1.00 0.00 C ATOM 307 C ASP A 20 -7.641 -8.838 -4.754 1.00 0.00 C ATOM 308 O ASP A 20 -8.010 -8.407 -3.659 1.00 0.00 O ATOM 309 CB ASP A 20 -8.589 -7.597 -6.692 1.00 0.00 C ATOM 310 CG ASP A 20 -9.417 -6.481 -6.092 1.00 0.00 C ATOM 311 OD1 ASP A 20 -8.838 -5.469 -5.640 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.658 -6.613 -6.040 1.00 0.00 O ATOM 0 H ASP A 20 -6.632 -8.655 -7.729 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.920 -6.961 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.321 -7.333 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.194 -8.502 -6.744 1.00 0.00 H new ATOM 317 N LYS A 21 -7.492 -10.134 -5.018 1.00 0.00 N ATOM 318 CA LYS A 21 -7.754 -11.171 -4.028 1.00 0.00 C ATOM 319 C LYS A 21 -6.840 -11.023 -2.819 1.00 0.00 C ATOM 320 O LYS A 21 -7.288 -11.122 -1.679 1.00 0.00 O ATOM 321 CB LYS A 21 -7.572 -12.556 -4.647 1.00 0.00 C ATOM 322 CG LYS A 21 -8.626 -12.903 -5.682 1.00 0.00 C ATOM 323 CD LYS A 21 -8.345 -14.242 -6.335 1.00 0.00 C ATOM 324 CE LYS A 21 -9.490 -14.673 -7.237 1.00 0.00 C ATOM 325 NZ LYS A 21 -10.717 -14.994 -6.456 1.00 0.00 N ATOM 0 H LYS A 21 -7.187 -10.492 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.786 -11.059 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.587 -12.611 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.593 -13.304 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.608 -12.927 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.658 -12.125 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.426 -14.178 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.183 -14.997 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.710 -13.879 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.188 -15.546 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.384 -15.518 -7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.462 -15.576 -5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.163 -14.112 -6.132 1.00 0.00 H new ATOM 339 N LEU A 22 -5.555 -10.797 -3.066 1.00 0.00 N ATOM 340 CA LEU A 22 -4.614 -10.580 -1.978 1.00 0.00 C ATOM 341 C LEU A 22 -4.817 -9.195 -1.376 1.00 0.00 C ATOM 342 O LEU A 22 -4.486 -8.961 -0.215 1.00 0.00 O ATOM 343 CB LEU A 22 -3.158 -10.800 -2.432 1.00 0.00 C ATOM 344 CG LEU A 22 -2.612 -9.860 -3.514 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.072 -8.573 -2.905 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.529 -10.563 -4.315 1.00 0.00 C ATOM 0 H LEU A 22 -5.146 -10.760 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.812 -11.320 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.515 -10.717 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.069 -11.823 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.432 -9.594 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.692 -7.927 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.872 -8.060 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.265 -8.809 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.147 -9.888 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.716 -10.855 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.946 -11.451 -4.789 1.00 0.00 H new ATOM 358 N LEU A 23 -5.357 -8.275 -2.173 1.00 0.00 N ATOM 359 CA LEU A 23 -5.607 -6.916 -1.709 1.00 0.00 C ATOM 360 C LEU A 23 -6.582 -6.896 -0.534 1.00 0.00 C ATOM 361 O LEU A 23 -6.411 -6.108 0.386 1.00 0.00 O ATOM 362 CB LEU A 23 -6.114 -6.013 -2.839 1.00 0.00 C ATOM 363 CG LEU A 23 -5.103 -5.747 -3.963 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.681 -4.784 -4.993 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.807 -5.186 -3.393 1.00 0.00 C ATOM 0 H LEU A 23 -5.629 -8.447 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.651 -6.520 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.005 -6.466 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.418 -5.058 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.889 -6.695 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.947 -4.610 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.584 -5.214 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.926 -3.838 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.102 -5.003 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.013 -4.250 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.377 -5.902 -2.693 1.00 0.00 H new ATOM 377 N ARG A 24 -7.590 -7.778 -0.531 1.00 0.00 N ATOM 378 CA ARG A 24 -8.530 -7.832 0.608 1.00 0.00 C ATOM 379 C ARG A 24 -7.825 -8.273 1.897 1.00 0.00 C ATOM 380 O ARG A 24 -8.413 -8.278 2.977 1.00 0.00 O ATOM 381 CB ARG A 24 -9.705 -8.774 0.331 1.00 0.00 C ATOM 382 CG ARG A 24 -9.345 -10.246 0.349 1.00 0.00 C ATOM 383 CD ARG A 24 -10.598 -11.110 0.355 1.00 0.00 C ATOM 384 NE ARG A 24 -11.460 -10.804 1.500 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.724 -11.213 1.625 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.281 -11.991 0.704 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.432 -10.852 2.683 1.00 0.00 N ATOM 0 H ARG A 24 -7.777 -8.447 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.914 -6.820 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.482 -8.593 1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.130 -8.528 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.736 -10.487 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.742 -10.467 1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.153 -10.954 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.315 -12.162 0.383 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.067 -10.240 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.742 -12.283 -0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.248 -12.297 0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.011 -10.262 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.398 -11.164 2.780 1.00 0.00 H new ATOM 401 N LYS A 25 -6.560 -8.613 1.760 1.00 0.00 N ATOM 402 CA LYS A 25 -5.753 -9.124 2.859 1.00 0.00 C ATOM 403 C LYS A 25 -4.723 -8.085 3.295 1.00 0.00 C ATOM 404 O LYS A 25 -3.916 -8.326 4.198 1.00 0.00 O ATOM 405 CB LYS A 25 -5.062 -10.419 2.427 1.00 0.00 C ATOM 406 CG LYS A 25 -6.041 -11.543 2.131 1.00 0.00 C ATOM 407 CD LYS A 25 -5.417 -12.639 1.282 1.00 0.00 C ATOM 408 CE LYS A 25 -4.155 -13.207 1.908 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.674 -14.414 1.187 1.00 0.00 N ATOM 0 H LYS A 25 -6.055 -8.543 0.877 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.401 -9.334 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.461 -10.225 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.377 -10.738 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.396 -11.970 3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.912 -11.138 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.141 -13.441 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.183 -12.241 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.374 -12.447 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.349 -13.460 2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.811 -14.771 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.409 -15.149 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.464 -14.167 0.199 1.00 0.00 H new ATOM 423 N VAL A 26 -4.753 -6.931 2.644 1.00 0.00 N ATOM 424 CA VAL A 26 -3.909 -5.809 3.032 1.00 0.00 C ATOM 425 C VAL A 26 -4.545 -5.110 4.229 1.00 0.00 C ATOM 426 O VAL A 26 -5.767 -5.045 4.326 1.00 0.00 O ATOM 427 CB VAL A 26 -3.738 -4.797 1.872 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.811 -3.658 2.270 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.220 -5.491 0.624 1.00 0.00 C ATOM 0 H VAL A 26 -5.355 -6.746 1.842 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.921 -6.190 3.289 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.718 -4.375 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.710 -2.963 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.227 -3.134 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.831 -4.060 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.107 -4.761 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.254 -5.948 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.927 -6.262 0.317 1.00 0.00 H new ATOM 439 N ILE A 27 -3.738 -4.619 5.154 1.00 0.00 N ATOM 440 CA ILE A 27 -4.288 -3.969 6.333 1.00 0.00 C ATOM 441 C ILE A 27 -4.155 -2.452 6.254 1.00 0.00 C ATOM 442 O ILE A 27 -5.068 -1.737 6.665 1.00 0.00 O ATOM 443 CB ILE A 27 -3.666 -4.507 7.645 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.135 -4.494 7.581 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.182 -5.911 7.929 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.464 -5.223 8.729 1.00 0.00 C ATOM 0 H ILE A 27 -2.719 -4.656 5.115 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.350 -4.214 6.352 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.966 -3.849 8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.817 -4.946 6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.791 -3.460 7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.739 -6.281 8.854 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.267 -5.886 8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.910 -6.572 7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.382 -5.169 8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.750 -4.758 9.672 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.777 -6.267 8.730 1.00 0.00 H new ATOM 458 N GLN A 28 -3.040 -1.967 5.707 1.00 0.00 N ATOM 459 CA GLN A 28 -2.809 -0.526 5.553 1.00 0.00 C ATOM 460 C GLN A 28 -1.836 -0.246 4.409 1.00 0.00 C ATOM 461 O GLN A 28 -1.064 -1.119 4.013 1.00 0.00 O ATOM 462 CB GLN A 28 -2.258 0.091 6.846 1.00 0.00 C ATOM 463 CG GLN A 28 -3.310 0.372 7.911 1.00 0.00 C ATOM 464 CD GLN A 28 -4.339 1.400 7.469 1.00 0.00 C ATOM 465 OE1 GLN A 28 -4.161 2.600 7.662 1.00 0.00 O ATOM 466 NE2 GLN A 28 -5.422 0.936 6.869 1.00 0.00 N ATOM 0 H GLN A 28 -2.279 -2.551 5.361 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.772 -0.070 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.508 -0.581 7.263 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.750 1.024 6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.819 -0.558 8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.817 0.725 8.817 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.535 -0.068 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.144 1.582 6.549 1.00 0.00 H new ATOM 475 N VAL A 29 -1.891 0.969 3.876 1.00 0.00 N ATOM 476 CA VAL A 29 -0.942 1.411 2.857 1.00 0.00 C ATOM 477 C VAL A 29 0.122 2.283 3.514 1.00 0.00 C ATOM 478 O VAL A 29 -0.207 3.248 4.203 1.00 0.00 O ATOM 479 CB VAL A 29 -1.634 2.227 1.739 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.677 2.496 0.583 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.887 1.522 1.247 1.00 0.00 C ATOM 0 H VAL A 29 -2.586 1.670 4.133 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.498 0.524 2.405 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.929 3.187 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.190 3.071 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.182 3.061 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.338 1.549 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.354 2.116 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.621 0.542 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.586 1.401 2.075 1.00 0.00 H new ATOM 491 N GLU A 30 1.386 1.950 3.314 1.00 0.00 N ATOM 492 CA GLU A 30 2.465 2.679 3.962 1.00 0.00 C ATOM 493 C GLU A 30 3.368 3.357 2.937 1.00 0.00 C ATOM 494 O GLU A 30 3.866 2.730 2.000 1.00 0.00 O ATOM 495 CB GLU A 30 3.266 1.744 4.881 1.00 0.00 C ATOM 496 CG GLU A 30 3.805 0.501 4.194 1.00 0.00 C ATOM 497 CD GLU A 30 4.308 -0.536 5.183 1.00 0.00 C ATOM 498 OE1 GLU A 30 4.636 -0.167 6.330 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.369 -1.728 4.829 1.00 0.00 O ATOM 0 H GLU A 30 1.690 1.185 2.712 1.00 0.00 H new ATOM 0 HA GLU A 30 2.026 3.465 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.101 2.300 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.630 1.438 5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.021 0.061 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.617 0.783 3.523 1.00 0.00 H new ATOM 506 N LEU A 31 3.551 4.656 3.106 1.00 0.00 N ATOM 507 CA LEU A 31 4.396 5.432 2.215 1.00 0.00 C ATOM 508 C LEU A 31 5.834 5.456 2.716 1.00 0.00 C ATOM 509 O LEU A 31 6.113 5.950 3.810 1.00 0.00 O ATOM 510 CB LEU A 31 3.855 6.863 2.097 1.00 0.00 C ATOM 511 CG LEU A 31 4.776 7.866 1.392 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.019 7.463 -0.052 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.188 9.266 1.460 1.00 0.00 C ATOM 0 H LEU A 31 3.123 5.198 3.857 1.00 0.00 H new ATOM 0 HA LEU A 31 4.385 4.961 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.906 6.830 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.642 7.235 3.099 1.00 0.00 H new ATOM 0 HG LEU A 31 5.735 7.864 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.675 8.192 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.488 6.479 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.069 7.428 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.854 9.965 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.214 9.276 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.074 9.562 2.503 1.00 0.00 H new ATOM 525 N GLN A 32 6.740 4.911 1.923 1.00 0.00 N ATOM 526 CA GLN A 32 8.155 5.003 2.224 1.00 0.00 C ATOM 527 C GLN A 32 8.664 6.381 1.828 1.00 0.00 C ATOM 528 O GLN A 32 8.771 6.695 0.639 1.00 0.00 O ATOM 529 CB GLN A 32 8.948 3.916 1.497 1.00 0.00 C ATOM 530 CG GLN A 32 10.447 4.025 1.723 1.00 0.00 C ATOM 531 CD GLN A 32 11.242 2.956 1.004 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.786 1.829 0.820 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.439 3.312 0.576 1.00 0.00 N ATOM 0 H GLN A 32 6.520 4.401 1.067 1.00 0.00 H new ATOM 0 HA GLN A 32 8.295 4.854 3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.605 2.937 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.742 3.976 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.787 5.006 1.390 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.651 3.962 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.782 4.257 0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.021 2.642 0.073 1.00 0.00 H new ATOM 542 N GLU A 33 8.937 7.211 2.826 1.00 0.00 N ATOM 543 CA GLU A 33 9.445 8.551 2.584 1.00 0.00 C ATOM 544 C GLU A 33 10.819 8.476 1.939 1.00 0.00 C ATOM 545 O GLU A 33 11.596 7.566 2.223 1.00 0.00 O ATOM 546 CB GLU A 33 9.509 9.342 3.889 1.00 0.00 C ATOM 547 CG GLU A 33 8.157 9.503 4.559 1.00 0.00 C ATOM 548 CD GLU A 33 8.233 10.297 5.846 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.694 9.744 6.864 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.829 11.479 5.848 1.00 0.00 O ATOM 0 H GLU A 33 8.814 6.978 3.811 1.00 0.00 H new ATOM 0 HA GLU A 33 8.766 9.067 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.190 8.841 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.927 10.328 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.472 9.999 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.741 8.518 4.769 1.00 0.00 H new ATOM 557 N ALA A 34 11.128 9.456 1.106 1.00 0.00 N ATOM 558 CA ALA A 34 12.323 9.416 0.271 1.00 0.00 C ATOM 559 C ALA A 34 13.575 9.825 1.035 1.00 0.00 C ATOM 560 O ALA A 34 14.558 10.253 0.430 1.00 0.00 O ATOM 561 CB ALA A 34 12.135 10.324 -0.930 1.00 0.00 C ATOM 0 H ALA A 34 10.564 10.297 0.988 1.00 0.00 H new ATOM 0 HA ALA A 34 12.463 8.385 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.029 10.293 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.276 9.987 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.965 11.346 -0.591 1.00 0.00 H new ATOM 567 N ASP A 35 13.554 9.654 2.351 1.00 0.00 N ATOM 568 CA ASP A 35 14.657 10.098 3.202 1.00 0.00 C ATOM 569 C ASP A 35 14.355 9.816 4.668 1.00 0.00 C ATOM 570 O ASP A 35 15.247 9.437 5.428 1.00 0.00 O ATOM 571 CB ASP A 35 14.912 11.596 3.011 1.00 0.00 C ATOM 572 CG ASP A 35 16.059 12.110 3.854 1.00 0.00 C ATOM 573 OD1 ASP A 35 17.229 11.849 3.501 1.00 0.00 O ATOM 574 OD2 ASP A 35 15.794 12.807 4.853 1.00 0.00 O ATOM 0 H ASP A 35 12.786 9.211 2.855 1.00 0.00 H new ATOM 0 HA ASP A 35 15.549 9.543 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.124 11.792 1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.007 12.149 3.262 1.00 0.00 H new ATOM 579 N GLY A 36 13.086 9.998 5.043 1.00 0.00 N ATOM 580 CA GLY A 36 12.654 9.833 6.428 1.00 0.00 C ATOM 581 C GLY A 36 13.130 8.538 7.062 1.00 0.00 C ATOM 582 O GLY A 36 13.582 8.527 8.207 1.00 0.00 O ATOM 0 H GLY A 36 12.338 10.261 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.022 10.673 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.565 9.868 6.467 1.00 0.00 H new ATOM 586 N ASP A 37 13.028 7.442 6.328 1.00 0.00 N ATOM 587 CA ASP A 37 13.544 6.170 6.807 1.00 0.00 C ATOM 588 C ASP A 37 14.786 5.818 6.007 1.00 0.00 C ATOM 589 O ASP A 37 15.894 5.759 6.541 1.00 0.00 O ATOM 590 CB ASP A 37 12.483 5.073 6.687 1.00 0.00 C ATOM 591 CG ASP A 37 12.840 3.838 7.491 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.420 3.990 8.588 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.539 2.719 7.039 1.00 0.00 O ATOM 0 H ASP A 37 12.596 7.407 5.405 1.00 0.00 H new ATOM 0 HA ASP A 37 13.804 6.253 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.523 5.460 7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.363 4.799 5.639 1.00 0.00 H new ATOM 598 N CYS A 38 14.593 5.630 4.713 1.00 0.00 N ATOM 599 CA CYS A 38 15.692 5.464 3.779 1.00 0.00 C ATOM 600 C CYS A 38 15.419 6.303 2.540 1.00 0.00 C ATOM 601 O CYS A 38 14.264 6.485 2.163 1.00 0.00 O ATOM 602 CB CYS A 38 15.878 3.988 3.418 1.00 0.00 C ATOM 603 SG CYS A 38 16.599 2.980 4.761 1.00 0.00 S ATOM 0 H CYS A 38 13.670 5.588 4.281 1.00 0.00 H new ATOM 0 HA CYS A 38 16.619 5.803 4.242 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.911 3.568 3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.520 3.917 2.540 1.00 0.00 H new ATOM 608 N HIS A 39 16.468 6.836 1.925 1.00 0.00 N ATOM 609 CA HIS A 39 16.302 7.765 0.806 1.00 0.00 C ATOM 610 C HIS A 39 15.839 7.071 -0.476 1.00 0.00 C ATOM 611 O HIS A 39 16.643 6.724 -1.343 1.00 0.00 O ATOM 612 CB HIS A 39 17.570 8.603 0.557 1.00 0.00 C ATOM 613 CG HIS A 39 18.868 7.845 0.573 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.861 8.099 1.493 1.00 0.00 N ATOM 615 CD2 HIS A 39 19.354 6.871 -0.237 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.898 7.319 1.250 1.00 0.00 C ATOM 617 NE2 HIS A 39 20.616 6.565 0.206 1.00 0.00 N ATOM 0 H HIS A 39 17.438 6.645 2.177 1.00 0.00 H new ATOM 0 HA HIS A 39 15.506 8.448 1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.472 9.098 -0.409 1.00 0.00 H new ATOM 0 HB3 HIS A 39 17.619 9.387 1.313 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.843 6.420 -1.075 1.00 0.00 H new ATOM 0 HE1 HIS A 39 21.821 7.302 1.811 1.00 0.00 H new ATOM 0 HE2 HIS A 39 21.236 5.867 -0.206 1.00 0.00 H new ATOM 626 N LEU A 40 14.532 6.857 -0.563 1.00 0.00 N ATOM 627 CA LEU A 40 13.886 6.322 -1.755 1.00 0.00 C ATOM 628 C LEU A 40 12.376 6.384 -1.551 1.00 0.00 C ATOM 629 O LEU A 40 11.865 5.867 -0.561 1.00 0.00 O ATOM 630 CB LEU A 40 14.345 4.877 -2.021 1.00 0.00 C ATOM 631 CG LEU A 40 13.978 4.293 -3.395 1.00 0.00 C ATOM 632 CD1 LEU A 40 14.941 3.178 -3.765 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.551 3.762 -3.404 1.00 0.00 C ATOM 0 H LEU A 40 13.884 7.052 0.200 1.00 0.00 H new ATOM 0 HA LEU A 40 14.164 6.916 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.428 4.835 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.919 4.234 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 40 14.052 5.095 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.671 2.772 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.956 3.572 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.888 2.388 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.320 3.355 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.450 2.977 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.860 4.573 -3.175 1.00 0.00 H new ATOM 645 N GLN A 41 11.673 7.044 -2.459 1.00 0.00 N ATOM 646 CA GLN A 41 10.229 7.202 -2.331 1.00 0.00 C ATOM 647 C GLN A 41 9.503 6.005 -2.927 1.00 0.00 C ATOM 648 O GLN A 41 9.591 5.745 -4.130 1.00 0.00 O ATOM 649 CB GLN A 41 9.777 8.494 -3.014 1.00 0.00 C ATOM 650 CG GLN A 41 8.324 8.856 -2.752 1.00 0.00 C ATOM 651 CD GLN A 41 8.012 10.292 -3.123 1.00 0.00 C ATOM 652 OE1 GLN A 41 8.127 11.198 -2.295 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.628 10.517 -4.367 1.00 0.00 N ATOM 0 H GLN A 41 12.075 7.478 -3.290 1.00 0.00 H new ATOM 0 HA GLN A 41 9.980 7.260 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.412 9.313 -2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.928 8.397 -4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.677 8.188 -3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.097 8.698 -1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.545 9.741 -5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.415 11.467 -4.671 1.00 0.00 H new ATOM 662 N ALA A 42 8.785 5.282 -2.077 1.00 0.00 N ATOM 663 CA ALA A 42 8.070 4.086 -2.495 1.00 0.00 C ATOM 664 C ALA A 42 6.683 4.029 -1.864 1.00 0.00 C ATOM 665 O ALA A 42 6.447 4.615 -0.809 1.00 0.00 O ATOM 666 CB ALA A 42 8.856 2.841 -2.117 1.00 0.00 C ATOM 0 H ALA A 42 8.683 5.506 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 42 7.957 4.125 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.308 1.954 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.829 2.862 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.995 2.812 -1.036 1.00 0.00 H new ATOM 672 N PHE A 43 5.774 3.320 -2.512 1.00 0.00 N ATOM 673 CA PHE A 43 4.441 3.115 -1.976 1.00 0.00 C ATOM 674 C PHE A 43 4.230 1.637 -1.703 1.00 0.00 C ATOM 675 O PHE A 43 4.086 0.835 -2.622 1.00 0.00 O ATOM 676 CB PHE A 43 3.377 3.638 -2.940 1.00 0.00 C ATOM 677 CG PHE A 43 2.682 4.875 -2.451 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.778 4.802 -1.404 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.933 6.109 -3.029 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.136 5.934 -0.944 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.294 7.246 -2.572 1.00 0.00 C ATOM 682 CZ PHE A 43 1.393 7.158 -1.529 1.00 0.00 C ATOM 0 H PHE A 43 5.937 2.875 -3.415 1.00 0.00 H new ATOM 0 HA PHE A 43 4.347 3.672 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.843 3.849 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.636 2.857 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.573 3.848 -0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.636 6.183 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.433 5.862 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.499 8.202 -3.030 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.891 8.045 -1.172 1.00 0.00 H new ATOM 692 N VAL A 44 4.223 1.284 -0.435 1.00 0.00 N ATOM 693 CA VAL A 44 4.235 -0.107 -0.039 1.00 0.00 C ATOM 694 C VAL A 44 2.900 -0.516 0.573 1.00 0.00 C ATOM 695 O VAL A 44 2.286 0.244 1.323 1.00 0.00 O ATOM 696 CB VAL A 44 5.390 -0.358 0.952 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.465 -1.817 1.365 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.697 0.094 0.320 1.00 0.00 C ATOM 0 H VAL A 44 4.209 1.945 0.342 1.00 0.00 H new ATOM 0 HA VAL A 44 4.391 -0.719 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 44 5.205 0.219 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.290 -1.956 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.531 -2.108 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.628 -2.437 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.517 -0.081 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.872 -0.470 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.640 1.157 0.087 1.00 0.00 H new ATOM 708 N LEU A 45 2.440 -1.704 0.227 1.00 0.00 N ATOM 709 CA LEU A 45 1.188 -2.215 0.752 1.00 0.00 C ATOM 710 C LEU A 45 1.459 -3.181 1.888 1.00 0.00 C ATOM 711 O LEU A 45 2.043 -4.246 1.685 1.00 0.00 O ATOM 712 CB LEU A 45 0.380 -2.896 -0.350 1.00 0.00 C ATOM 713 CG LEU A 45 -0.050 -1.968 -1.483 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.911 -2.705 -2.492 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.791 -0.766 -0.926 1.00 0.00 C ATOM 0 H LEU A 45 2.917 -2.335 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 45 0.602 -1.379 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.973 -3.709 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.509 -3.345 0.093 1.00 0.00 H new ATOM 0 HG LEU A 45 0.845 -1.619 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.204 -2.021 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.345 -3.535 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.803 -3.089 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.092 -0.113 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.676 -1.102 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.138 -0.219 -0.246 1.00 0.00 H new ATOM 727 N HIS A 46 1.035 -2.802 3.077 1.00 0.00 N ATOM 728 CA HIS A 46 1.299 -3.589 4.263 1.00 0.00 C ATOM 729 C HIS A 46 0.197 -4.618 4.465 1.00 0.00 C ATOM 730 O HIS A 46 -0.906 -4.283 4.895 1.00 0.00 O ATOM 731 CB HIS A 46 1.399 -2.674 5.492 1.00 0.00 C ATOM 732 CG HIS A 46 2.080 -3.299 6.674 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.339 -2.925 7.092 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.670 -4.256 7.537 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.673 -3.625 8.159 1.00 0.00 C ATOM 736 NE2 HIS A 46 2.678 -4.440 8.450 1.00 0.00 N ATOM 0 H HIS A 46 0.503 -1.948 3.247 1.00 0.00 H new ATOM 0 HA HIS A 46 2.247 -4.111 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.939 -1.769 5.213 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.395 -2.369 5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.725 -4.778 7.512 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.603 -3.544 8.702 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.660 -5.100 9.227 1.00 0.00 H new ATOM 745 N LEU A 47 0.482 -5.862 4.120 1.00 0.00 N ATOM 746 CA LEU A 47 -0.437 -6.947 4.418 1.00 0.00 C ATOM 747 C LEU A 47 -0.099 -7.511 5.786 1.00 0.00 C ATOM 748 O LEU A 47 0.994 -7.276 6.303 1.00 0.00 O ATOM 749 CB LEU A 47 -0.381 -8.062 3.360 1.00 0.00 C ATOM 750 CG LEU A 47 -0.866 -7.690 1.954 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.174 -6.860 1.218 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.201 -8.943 1.161 1.00 0.00 C ATOM 0 H LEU A 47 1.335 -6.144 3.637 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.452 -6.549 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.649 -8.411 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.977 -8.902 3.716 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.768 -7.087 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.197 -6.611 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.367 -5.943 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.098 -7.431 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.544 -8.662 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.312 -9.568 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.987 -9.498 1.673 1.00 0.00 H new ATOM 764 N ALA A 48 -1.015 -8.275 6.360 1.00 0.00 N ATOM 765 CA ALA A 48 -0.841 -8.782 7.718 1.00 0.00 C ATOM 766 C ALA A 48 0.218 -9.875 7.757 1.00 0.00 C ATOM 767 O ALA A 48 0.702 -10.256 8.821 1.00 0.00 O ATOM 768 CB ALA A 48 -2.163 -9.301 8.270 1.00 0.00 C ATOM 0 H ALA A 48 -1.886 -8.559 5.911 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.504 -7.958 8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.013 -9.675 9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.893 -8.492 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.530 -10.108 7.636 1.00 0.00 H new ATOM 774 N GLN A 49 0.576 -10.362 6.583 1.00 0.00 N ATOM 775 CA GLN A 49 1.541 -11.437 6.466 1.00 0.00 C ATOM 776 C GLN A 49 2.901 -10.878 6.067 1.00 0.00 C ATOM 777 O GLN A 49 3.939 -11.368 6.508 1.00 0.00 O ATOM 778 CB GLN A 49 1.061 -12.468 5.437 1.00 0.00 C ATOM 779 CG GLN A 49 -0.410 -12.846 5.591 1.00 0.00 C ATOM 780 CD GLN A 49 -1.371 -11.844 4.955 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.981 -11.254 3.833 1.00 0.00 O flip ATOM 782 NE2 GLN A 49 -2.470 -11.616 5.457 1.00 0.00 N flip ATOM 0 H GLN A 49 0.209 -10.027 5.692 1.00 0.00 H new ATOM 0 HA GLN A 49 1.639 -11.932 7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.222 -12.071 4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.670 -13.368 5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.573 -13.826 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.644 -12.937 6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.743 -12.085 6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.108 -10.958 5.010 1.00 0.00 H new ATOM 791 N ARG A 50 2.874 -9.849 5.223 1.00 0.00 N ATOM 792 CA ARG A 50 4.082 -9.180 4.753 1.00 0.00 C ATOM 793 C ARG A 50 3.700 -7.972 3.905 1.00 0.00 C ATOM 794 O ARG A 50 2.569 -7.879 3.441 1.00 0.00 O ATOM 795 CB ARG A 50 4.963 -10.151 3.949 1.00 0.00 C ATOM 796 CG ARG A 50 4.208 -10.989 2.919 1.00 0.00 C ATOM 797 CD ARG A 50 3.814 -10.182 1.692 1.00 0.00 C ATOM 798 NE ARG A 50 3.189 -11.015 0.665 1.00 0.00 N ATOM 799 CZ ARG A 50 3.757 -11.312 -0.506 1.00 0.00 C ATOM 800 NH1 ARG A 50 4.988 -10.893 -0.783 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.099 -12.039 -1.398 1.00 0.00 N ATOM 0 H ARG A 50 2.012 -9.456 4.846 1.00 0.00 H new ATOM 0 HA ARG A 50 4.658 -8.841 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.737 -9.580 3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.469 -10.822 4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.830 -11.830 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.312 -11.406 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.125 -9.390 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.698 -9.698 1.277 1.00 0.00 H new ATOM 0 HE ARG A 50 2.261 -11.393 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.505 -10.341 -0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.416 -11.124 -1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.158 -12.372 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.534 -12.265 -2.292 1.00 0.00 H new ATOM 815 N SER A 51 4.627 -7.056 3.705 1.00 0.00 N ATOM 816 CA SER A 51 4.369 -5.900 2.863 1.00 0.00 C ATOM 817 C SER A 51 4.959 -6.102 1.472 1.00 0.00 C ATOM 818 O SER A 51 6.049 -6.656 1.320 1.00 0.00 O ATOM 819 CB SER A 51 4.953 -4.638 3.490 1.00 0.00 C ATOM 820 OG SER A 51 4.406 -4.397 4.771 1.00 0.00 O ATOM 0 H SER A 51 5.562 -7.087 4.111 1.00 0.00 H new ATOM 0 HA SER A 51 3.289 -5.785 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.036 -4.736 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.756 -3.784 2.842 1.00 0.00 H new ATOM 0 HG SER A 51 4.161 -3.451 4.849 1.00 0.00 H new ATOM 826 N ILE A 52 4.220 -5.663 0.467 1.00 0.00 N ATOM 827 CA ILE A 52 4.681 -5.716 -0.909 1.00 0.00 C ATOM 828 C ILE A 52 5.057 -4.311 -1.359 1.00 0.00 C ATOM 829 O ILE A 52 4.312 -3.362 -1.112 1.00 0.00 O ATOM 830 CB ILE A 52 3.595 -6.290 -1.846 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.134 -7.661 -1.341 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.126 -6.401 -3.268 1.00 0.00 C ATOM 833 CD1 ILE A 52 1.995 -8.258 -2.140 1.00 0.00 C ATOM 0 H ILE A 52 3.289 -5.262 0.581 1.00 0.00 H new ATOM 0 HA ILE A 52 5.548 -6.375 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 52 2.741 -5.612 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.980 -8.348 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.825 -7.569 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.349 -6.807 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.417 -5.413 -3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.992 -7.062 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.726 -9.228 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.133 -7.592 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.305 -8.384 -3.177 1.00 0.00 H new ATOM 845 N CYS A 53 6.188 -4.175 -2.031 1.00 0.00 N ATOM 846 CA CYS A 53 6.711 -2.858 -2.350 1.00 0.00 C ATOM 847 C CYS A 53 6.411 -2.487 -3.792 1.00 0.00 C ATOM 848 O CYS A 53 6.754 -3.215 -4.727 1.00 0.00 O ATOM 849 CB CYS A 53 8.218 -2.816 -2.108 1.00 0.00 C ATOM 850 SG CYS A 53 8.940 -1.158 -2.292 1.00 0.00 S ATOM 0 H CYS A 53 6.757 -4.953 -2.364 1.00 0.00 H new ATOM 0 HA CYS A 53 6.221 -2.134 -1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.426 -3.184 -1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.708 -3.496 -2.805 1.00 0.00 H new ATOM 855 N ILE A 54 5.767 -1.343 -3.958 1.00 0.00 N ATOM 856 CA ILE A 54 5.336 -0.880 -5.260 1.00 0.00 C ATOM 857 C ILE A 54 5.861 0.532 -5.536 1.00 0.00 C ATOM 858 O ILE A 54 6.014 1.342 -4.622 1.00 0.00 O ATOM 859 CB ILE A 54 3.790 -0.900 -5.351 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.275 -2.340 -5.437 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.292 -0.083 -6.527 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.772 -2.439 -5.589 1.00 0.00 C ATOM 0 H ILE A 54 5.530 -0.712 -3.192 1.00 0.00 H new ATOM 0 HA ILE A 54 5.744 -1.553 -6.014 1.00 0.00 H new ATOM 0 HB ILE A 54 3.398 -0.444 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.751 -2.837 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.577 -2.879 -4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.203 -0.119 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.617 0.951 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.697 -0.493 -7.452 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.480 -3.488 -5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.288 -1.972 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.464 -1.929 -6.502 1.00 0.00 H new ATOM 874 N HIS A 55 6.171 0.804 -6.796 1.00 0.00 N ATOM 875 CA HIS A 55 6.571 2.138 -7.219 1.00 0.00 C ATOM 876 C HIS A 55 5.382 3.098 -7.125 1.00 0.00 C ATOM 877 O HIS A 55 4.296 2.779 -7.604 1.00 0.00 O ATOM 878 CB HIS A 55 7.101 2.094 -8.662 1.00 0.00 C ATOM 879 CG HIS A 55 7.429 3.444 -9.226 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.561 4.153 -10.027 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.521 4.229 -9.075 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.098 5.316 -10.337 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.290 5.389 -9.773 1.00 0.00 N ATOM 0 H HIS A 55 6.153 0.114 -7.547 1.00 0.00 H new ATOM 0 HA HIS A 55 7.364 2.495 -6.561 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.995 1.471 -8.692 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.357 1.615 -9.298 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.409 3.988 -8.510 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.641 6.080 -10.949 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.933 6.177 -9.844 1.00 0.00 H new ATOM 892 N PRO A 56 5.570 4.278 -6.502 1.00 0.00 N ATOM 893 CA PRO A 56 4.523 5.305 -6.404 1.00 0.00 C ATOM 894 C PRO A 56 3.924 5.641 -7.763 1.00 0.00 C ATOM 895 O PRO A 56 4.642 5.716 -8.757 1.00 0.00 O ATOM 896 CB PRO A 56 5.266 6.516 -5.842 1.00 0.00 C ATOM 897 CG PRO A 56 6.401 5.935 -5.082 1.00 0.00 C ATOM 898 CD PRO A 56 6.814 4.704 -5.838 1.00 0.00 C ATOM 0 HA PRO A 56 3.685 4.978 -5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.616 7.172 -6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.621 7.114 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.226 6.644 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.103 5.686 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.601 4.921 -6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.198 3.932 -5.171 1.00 0.00 H new ATOM 906 N GLN A 57 2.610 5.840 -7.792 1.00 0.00 N ATOM 907 CA GLN A 57 1.892 6.134 -9.033 1.00 0.00 C ATOM 908 C GLN A 57 1.865 4.908 -9.940 1.00 0.00 C ATOM 909 O GLN A 57 2.134 4.986 -11.137 1.00 0.00 O ATOM 910 CB GLN A 57 2.505 7.346 -9.737 1.00 0.00 C ATOM 911 CG GLN A 57 2.434 8.598 -8.887 1.00 0.00 C ATOM 912 CD GLN A 57 3.397 9.672 -9.328 1.00 0.00 C ATOM 913 OE1 GLN A 57 3.708 9.809 -10.513 1.00 0.00 O ATOM 914 NE2 GLN A 57 3.903 10.417 -8.364 1.00 0.00 N ATOM 0 H GLN A 57 2.015 5.803 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 57 0.860 6.385 -8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.546 7.134 -9.982 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.985 7.518 -10.679 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.419 8.994 -8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.642 8.337 -7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.614 10.266 -7.398 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.583 11.144 -8.585 1.00 0.00 H new ATOM 923 N ASN A 58 1.555 3.773 -9.335 1.00 0.00 N ATOM 924 CA ASN A 58 1.345 2.528 -10.060 1.00 0.00 C ATOM 925 C ASN A 58 -0.142 2.192 -10.051 1.00 0.00 C ATOM 926 O ASN A 58 -0.812 2.405 -9.037 1.00 0.00 O ATOM 927 CB ASN A 58 2.150 1.396 -9.409 1.00 0.00 C ATOM 928 CG ASN A 58 1.879 0.030 -10.020 1.00 0.00 C ATOM 929 OD1 ASN A 58 0.959 -0.675 -9.610 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.686 -0.359 -10.997 1.00 0.00 N ATOM 0 H ASN A 58 1.441 3.688 -8.325 1.00 0.00 H new ATOM 0 HA ASN A 58 1.685 2.642 -11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.213 1.620 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.918 1.362 -8.345 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.554 -1.271 -11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.439 0.253 -11.311 1.00 0.00 H new ATOM 937 N PRO A 59 -0.673 1.691 -11.180 1.00 0.00 N ATOM 938 CA PRO A 59 -2.087 1.320 -11.314 1.00 0.00 C ATOM 939 C PRO A 59 -2.640 0.569 -10.101 1.00 0.00 C ATOM 940 O PRO A 59 -3.701 0.910 -9.586 1.00 0.00 O ATOM 941 CB PRO A 59 -2.084 0.412 -12.540 1.00 0.00 C ATOM 942 CG PRO A 59 -0.976 0.935 -13.388 1.00 0.00 C ATOM 943 CD PRO A 59 0.067 1.467 -12.440 1.00 0.00 C ATOM 0 HA PRO A 59 -2.725 2.200 -11.399 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.915 -0.629 -12.263 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.038 0.451 -13.065 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.563 0.147 -14.018 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.333 1.721 -14.054 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.881 0.756 -12.303 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.510 2.391 -12.812 1.00 0.00 H new ATOM 951 N SER A 60 -1.903 -0.434 -9.633 1.00 0.00 N ATOM 952 CA SER A 60 -2.361 -1.276 -8.534 1.00 0.00 C ATOM 953 C SER A 60 -2.368 -0.522 -7.207 1.00 0.00 C ATOM 954 O SER A 60 -3.240 -0.740 -6.371 1.00 0.00 O ATOM 955 CB SER A 60 -1.487 -2.521 -8.427 1.00 0.00 C ATOM 956 OG SER A 60 -1.535 -3.268 -9.627 1.00 0.00 O ATOM 0 H SER A 60 -0.984 -0.683 -9.999 1.00 0.00 H new ATOM 0 HA SER A 60 -3.387 -1.572 -8.750 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.458 -2.232 -8.213 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.824 -3.138 -7.594 1.00 0.00 H new ATOM 0 HG SER A 60 -2.024 -4.103 -9.473 1.00 0.00 H new ATOM 962 N LEU A 61 -1.409 0.372 -7.023 1.00 0.00 N ATOM 963 CA LEU A 61 -1.306 1.119 -5.779 1.00 0.00 C ATOM 964 C LEU A 61 -2.454 2.128 -5.684 1.00 0.00 C ATOM 965 O LEU A 61 -3.144 2.201 -4.669 1.00 0.00 O ATOM 966 CB LEU A 61 0.058 1.822 -5.692 1.00 0.00 C ATOM 967 CG LEU A 61 0.678 1.908 -4.292 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.163 2.773 -3.379 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.851 0.524 -3.694 1.00 0.00 C ATOM 0 H LEU A 61 -0.694 0.597 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.383 0.430 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.756 1.300 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.050 2.834 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 61 1.661 2.368 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.299 2.817 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.232 3.779 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.162 2.347 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.292 0.609 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.121 0.036 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.506 -0.069 -4.332 1.00 0.00 H new ATOM 981 N SER A 62 -2.674 2.873 -6.764 1.00 0.00 N ATOM 982 CA SER A 62 -3.741 3.869 -6.805 1.00 0.00 C ATOM 983 C SER A 62 -5.111 3.197 -6.728 1.00 0.00 C ATOM 984 O SER A 62 -5.980 3.605 -5.941 1.00 0.00 O ATOM 985 CB SER A 62 -3.637 4.712 -8.083 1.00 0.00 C ATOM 986 OG SER A 62 -4.644 5.710 -8.128 1.00 0.00 O ATOM 0 H SER A 62 -2.128 2.806 -7.623 1.00 0.00 H new ATOM 0 HA SER A 62 -3.629 4.524 -5.941 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.655 5.182 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.725 4.065 -8.956 1.00 0.00 H new ATOM 0 HG SER A 62 -4.551 6.232 -8.952 1.00 0.00 H new ATOM 992 N GLN A 63 -5.297 2.154 -7.535 1.00 0.00 N ATOM 993 CA GLN A 63 -6.562 1.441 -7.565 1.00 0.00 C ATOM 994 C GLN A 63 -6.856 0.857 -6.192 1.00 0.00 C ATOM 995 O GLN A 63 -8.013 0.715 -5.808 1.00 0.00 O ATOM 996 CB GLN A 63 -6.553 0.336 -8.633 1.00 0.00 C ATOM 997 CG GLN A 63 -5.907 -0.971 -8.181 1.00 0.00 C ATOM 998 CD GLN A 63 -5.781 -2.007 -9.289 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.507 -1.562 -10.507 1.00 0.00 O flip ATOM 1000 NE2 GLN A 63 -5.898 -3.210 -9.044 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.589 1.789 -8.172 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.350 2.147 -7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.580 0.134 -8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.025 0.703 -9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.916 -0.757 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.495 -1.393 -7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.109 -3.519 -8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.783 -3.896 -9.790 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.806 0.543 -5.439 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.984 -0.018 -4.115 1.00 0.00 C ATOM 1011 C TRP A 64 -6.576 1.006 -3.161 1.00 0.00 C ATOM 1012 O TRP A 64 -7.421 0.662 -2.351 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.683 -0.591 -3.548 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.852 -1.103 -2.148 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -4.079 -0.806 -1.067 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.895 -1.962 -1.669 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.567 -1.438 0.050 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.682 -2.149 -0.295 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.988 -2.591 -2.272 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.517 -2.936 0.485 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.818 -3.371 -1.496 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.580 -3.534 -0.132 1.00 0.00 C ATOM 0 H TRP A 64 -4.835 0.668 -5.724 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.687 -0.845 -4.217 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.335 -1.400 -4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.913 0.180 -3.561 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.209 -0.167 -1.086 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.163 -1.385 0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.179 -2.468 -3.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.334 -3.071 1.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.665 -3.863 -1.951 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.251 -4.147 0.451 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.166 2.264 -3.264 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.770 3.311 -2.437 1.00 0.00 C ATOM 1035 C PHE A 65 -8.286 3.291 -2.594 1.00 0.00 C ATOM 1036 O PHE A 65 -9.029 3.440 -1.623 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.252 4.695 -2.824 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.889 5.032 -2.297 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -3.752 4.723 -3.021 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.747 5.700 -1.090 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.501 5.075 -2.555 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.496 6.045 -0.615 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.371 5.735 -1.351 1.00 0.00 C ATOM 0 H PHE A 65 -5.433 2.584 -3.897 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.497 3.111 -1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.233 4.768 -3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.959 5.444 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.844 4.200 -3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.625 5.954 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.622 4.833 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.399 6.557 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.392 6.008 -0.986 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.731 3.081 -3.825 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.156 3.050 -4.128 1.00 0.00 C ATOM 1055 C GLU A 66 -10.772 1.696 -3.745 1.00 0.00 C ATOM 1056 O GLU A 66 -11.865 1.630 -3.175 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.356 3.337 -5.612 1.00 0.00 C ATOM 1058 CG GLU A 66 -9.653 4.608 -6.072 1.00 0.00 C ATOM 1059 CD GLU A 66 -9.744 4.815 -7.567 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -10.804 5.275 -8.045 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -8.759 4.525 -8.274 1.00 0.00 O ATOM 0 H GLU A 66 -8.125 2.929 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.663 3.815 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.985 2.493 -6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.423 3.423 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.092 5.466 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.604 4.565 -5.778 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.058 0.615 -4.042 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.535 -0.733 -3.722 1.00 0.00 C ATOM 1070 C HIS A 67 -10.615 -0.936 -2.210 1.00 0.00 C ATOM 1071 O HIS A 67 -11.548 -1.551 -1.710 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.626 -1.807 -4.334 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.696 -1.911 -5.830 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.247 -3.012 -6.524 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.138 -1.039 -6.767 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.403 -2.810 -7.817 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -9.945 -1.621 -7.994 1.00 0.00 N ATOM 0 H HIS A 67 -9.148 0.642 -4.503 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.532 -0.833 -4.151 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.596 -1.599 -4.046 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.888 -2.774 -3.904 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -8.854 -3.854 -6.103 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.564 -0.064 -6.582 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.132 -3.502 -8.600 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.627 -0.412 -1.499 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.580 -0.475 -0.041 1.00 0.00 C ATOM 1088 C GLN A 68 -10.756 0.275 0.563 1.00 0.00 C ATOM 1089 O GLN A 68 -11.304 -0.125 1.592 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.253 0.117 0.449 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.224 0.491 1.918 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.921 1.152 2.315 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.970 0.490 2.727 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -6.862 2.469 2.182 1.00 0.00 N ATOM 0 H GLN A 68 -8.831 0.071 -1.916 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.647 -1.516 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.458 -0.603 0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.028 1.005 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.052 1.165 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.374 -0.404 2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.672 2.984 1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.006 2.968 2.425 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.149 1.354 -0.102 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.287 2.153 0.333 1.00 0.00 C ATOM 1105 C GLU A 69 -13.570 1.316 0.325 1.00 0.00 C ATOM 1106 O GLU A 69 -14.489 1.559 1.111 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.426 3.390 -0.565 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.566 4.326 -0.184 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.498 5.644 -0.929 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.229 5.633 -2.150 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.676 6.706 -0.294 1.00 0.00 O ATOM 0 H GLU A 69 -10.694 1.697 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.118 2.486 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.490 3.949 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.572 3.061 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.519 3.840 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.535 4.515 0.889 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.616 0.312 -0.547 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.779 -0.568 -0.633 1.00 0.00 C ATOM 1120 C ARG A 70 -14.439 -2.002 -0.206 1.00 0.00 C ATOM 1121 O ARG A 70 -15.122 -2.951 -0.602 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.342 -0.559 -2.060 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.404 -1.149 -3.103 1.00 0.00 C ATOM 1124 CD ARG A 70 -15.014 -1.100 -4.494 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.186 -1.787 -5.482 1.00 0.00 N ATOM 1126 CZ ARG A 70 -13.888 -1.289 -6.677 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -14.342 -0.091 -7.030 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -13.158 -1.999 -7.529 1.00 0.00 N ATOM 0 H ARG A 70 -12.866 0.088 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.534 -0.189 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.279 -1.116 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.578 0.468 -2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.462 -0.600 -3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.172 -2.182 -2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.004 -1.556 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.148 -0.061 -4.794 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.814 -2.705 -5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.919 0.446 -6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.113 0.291 -7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.826 -2.927 -7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.929 -1.617 -8.447 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.402 -2.162 0.612 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.981 -3.495 1.034 1.00 0.00 C ATOM 1144 C LYS A 71 -12.481 -3.490 2.483 1.00 0.00 C ATOM 1145 O LYS A 71 -12.940 -2.685 3.301 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.883 -4.002 0.106 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.889 -5.509 -0.069 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.732 -5.978 -0.922 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.829 -5.473 -2.346 1.00 0.00 C ATOM 1150 NZ LYS A 71 -9.902 -6.206 -3.236 1.00 0.00 N ATOM 0 H LYS A 71 -12.844 -1.397 0.992 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.844 -4.159 0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.996 -3.530 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.914 -3.693 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.838 -5.989 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.828 -5.818 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.796 -5.637 -0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.704 -7.068 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.851 -5.588 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.599 -4.408 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.506 -5.551 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.130 -6.616 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.417 -6.967 -3.723 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.539 -4.400 2.788 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.986 -4.558 4.121 1.00 0.00 C ATOM 1166 C LEU A 72 -12.076 -4.773 5.162 1.00 0.00 C ATOM 1167 O LEU A 72 -12.824 -5.752 5.099 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.107 -3.358 4.478 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.964 -3.086 3.501 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -7.875 -2.273 4.175 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.411 -4.388 2.940 1.00 0.00 C ATOM 0 H LEU A 72 -11.145 -5.045 2.103 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.364 -5.453 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.736 -2.470 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.687 -3.516 5.471 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.353 -2.504 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.068 -2.088 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.287 -1.322 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.486 -2.824 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.599 -4.170 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.036 -5.006 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.202 -4.923 2.414 1.00 0.00 H new