USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 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 HE2:sc= -2.18! C(o=-2.2!,f=-6.7!) USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 12 GLN : amide:sc= -0.973 X(o=-0.97,f=-0.5) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.0209 (180deg=-0.233) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 167:sc=-0.000681 (180deg=-0.122) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= -3.16! (180deg=-3.24!) USER MOD Single : A 28 GLN : amide:sc= 1.13 K(o=1.1,f=-0.23) USER MOD Single : A 32 GLN : amide:sc= 1.24 K(o=1.2,f=-7.5!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.089) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -3.81 K(o=-3.8,f=-1.3) USER MOD Single : A 55 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-1.1) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 58 ASN : amide:sc= 0.342 K(o=0.34,f=-3.6!) USER MOD Single : A 60 SER OG : rot -31:sc= 0.892 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.00372 X(o=0.0037,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.978 K(o=0.98,f=-5.5!) USER MOD Single : A 68 GLN : amide:sc= -1.43 K(o=-1.4,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 0.965 (180deg=-0.0188) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 12.400 0.662 3.340 1.00 0.00 N ATOM 125 CA CYS A 9 13.473 1.084 2.456 1.00 0.00 C ATOM 126 C CYS A 9 13.702 0.024 1.384 1.00 0.00 C ATOM 127 O CYS A 9 14.731 -0.655 1.356 1.00 0.00 O ATOM 128 CB CYS A 9 14.761 1.360 3.236 1.00 0.00 C ATOM 129 SG CYS A 9 16.076 2.144 2.241 1.00 0.00 S ATOM 0 HA CYS A 9 13.180 2.017 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.529 2.003 4.085 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.137 0.421 3.641 1.00 0.00 H new ATOM 134 N CYS A 10 12.707 -0.135 0.526 1.00 0.00 N ATOM 135 CA CYS A 10 12.768 -1.105 -0.552 1.00 0.00 C ATOM 136 C CYS A 10 13.660 -0.606 -1.679 1.00 0.00 C ATOM 137 O CYS A 10 13.401 0.443 -2.270 1.00 0.00 O ATOM 138 CB CYS A 10 11.362 -1.382 -1.090 1.00 0.00 C ATOM 139 SG CYS A 10 10.207 -2.049 0.152 1.00 0.00 S ATOM 0 H CYS A 10 11.840 0.402 0.558 1.00 0.00 H new ATOM 0 HA CYS A 10 13.192 -2.028 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.950 -0.457 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.434 -2.087 -1.919 1.00 0.00 H new ATOM 144 N THR A 11 14.724 -1.349 -1.956 1.00 0.00 N ATOM 145 CA THR A 11 15.576 -1.063 -3.096 1.00 0.00 C ATOM 146 C THR A 11 15.165 -1.907 -4.297 1.00 0.00 C ATOM 147 O THR A 11 15.781 -1.851 -5.363 1.00 0.00 O ATOM 148 CB THR A 11 17.057 -1.302 -2.759 1.00 0.00 C ATOM 149 OG1 THR A 11 17.170 -2.283 -1.716 1.00 0.00 O ATOM 150 CG2 THR A 11 17.728 -0.008 -2.328 1.00 0.00 C ATOM 0 H THR A 11 15.015 -2.155 -1.403 1.00 0.00 H new ATOM 0 HA THR A 11 15.452 -0.010 -3.348 1.00 0.00 H new ATOM 0 HB THR A 11 17.559 -1.669 -3.654 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.116 -2.432 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.775 -0.201 -2.095 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.665 0.721 -3.136 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.226 0.385 -1.444 1.00 0.00 H new ATOM 158 N GLN A 12 14.113 -2.691 -4.110 1.00 0.00 N ATOM 159 CA GLN A 12 13.521 -3.458 -5.189 1.00 0.00 C ATOM 160 C GLN A 12 12.023 -3.191 -5.248 1.00 0.00 C ATOM 161 O GLN A 12 11.441 -2.688 -4.287 1.00 0.00 O ATOM 162 CB GLN A 12 13.824 -4.966 -5.065 1.00 0.00 C ATOM 163 CG GLN A 12 13.759 -5.560 -3.654 1.00 0.00 C ATOM 164 CD GLN A 12 12.425 -5.366 -2.961 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.483 -6.127 -3.170 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.357 -4.379 -2.084 1.00 0.00 N ATOM 0 H GLN A 12 13.650 -2.811 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 12 13.973 -3.132 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.121 -5.509 -5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.821 -5.148 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.975 -6.627 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.542 -5.108 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.161 -3.769 -1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.500 -4.228 -1.552 1.00 0.00 H new ATOM 175 N LEU A 13 11.410 -3.508 -6.377 1.00 0.00 N ATOM 176 CA LEU A 13 9.997 -3.234 -6.581 1.00 0.00 C ATOM 177 C LEU A 13 9.323 -4.415 -7.262 1.00 0.00 C ATOM 178 O LEU A 13 9.897 -5.030 -8.161 1.00 0.00 O ATOM 179 CB LEU A 13 9.816 -1.972 -7.434 1.00 0.00 C ATOM 180 CG LEU A 13 10.334 -0.669 -6.814 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.239 0.469 -7.817 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.551 -0.330 -5.554 1.00 0.00 C ATOM 0 H LEU A 13 11.871 -3.957 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 13 9.534 -3.074 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.322 -2.125 -8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.755 -1.852 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 13 11.381 -0.808 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.610 1.387 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.839 0.231 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.199 0.606 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.932 0.598 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.497 -0.209 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.663 -1.136 -4.828 1.00 0.00 H new ATOM 194 N TYR A 14 8.112 -4.729 -6.824 1.00 0.00 N ATOM 195 CA TYR A 14 7.338 -5.809 -7.419 1.00 0.00 C ATOM 196 C TYR A 14 6.956 -5.444 -8.852 1.00 0.00 C ATOM 197 O TYR A 14 7.049 -6.275 -9.758 1.00 0.00 O ATOM 198 CB TYR A 14 6.093 -6.086 -6.569 1.00 0.00 C ATOM 199 CG TYR A 14 5.327 -7.323 -6.980 1.00 0.00 C ATOM 200 CD1 TYR A 14 5.827 -8.592 -6.719 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.104 -7.224 -7.627 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.129 -9.726 -7.092 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.400 -8.352 -8.004 1.00 0.00 C ATOM 204 CZ TYR A 14 3.916 -9.600 -7.735 1.00 0.00 C ATOM 205 OH TYR A 14 3.214 -10.724 -8.113 1.00 0.00 O ATOM 0 H TYR A 14 7.643 -4.249 -6.056 1.00 0.00 H new ATOM 0 HA TYR A 14 7.940 -6.717 -7.447 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.394 -6.188 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.428 -5.224 -6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.777 -8.695 -6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.694 -6.248 -7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.532 -10.705 -6.881 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.449 -8.255 -8.507 1.00 0.00 H new ATOM 0 HH TYR A 14 2.380 -10.456 -8.553 1.00 0.00 H new ATOM 215 N ARG A 15 6.516 -4.192 -9.033 1.00 0.00 N ATOM 216 CA ARG A 15 6.250 -3.607 -10.360 1.00 0.00 C ATOM 217 C ARG A 15 4.978 -4.156 -11.009 1.00 0.00 C ATOM 218 O ARG A 15 4.248 -3.413 -11.669 1.00 0.00 O ATOM 219 CB ARG A 15 7.456 -3.792 -11.287 1.00 0.00 C ATOM 220 CG ARG A 15 8.661 -2.971 -10.861 1.00 0.00 C ATOM 221 CD ARG A 15 9.896 -3.302 -11.680 1.00 0.00 C ATOM 222 NE ARG A 15 11.034 -2.470 -11.289 1.00 0.00 N ATOM 223 CZ ARG A 15 12.169 -2.942 -10.776 1.00 0.00 C ATOM 224 NH1 ARG A 15 12.335 -4.250 -10.599 1.00 0.00 N ATOM 225 NH2 ARG A 15 13.138 -2.102 -10.433 1.00 0.00 N ATOM 0 H ARG A 15 6.333 -3.551 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 15 6.085 -2.541 -10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.731 -4.846 -11.311 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.174 -3.513 -12.302 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.431 -1.910 -10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.867 -3.151 -9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.150 -4.354 -11.549 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.683 -3.155 -12.739 1.00 0.00 H new ATOM 0 HE ARG A 15 10.953 -1.461 -11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.591 -4.898 -10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.207 -4.605 -10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.012 -1.098 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.008 -2.460 -10.040 1.00 0.00 H new ATOM 239 N LYS A 16 4.723 -5.442 -10.835 1.00 0.00 N ATOM 240 CA LYS A 16 3.501 -6.054 -11.337 1.00 0.00 C ATOM 241 C LYS A 16 2.310 -5.642 -10.480 1.00 0.00 C ATOM 242 O LYS A 16 2.472 -5.299 -9.310 1.00 0.00 O ATOM 243 CB LYS A 16 3.628 -7.576 -11.347 1.00 0.00 C ATOM 244 CG LYS A 16 4.559 -8.108 -12.420 1.00 0.00 C ATOM 245 CD LYS A 16 4.623 -9.622 -12.382 1.00 0.00 C ATOM 246 CE LYS A 16 5.400 -10.185 -13.561 1.00 0.00 C ATOM 247 NZ LYS A 16 4.703 -9.936 -14.851 1.00 0.00 N ATOM 0 H LYS A 16 5.347 -6.085 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 16 3.341 -5.707 -12.358 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.986 -7.907 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.639 -8.012 -11.489 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.215 -7.780 -13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.557 -7.695 -12.278 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.092 -9.943 -11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.612 -10.029 -12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.392 -9.735 -13.591 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.541 -11.257 -13.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.116 -10.539 -15.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.692 -10.157 -14.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.813 -8.937 -15.118 1.00 0.00 H new ATOM 261 N PRO A 17 1.100 -5.650 -11.054 1.00 0.00 N ATOM 262 CA PRO A 17 -0.122 -5.355 -10.313 1.00 0.00 C ATOM 263 C PRO A 17 -0.480 -6.474 -9.341 1.00 0.00 C ATOM 264 O PRO A 17 -0.268 -7.656 -9.628 1.00 0.00 O ATOM 265 CB PRO A 17 -1.198 -5.224 -11.403 1.00 0.00 C ATOM 266 CG PRO A 17 -0.455 -5.181 -12.697 1.00 0.00 C ATOM 267 CD PRO A 17 0.823 -5.926 -12.465 1.00 0.00 C ATOM 0 HA PRO A 17 -0.019 -4.458 -9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.889 -6.067 -11.375 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.791 -4.321 -11.261 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.036 -5.642 -13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.258 -4.153 -12.999 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.711 -6.993 -12.655 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.624 -5.569 -13.113 1.00 0.00 H new ATOM 275 N LEU A 18 -1.012 -6.101 -8.189 1.00 0.00 N ATOM 276 CA LEU A 18 -1.408 -7.075 -7.189 1.00 0.00 C ATOM 277 C LEU A 18 -2.850 -7.511 -7.411 1.00 0.00 C ATOM 278 O LEU A 18 -3.720 -6.688 -7.705 1.00 0.00 O ATOM 279 CB LEU A 18 -1.235 -6.500 -5.782 1.00 0.00 C ATOM 280 CG LEU A 18 0.213 -6.204 -5.374 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.277 -5.704 -3.937 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.075 -7.446 -5.543 1.00 0.00 C ATOM 0 H LEU A 18 -1.179 -5.130 -7.924 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.764 -7.949 -7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.812 -5.578 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.662 -7.201 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 18 0.599 -5.420 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.314 -5.500 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.309 -4.789 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.128 -6.464 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.100 -7.220 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.686 -8.247 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.058 -7.762 -6.586 1.00 0.00 H new ATOM 294 N SER A 19 -3.089 -8.809 -7.291 1.00 0.00 N ATOM 295 CA SER A 19 -4.422 -9.367 -7.454 1.00 0.00 C ATOM 296 C SER A 19 -5.347 -8.894 -6.333 1.00 0.00 C ATOM 297 O SER A 19 -4.929 -8.783 -5.182 1.00 0.00 O ATOM 298 CB SER A 19 -4.340 -10.894 -7.466 1.00 0.00 C ATOM 299 OG SER A 19 -3.422 -11.343 -8.450 1.00 0.00 O ATOM 0 H SER A 19 -2.369 -9.500 -7.079 1.00 0.00 H new ATOM 0 HA SER A 19 -4.835 -9.022 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.032 -11.254 -6.484 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.326 -11.314 -7.664 1.00 0.00 H new ATOM 0 HG SER A 19 -3.384 -12.322 -8.439 1.00 0.00 H new ATOM 305 N ASP A 20 -6.602 -8.635 -6.676 1.00 0.00 N ATOM 306 CA ASP A 20 -7.574 -8.105 -5.720 1.00 0.00 C ATOM 307 C ASP A 20 -7.770 -9.062 -4.551 1.00 0.00 C ATOM 308 O ASP A 20 -8.059 -8.646 -3.428 1.00 0.00 O ATOM 309 CB ASP A 20 -8.912 -7.853 -6.408 1.00 0.00 C ATOM 310 CG ASP A 20 -9.881 -7.095 -5.526 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.781 -5.852 -5.466 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.748 -7.737 -4.891 1.00 0.00 O ATOM 0 H ASP A 20 -6.975 -8.783 -7.614 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.184 -7.163 -5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.745 -7.290 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.355 -8.807 -6.694 1.00 0.00 H new ATOM 317 N LYS A 21 -7.589 -10.348 -4.825 1.00 0.00 N ATOM 318 CA LYS A 21 -7.702 -11.380 -3.805 1.00 0.00 C ATOM 319 C LYS A 21 -6.744 -11.101 -2.653 1.00 0.00 C ATOM 320 O LYS A 21 -7.113 -11.197 -1.484 1.00 0.00 O ATOM 321 CB LYS A 21 -7.389 -12.749 -4.410 1.00 0.00 C ATOM 322 CG LYS A 21 -8.148 -13.043 -5.694 1.00 0.00 C ATOM 323 CD LYS A 21 -7.701 -14.360 -6.311 1.00 0.00 C ATOM 324 CE LYS A 21 -8.170 -15.553 -5.494 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.642 -15.743 -5.581 1.00 0.00 N ATOM 0 H LYS A 21 -7.361 -10.702 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.723 -11.376 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.319 -12.811 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.622 -13.521 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.217 -13.081 -5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.990 -12.233 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.092 -14.438 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.614 -14.376 -6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.667 -16.454 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.883 -15.414 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.895 -16.677 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.121 -15.003 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.942 -15.681 -6.575 1.00 0.00 H new ATOM 339 N LEU A 22 -5.500 -10.782 -2.983 1.00 0.00 N ATOM 340 CA LEU A 22 -4.528 -10.434 -1.963 1.00 0.00 C ATOM 341 C LEU A 22 -4.775 -9.020 -1.437 1.00 0.00 C ATOM 342 O LEU A 22 -4.491 -8.732 -0.276 1.00 0.00 O ATOM 343 CB LEU A 22 -3.089 -10.617 -2.475 1.00 0.00 C ATOM 344 CG LEU A 22 -2.616 -9.670 -3.582 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.101 -8.365 -2.995 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.539 -10.337 -4.421 1.00 0.00 C ATOM 0 H LEU A 22 -5.145 -10.758 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.654 -11.120 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.412 -10.511 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.987 -11.640 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.467 -9.441 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.771 -7.709 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.899 -7.878 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.263 -8.571 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.212 -9.653 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.691 -10.594 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.941 -11.243 -4.875 1.00 0.00 H new ATOM 358 N LEU A 23 -5.325 -8.155 -2.290 1.00 0.00 N ATOM 359 CA LEU A 23 -5.562 -6.759 -1.927 1.00 0.00 C ATOM 360 C LEU A 23 -6.502 -6.641 -0.735 1.00 0.00 C ATOM 361 O LEU A 23 -6.226 -5.897 0.195 1.00 0.00 O ATOM 362 CB LEU A 23 -6.125 -5.960 -3.108 1.00 0.00 C ATOM 363 CG LEU A 23 -5.141 -5.715 -4.255 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.802 -4.925 -5.376 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.908 -4.983 -3.750 1.00 0.00 C ATOM 0 H LEU A 23 -5.615 -8.398 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.595 -6.340 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.994 -6.487 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.477 -4.996 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.835 -6.683 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.084 -4.763 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.656 -5.483 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.140 -3.962 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.219 -4.817 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.203 -4.023 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.417 -5.583 -2.984 1.00 0.00 H new ATOM 377 N ARG A 24 -7.595 -7.397 -0.747 1.00 0.00 N ATOM 378 CA ARG A 24 -8.590 -7.335 0.332 1.00 0.00 C ATOM 379 C ARG A 24 -8.010 -7.721 1.706 1.00 0.00 C ATOM 380 O ARG A 24 -8.729 -7.730 2.706 1.00 0.00 O ATOM 381 CB ARG A 24 -9.775 -8.243 0.009 1.00 0.00 C ATOM 382 CG ARG A 24 -9.384 -9.694 -0.204 1.00 0.00 C ATOM 383 CD ARG A 24 -10.594 -10.579 -0.434 1.00 0.00 C ATOM 384 NE ARG A 24 -11.412 -10.715 0.770 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.471 -11.516 0.860 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.846 -12.252 -0.181 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.155 -11.590 1.995 1.00 0.00 N ATOM 0 H ARG A 24 -7.819 -8.061 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.915 -6.297 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.499 -8.185 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.272 -7.873 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.713 -9.767 -1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.832 -10.052 0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.200 -10.162 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.265 -11.565 -0.761 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.156 -10.164 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.321 -12.205 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.658 -12.864 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.869 -11.032 2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.966 -12.204 2.062 1.00 0.00 H new ATOM 401 N LYS A 25 -6.724 -8.051 1.746 1.00 0.00 N ATOM 402 CA LYS A 25 -6.045 -8.378 2.994 1.00 0.00 C ATOM 403 C LYS A 25 -4.991 -7.336 3.335 1.00 0.00 C ATOM 404 O LYS A 25 -4.342 -7.419 4.379 1.00 0.00 O ATOM 405 CB LYS A 25 -5.374 -9.731 2.911 1.00 0.00 C ATOM 406 CG LYS A 25 -6.341 -10.868 2.627 1.00 0.00 C ATOM 407 CD LYS A 25 -5.645 -12.210 2.715 1.00 0.00 C ATOM 408 CE LYS A 25 -4.589 -12.347 1.641 1.00 0.00 C ATOM 409 NZ LYS A 25 -5.189 -12.561 0.297 1.00 0.00 N ATOM 0 H LYS A 25 -6.127 -8.099 0.921 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.807 -8.395 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.616 -9.705 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.857 -9.930 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.165 -10.835 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.773 -10.743 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.186 -12.321 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.378 -13.011 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.970 -11.450 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.932 -13.183 1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.432 -12.667 -0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.773 -13.422 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.782 -11.744 0.048 1.00 0.00 H new ATOM 423 N VAL A 26 -4.802 -6.370 2.451 1.00 0.00 N ATOM 424 CA VAL A 26 -3.815 -5.334 2.678 1.00 0.00 C ATOM 425 C VAL A 26 -4.355 -4.336 3.687 1.00 0.00 C ATOM 426 O VAL A 26 -5.079 -3.401 3.342 1.00 0.00 O ATOM 427 CB VAL A 26 -3.414 -4.605 1.383 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.255 -3.667 1.656 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.048 -5.599 0.294 1.00 0.00 C ATOM 0 H VAL A 26 -5.317 -6.284 1.575 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.916 -5.815 3.064 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.267 -4.022 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.977 -3.155 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.550 -2.932 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.403 -4.239 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.768 -5.060 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.209 -6.210 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.904 -6.241 0.084 1.00 0.00 H new ATOM 439 N ILE A 27 -4.005 -4.556 4.936 1.00 0.00 N ATOM 440 CA ILE A 27 -4.605 -3.832 6.037 1.00 0.00 C ATOM 441 C ILE A 27 -4.058 -2.415 6.164 1.00 0.00 C ATOM 442 O ILE A 27 -4.737 -1.531 6.682 1.00 0.00 O ATOM 443 CB ILE A 27 -4.394 -4.594 7.360 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.898 -4.718 7.670 1.00 0.00 C ATOM 445 CG2 ILE A 27 -5.037 -5.975 7.268 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.598 -5.364 9.004 1.00 0.00 C ATOM 0 H ILE A 27 -3.300 -5.238 5.217 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.671 -3.756 5.825 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.866 -4.038 8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.421 -5.299 6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.450 -3.725 7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.885 -6.510 8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.105 -5.867 7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.580 -6.535 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.519 -5.415 9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.044 -4.772 9.803 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.015 -6.371 9.022 1.00 0.00 H new ATOM 458 N GLN A 28 -2.841 -2.189 5.682 1.00 0.00 N ATOM 459 CA GLN A 28 -2.198 -0.886 5.825 1.00 0.00 C ATOM 460 C GLN A 28 -1.490 -0.467 4.542 1.00 0.00 C ATOM 461 O GLN A 28 -0.961 -1.305 3.809 1.00 0.00 O ATOM 462 CB GLN A 28 -1.187 -0.909 6.978 1.00 0.00 C ATOM 463 CG GLN A 28 -1.811 -1.037 8.361 1.00 0.00 C ATOM 464 CD GLN A 28 -2.591 0.196 8.780 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.040 1.122 9.372 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.881 0.216 8.488 1.00 0.00 N ATOM 0 H GLN A 28 -2.281 -2.886 5.191 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.982 -0.160 6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.499 -1.741 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.595 0.005 6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.475 -1.901 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.025 -1.227 9.091 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.305 -0.570 7.996 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.452 1.018 8.755 1.00 0.00 H new ATOM 475 N VAL A 29 -1.490 0.834 4.280 1.00 0.00 N ATOM 476 CA VAL A 29 -0.760 1.403 3.156 1.00 0.00 C ATOM 477 C VAL A 29 0.361 2.281 3.689 1.00 0.00 C ATOM 478 O VAL A 29 0.109 3.244 4.413 1.00 0.00 O ATOM 479 CB VAL A 29 -1.677 2.243 2.240 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.902 2.805 1.056 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.856 1.416 1.760 1.00 0.00 C ATOM 0 H VAL A 29 -1.995 1.522 4.839 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.358 0.583 2.561 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.057 3.082 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.572 3.392 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.095 3.441 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.484 1.985 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.490 2.026 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.492 0.554 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.434 1.073 2.619 1.00 0.00 H new ATOM 491 N GLU A 30 1.588 1.947 3.342 1.00 0.00 N ATOM 492 CA GLU A 30 2.743 2.599 3.936 1.00 0.00 C ATOM 493 C GLU A 30 3.476 3.446 2.912 1.00 0.00 C ATOM 494 O GLU A 30 3.739 3.003 1.793 1.00 0.00 O ATOM 495 CB GLU A 30 3.688 1.547 4.511 1.00 0.00 C ATOM 496 CG GLU A 30 2.954 0.331 5.042 1.00 0.00 C ATOM 497 CD GLU A 30 3.865 -0.630 5.773 1.00 0.00 C ATOM 498 OE1 GLU A 30 4.455 -1.512 5.121 1.00 0.00 O ATOM 499 OE2 GLU A 30 3.975 -0.522 7.012 1.00 0.00 O ATOM 0 H GLU A 30 1.813 1.229 2.653 1.00 0.00 H new ATOM 0 HA GLU A 30 2.396 3.254 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.390 1.234 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.275 1.992 5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.161 0.656 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.475 -0.189 4.213 1.00 0.00 H new ATOM 506 N LEU A 31 3.803 4.667 3.291 1.00 0.00 N ATOM 507 CA LEU A 31 4.566 5.539 2.424 1.00 0.00 C ATOM 508 C LEU A 31 6.036 5.494 2.804 1.00 0.00 C ATOM 509 O LEU A 31 6.444 6.032 3.834 1.00 0.00 O ATOM 510 CB LEU A 31 4.040 6.976 2.483 1.00 0.00 C ATOM 511 CG LEU A 31 4.829 7.997 1.655 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.935 7.558 0.201 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.176 9.364 1.741 1.00 0.00 C ATOM 0 H LEU A 31 3.552 5.075 4.192 1.00 0.00 H new ATOM 0 HA LEU A 31 4.454 5.186 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.004 6.980 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.036 7.302 3.523 1.00 0.00 H new ATOM 0 HG LEU A 31 5.836 8.058 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.499 8.301 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.446 6.597 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.936 7.462 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.747 10.078 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.158 9.306 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.153 9.691 2.780 1.00 0.00 H new ATOM 525 N GLN A 32 6.816 4.817 1.980 1.00 0.00 N ATOM 526 CA GLN A 32 8.253 4.777 2.146 1.00 0.00 C ATOM 527 C GLN A 32 8.838 6.135 1.792 1.00 0.00 C ATOM 528 O GLN A 32 8.909 6.504 0.622 1.00 0.00 O ATOM 529 CB GLN A 32 8.849 3.681 1.264 1.00 0.00 C ATOM 530 CG GLN A 32 10.357 3.760 1.128 1.00 0.00 C ATOM 531 CD GLN A 32 10.933 2.586 0.375 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.433 1.465 0.458 1.00 0.00 O ATOM 533 NE2 GLN A 32 11.976 2.839 -0.385 1.00 0.00 N ATOM 0 H GLN A 32 6.471 4.283 1.182 1.00 0.00 H new ATOM 0 HA GLN A 32 8.498 4.549 3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.581 2.709 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.400 3.741 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.624 4.683 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.806 3.806 2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.360 3.783 -0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.401 2.091 -0.934 1.00 0.00 H new ATOM 542 N GLU A 33 9.217 6.891 2.807 1.00 0.00 N ATOM 543 CA GLU A 33 9.772 8.211 2.587 1.00 0.00 C ATOM 544 C GLU A 33 11.220 8.111 2.133 1.00 0.00 C ATOM 545 O GLU A 33 11.981 7.272 2.625 1.00 0.00 O ATOM 546 CB GLU A 33 9.671 9.062 3.855 1.00 0.00 C ATOM 547 CG GLU A 33 8.245 9.259 4.341 1.00 0.00 C ATOM 548 CD GLU A 33 8.148 10.273 5.459 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.378 9.903 6.627 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.840 11.449 5.172 1.00 0.00 O ATOM 0 H GLU A 33 9.150 6.614 3.786 1.00 0.00 H new ATOM 0 HA GLU A 33 9.192 8.696 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.254 8.591 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.120 10.037 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.622 9.582 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.847 8.304 4.685 1.00 0.00 H new ATOM 557 N ALA A 34 11.593 8.983 1.209 1.00 0.00 N ATOM 558 CA ALA A 34 12.940 9.006 0.660 1.00 0.00 C ATOM 559 C ALA A 34 13.878 9.767 1.581 1.00 0.00 C ATOM 560 O ALA A 34 15.050 9.974 1.260 1.00 0.00 O ATOM 561 CB ALA A 34 12.939 9.642 -0.721 1.00 0.00 C ATOM 0 H ALA A 34 10.973 9.693 0.819 1.00 0.00 H new ATOM 0 HA ALA A 34 13.292 7.978 0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.954 9.652 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.295 9.067 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.567 10.664 -0.651 1.00 0.00 H new ATOM 567 N ASP A 35 13.356 10.181 2.724 1.00 0.00 N ATOM 568 CA ASP A 35 14.147 10.916 3.694 1.00 0.00 C ATOM 569 C ASP A 35 13.826 10.464 5.117 1.00 0.00 C ATOM 570 O ASP A 35 14.725 10.281 5.932 1.00 0.00 O ATOM 571 CB ASP A 35 13.906 12.427 3.553 1.00 0.00 C ATOM 572 CG ASP A 35 12.497 12.843 3.945 1.00 0.00 C ATOM 573 OD1 ASP A 35 11.534 12.418 3.272 1.00 0.00 O ATOM 574 OD2 ASP A 35 12.348 13.578 4.942 1.00 0.00 O ATOM 0 H ASP A 35 12.388 10.020 3.002 1.00 0.00 H new ATOM 0 HA ASP A 35 15.198 10.707 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.623 12.963 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.093 12.724 2.521 1.00 0.00 H new ATOM 579 N GLY A 36 12.539 10.270 5.400 1.00 0.00 N ATOM 580 CA GLY A 36 12.114 9.895 6.738 1.00 0.00 C ATOM 581 C GLY A 36 12.558 8.501 7.137 1.00 0.00 C ATOM 582 O GLY A 36 12.636 8.186 8.323 1.00 0.00 O ATOM 0 H GLY A 36 11.782 10.366 4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.512 10.615 7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.027 9.954 6.797 1.00 0.00 H new ATOM 586 N ASP A 37 12.856 7.667 6.153 1.00 0.00 N ATOM 587 CA ASP A 37 13.253 6.288 6.419 1.00 0.00 C ATOM 588 C ASP A 37 14.348 5.862 5.453 1.00 0.00 C ATOM 589 O ASP A 37 15.493 5.632 5.843 1.00 0.00 O ATOM 590 CB ASP A 37 12.046 5.352 6.274 1.00 0.00 C ATOM 591 CG ASP A 37 12.281 3.964 6.853 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.383 3.406 6.674 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.351 3.432 7.500 1.00 0.00 O ATOM 0 H ASP A 37 12.831 7.917 5.165 1.00 0.00 H new ATOM 0 HA ASP A 37 13.632 6.227 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.185 5.802 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.794 5.258 5.218 1.00 0.00 H new ATOM 598 N CYS A 38 13.992 5.799 4.184 1.00 0.00 N ATOM 599 CA CYS A 38 14.884 5.296 3.158 1.00 0.00 C ATOM 600 C CYS A 38 15.546 6.451 2.413 1.00 0.00 C ATOM 601 O CYS A 38 15.440 7.604 2.822 1.00 0.00 O ATOM 602 CB CYS A 38 14.080 4.444 2.179 1.00 0.00 C ATOM 603 SG CYS A 38 15.084 3.440 1.029 1.00 0.00 S ATOM 0 H CYS A 38 13.079 6.094 3.837 1.00 0.00 H new ATOM 0 HA CYS A 38 15.665 4.694 3.623 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.431 3.778 2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.433 5.099 1.596 1.00 0.00 H new ATOM 608 N HIS A 39 16.243 6.129 1.330 1.00 0.00 N ATOM 609 CA HIS A 39 16.800 7.138 0.435 1.00 0.00 C ATOM 610 C HIS A 39 15.980 7.188 -0.854 1.00 0.00 C ATOM 611 O HIS A 39 16.212 8.021 -1.726 1.00 0.00 O ATOM 612 CB HIS A 39 18.274 6.831 0.124 1.00 0.00 C ATOM 613 CG HIS A 39 18.501 5.527 -0.591 1.00 0.00 C ATOM 614 ND1 HIS A 39 18.707 4.335 0.067 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.552 5.235 -1.914 1.00 0.00 C ATOM 616 CE1 HIS A 39 18.876 3.368 -0.816 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.785 3.888 -2.026 1.00 0.00 N ATOM 0 H HIS A 39 16.438 5.168 1.048 1.00 0.00 H new ATOM 0 HA HIS A 39 16.754 8.111 0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.680 7.640 -0.483 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.835 6.821 1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.431 5.934 -2.729 1.00 0.00 H new ATOM 0 HE1 HIS A 39 19.058 2.328 -0.587 1.00 0.00 H new ATOM 0 HE2 HIS A 39 18.874 3.372 -2.901 1.00 0.00 H new ATOM 626 N LEU A 40 15.024 6.277 -0.950 1.00 0.00 N ATOM 627 CA LEU A 40 14.149 6.170 -2.109 1.00 0.00 C ATOM 628 C LEU A 40 12.703 6.157 -1.631 1.00 0.00 C ATOM 629 O LEU A 40 12.400 5.535 -0.614 1.00 0.00 O ATOM 630 CB LEU A 40 14.493 4.886 -2.892 1.00 0.00 C ATOM 631 CG LEU A 40 13.698 4.629 -4.181 1.00 0.00 C ATOM 632 CD1 LEU A 40 14.528 3.810 -5.157 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.398 3.895 -3.882 1.00 0.00 C ATOM 0 H LEU A 40 14.832 5.588 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 40 14.288 7.020 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.552 4.916 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.349 4.034 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 40 13.461 5.595 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.953 3.635 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.440 4.353 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.787 2.854 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.854 3.725 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.621 2.937 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.787 4.496 -3.209 1.00 0.00 H new ATOM 645 N GLN A 41 11.823 6.859 -2.336 1.00 0.00 N ATOM 646 CA GLN A 41 10.424 6.948 -1.933 1.00 0.00 C ATOM 647 C GLN A 41 9.576 5.898 -2.645 1.00 0.00 C ATOM 648 O GLN A 41 9.643 5.746 -3.865 1.00 0.00 O ATOM 649 CB GLN A 41 9.873 8.351 -2.202 1.00 0.00 C ATOM 650 CG GLN A 41 8.408 8.505 -1.829 1.00 0.00 C ATOM 651 CD GLN A 41 7.944 9.945 -1.842 1.00 0.00 C ATOM 652 OE1 GLN A 41 8.008 10.637 -0.826 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.473 10.412 -2.985 1.00 0.00 N ATOM 0 H GLN A 41 12.052 7.373 -3.187 1.00 0.00 H new ATOM 0 HA GLN A 41 10.373 6.753 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.461 9.078 -1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.998 8.586 -3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.799 7.926 -2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.245 8.085 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.436 9.808 -3.806 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.147 11.377 -3.046 1.00 0.00 H new ATOM 662 N ALA A 42 8.770 5.187 -1.869 1.00 0.00 N ATOM 663 CA ALA A 42 7.938 4.120 -2.398 1.00 0.00 C ATOM 664 C ALA A 42 6.578 4.093 -1.709 1.00 0.00 C ATOM 665 O ALA A 42 6.358 4.786 -0.719 1.00 0.00 O ATOM 666 CB ALA A 42 8.637 2.778 -2.235 1.00 0.00 C ATOM 0 H ALA A 42 8.676 5.333 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 42 7.777 4.310 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.003 1.987 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.584 2.793 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.825 2.592 -1.178 1.00 0.00 H new ATOM 672 N PHE A 43 5.675 3.294 -2.246 1.00 0.00 N ATOM 673 CA PHE A 43 4.376 3.049 -1.637 1.00 0.00 C ATOM 674 C PHE A 43 4.225 1.559 -1.382 1.00 0.00 C ATOM 675 O PHE A 43 3.989 0.777 -2.304 1.00 0.00 O ATOM 676 CB PHE A 43 3.239 3.547 -2.534 1.00 0.00 C ATOM 677 CG PHE A 43 2.711 4.904 -2.162 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.865 5.054 -1.074 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.044 6.022 -2.906 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.364 6.295 -0.733 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.547 7.267 -2.570 1.00 0.00 C ATOM 682 CZ PHE A 43 1.706 7.404 -1.482 1.00 0.00 C ATOM 0 H PHE A 43 5.821 2.793 -3.122 1.00 0.00 H new ATOM 0 HA PHE A 43 4.319 3.597 -0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.591 3.576 -3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.420 2.828 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.594 4.190 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.699 5.921 -3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.706 6.398 0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.816 8.132 -3.157 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.317 8.376 -1.218 1.00 0.00 H new ATOM 692 N VAL A 44 4.381 1.167 -0.136 1.00 0.00 N ATOM 693 CA VAL A 44 4.439 -0.238 0.214 1.00 0.00 C ATOM 694 C VAL A 44 3.124 -0.708 0.812 1.00 0.00 C ATOM 695 O VAL A 44 2.490 0.000 1.592 1.00 0.00 O ATOM 696 CB VAL A 44 5.614 -0.504 1.177 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.610 -1.935 1.704 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.917 -0.204 0.457 1.00 0.00 C ATOM 0 H VAL A 44 4.470 1.804 0.656 1.00 0.00 H new ATOM 0 HA VAL A 44 4.608 -0.811 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 44 5.506 0.150 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.455 -2.077 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.681 -2.122 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.692 -2.631 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.755 -0.389 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.005 -0.847 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.927 0.840 0.143 1.00 0.00 H new ATOM 708 N LEU A 45 2.709 -1.898 0.420 1.00 0.00 N ATOM 709 CA LEU A 45 1.446 -2.446 0.864 1.00 0.00 C ATOM 710 C LEU A 45 1.669 -3.537 1.894 1.00 0.00 C ATOM 711 O LEU A 45 2.400 -4.504 1.651 1.00 0.00 O ATOM 712 CB LEU A 45 0.664 -2.979 -0.333 1.00 0.00 C ATOM 713 CG LEU A 45 0.208 -1.901 -1.317 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.600 -2.506 -2.453 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.598 -0.834 -0.594 1.00 0.00 C ATOM 0 H LEU A 45 3.234 -2.505 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 45 0.864 -1.655 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.284 -3.701 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.212 -3.517 0.030 1.00 0.00 H new ATOM 0 HG LEU A 45 1.094 -1.435 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.912 -1.717 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.012 -3.231 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.481 -3.004 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.916 -0.073 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.475 -1.290 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.018 -0.373 0.178 1.00 0.00 H new ATOM 727 N HIS A 46 1.038 -3.384 3.046 1.00 0.00 N ATOM 728 CA HIS A 46 1.243 -4.316 4.139 1.00 0.00 C ATOM 729 C HIS A 46 0.039 -5.236 4.294 1.00 0.00 C ATOM 730 O HIS A 46 -1.048 -4.805 4.684 1.00 0.00 O ATOM 731 CB HIS A 46 1.516 -3.566 5.445 1.00 0.00 C ATOM 732 CG HIS A 46 2.586 -4.200 6.289 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.845 -3.664 6.423 1.00 0.00 N ATOM 734 CD2 HIS A 46 2.581 -5.327 7.041 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.568 -4.427 7.217 1.00 0.00 C ATOM 736 NE2 HIS A 46 3.825 -5.442 7.606 1.00 0.00 N ATOM 0 H HIS A 46 0.384 -2.628 3.247 1.00 0.00 H new ATOM 0 HA HIS A 46 2.115 -4.927 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.807 -2.542 5.212 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.593 -3.511 6.023 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.170 -2.807 5.976 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.752 -6.007 7.171 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.595 -4.250 7.501 1.00 0.00 H new ATOM 745 N LEU A 47 0.258 -6.509 3.990 1.00 0.00 N ATOM 746 CA LEU A 47 -0.762 -7.544 4.088 1.00 0.00 C ATOM 747 C LEU A 47 -0.621 -8.248 5.412 1.00 0.00 C ATOM 748 O LEU A 47 -1.086 -9.363 5.605 1.00 0.00 O ATOM 749 CB LEU A 47 -0.556 -8.553 2.989 1.00 0.00 C ATOM 750 CG LEU A 47 -0.864 -8.072 1.566 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.327 -7.341 0.967 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.279 -9.245 0.691 1.00 0.00 C ATOM 0 H LEU A 47 1.160 -6.855 3.664 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.750 -7.091 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.481 -8.889 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.179 -9.422 3.200 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.694 -7.367 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.081 -7.011 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.570 -6.475 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.185 -8.012 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.495 -8.889 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.470 -9.974 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.170 -9.713 1.109 1.00 0.00 H new ATOM 764 N ALA A 48 0.178 -7.621 6.231 1.00 0.00 N ATOM 765 CA ALA A 48 0.378 -7.976 7.637 1.00 0.00 C ATOM 766 C ALA A 48 1.348 -9.123 7.745 1.00 0.00 C ATOM 767 O ALA A 48 2.452 -8.982 8.264 1.00 0.00 O ATOM 768 CB ALA A 48 -0.932 -8.329 8.321 1.00 0.00 C ATOM 0 H ALA A 48 0.735 -6.817 5.941 1.00 0.00 H new ATOM 0 HA ALA A 48 0.790 -7.104 8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.741 -8.587 9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.607 -7.475 8.277 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.389 -9.179 7.815 1.00 0.00 H new ATOM 774 N GLN A 49 0.932 -10.255 7.232 1.00 0.00 N ATOM 775 CA GLN A 49 1.798 -11.399 7.139 1.00 0.00 C ATOM 776 C GLN A 49 2.705 -11.213 5.932 1.00 0.00 C ATOM 777 O GLN A 49 3.784 -11.796 5.849 1.00 0.00 O ATOM 778 CB GLN A 49 0.983 -12.689 7.004 1.00 0.00 C ATOM 779 CG GLN A 49 -0.064 -12.897 8.099 1.00 0.00 C ATOM 780 CD GLN A 49 -1.321 -12.060 7.945 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.959 -11.705 8.936 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.697 -11.732 6.722 1.00 0.00 N ATOM 0 H GLN A 49 -0.010 -10.406 6.870 1.00 0.00 H new ATOM 0 HA GLN A 49 2.396 -11.483 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.482 -12.687 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.667 -13.538 7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.345 -13.950 8.118 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.390 -12.671 9.064 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.148 -12.041 5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.536 -11.170 6.580 1.00 0.00 H new ATOM 791 N ARG A 50 2.257 -10.374 4.999 1.00 0.00 N ATOM 792 CA ARG A 50 3.040 -10.082 3.807 1.00 0.00 C ATOM 793 C ARG A 50 3.368 -8.602 3.700 1.00 0.00 C ATOM 794 O ARG A 50 2.649 -7.757 4.234 1.00 0.00 O ATOM 795 CB ARG A 50 2.281 -10.510 2.563 1.00 0.00 C ATOM 796 CG ARG A 50 2.176 -12.009 2.405 1.00 0.00 C ATOM 797 CD ARG A 50 1.257 -12.359 1.260 1.00 0.00 C ATOM 798 NE ARG A 50 1.474 -13.723 0.789 1.00 0.00 N ATOM 799 CZ ARG A 50 1.058 -14.185 -0.387 1.00 0.00 C ATOM 800 NH1 ARG A 50 0.322 -13.422 -1.190 1.00 0.00 N ATOM 801 NH2 ARG A 50 1.367 -15.421 -0.754 1.00 0.00 N ATOM 0 H ARG A 50 1.361 -9.889 5.048 1.00 0.00 H new ATOM 0 HA ARG A 50 3.973 -10.640 3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.278 -10.085 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.775 -10.094 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.165 -12.432 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.801 -12.452 3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.221 -12.245 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.418 -11.661 0.438 1.00 0.00 H new ATOM 0 HE ARG A 50 1.978 -14.364 1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.072 -12.475 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.007 -13.784 -2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.921 -16.013 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.050 -15.780 -1.655 1.00 0.00 H new ATOM 815 N SER A 51 4.451 -8.302 3.001 1.00 0.00 N ATOM 816 CA SER A 51 4.818 -6.928 2.695 1.00 0.00 C ATOM 817 C SER A 51 5.394 -6.866 1.285 1.00 0.00 C ATOM 818 O SER A 51 6.344 -7.580 0.963 1.00 0.00 O ATOM 819 CB SER A 51 5.841 -6.409 3.711 1.00 0.00 C ATOM 820 OG SER A 51 5.387 -6.609 5.043 1.00 0.00 O ATOM 0 H SER A 51 5.097 -8.999 2.631 1.00 0.00 H new ATOM 0 HA SER A 51 3.932 -6.296 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.793 -6.921 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.021 -5.348 3.540 1.00 0.00 H new ATOM 0 HG SER A 51 6.058 -6.270 5.672 1.00 0.00 H new ATOM 826 N ILE A 52 4.808 -6.026 0.443 1.00 0.00 N ATOM 827 CA ILE A 52 5.208 -5.936 -0.959 1.00 0.00 C ATOM 828 C ILE A 52 5.616 -4.503 -1.302 1.00 0.00 C ATOM 829 O ILE A 52 4.965 -3.552 -0.870 1.00 0.00 O ATOM 830 CB ILE A 52 4.057 -6.398 -1.886 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.638 -7.831 -1.529 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.474 -6.312 -3.350 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.457 -8.338 -2.325 1.00 0.00 C ATOM 0 H ILE A 52 4.051 -5.394 0.705 1.00 0.00 H new ATOM 0 HA ILE A 52 6.063 -6.594 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 52 3.205 -5.735 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.485 -8.498 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.394 -7.874 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.650 -6.641 -3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.731 -5.281 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.340 -6.952 -3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.221 -9.356 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.595 -7.695 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.703 -8.328 -3.387 1.00 0.00 H new ATOM 845 N CYS A 53 6.667 -4.350 -2.102 1.00 0.00 N ATOM 846 CA CYS A 53 7.227 -3.032 -2.372 1.00 0.00 C ATOM 847 C CYS A 53 6.779 -2.511 -3.735 1.00 0.00 C ATOM 848 O CYS A 53 7.017 -3.133 -4.774 1.00 0.00 O ATOM 849 CB CYS A 53 8.756 -3.084 -2.318 1.00 0.00 C ATOM 850 SG CYS A 53 9.427 -3.701 -0.736 1.00 0.00 S ATOM 0 H CYS A 53 7.145 -5.119 -2.572 1.00 0.00 H new ATOM 0 HA CYS A 53 6.861 -2.350 -1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.116 -3.721 -3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.149 -2.084 -2.502 1.00 0.00 H new ATOM 855 N ILE A 54 6.128 -1.359 -3.708 1.00 0.00 N ATOM 856 CA ILE A 54 5.602 -0.722 -4.905 1.00 0.00 C ATOM 857 C ILE A 54 6.032 0.748 -4.930 1.00 0.00 C ATOM 858 O ILE A 54 6.234 1.344 -3.882 1.00 0.00 O ATOM 859 CB ILE A 54 4.056 -0.842 -4.947 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.640 -2.285 -5.255 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.451 0.120 -5.953 1.00 0.00 C ATOM 862 CD1 ILE A 54 2.141 -2.491 -5.286 1.00 0.00 C ATOM 0 H ILE A 54 5.949 -0.837 -2.850 1.00 0.00 H new ATOM 0 HA ILE A 54 6.002 -1.224 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 54 3.672 -0.572 -3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.058 -2.577 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.074 -2.947 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.367 0.009 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.710 1.143 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.841 -0.100 -6.947 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.922 -3.535 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.718 -2.231 -4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.702 -1.855 -6.055 1.00 0.00 H new ATOM 874 N HIS A 55 6.235 1.321 -6.111 1.00 0.00 N ATOM 875 CA HIS A 55 6.605 2.733 -6.195 1.00 0.00 C ATOM 876 C HIS A 55 5.375 3.582 -6.530 1.00 0.00 C ATOM 877 O HIS A 55 4.406 3.073 -7.095 1.00 0.00 O ATOM 878 CB HIS A 55 7.721 2.957 -7.233 1.00 0.00 C ATOM 879 CG HIS A 55 7.251 3.047 -8.658 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.144 4.239 -9.337 1.00 0.00 N ATOM 881 CD2 HIS A 55 6.854 2.088 -9.525 1.00 0.00 C ATOM 882 CE1 HIS A 55 6.699 4.012 -10.556 1.00 0.00 C ATOM 883 NE2 HIS A 55 6.516 2.713 -10.701 1.00 0.00 N ATOM 0 H HIS A 55 6.152 0.843 -7.008 1.00 0.00 H new ATOM 0 HA HIS A 55 6.991 3.042 -5.224 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.252 3.875 -6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.440 2.142 -7.154 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.811 1.027 -9.329 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.515 4.763 -11.310 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.180 2.250 -11.545 1.00 0.00 H new ATOM 892 N PRO A 56 5.398 4.879 -6.169 1.00 0.00 N ATOM 893 CA PRO A 56 4.314 5.819 -6.479 1.00 0.00 C ATOM 894 C PRO A 56 3.918 5.793 -7.950 1.00 0.00 C ATOM 895 O PRO A 56 4.756 5.559 -8.817 1.00 0.00 O ATOM 896 CB PRO A 56 4.910 7.184 -6.127 1.00 0.00 C ATOM 897 CG PRO A 56 5.948 6.897 -5.101 1.00 0.00 C ATOM 898 CD PRO A 56 6.483 5.526 -5.410 1.00 0.00 C ATOM 0 HA PRO A 56 3.405 5.573 -5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.344 7.663 -7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.148 7.860 -5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.744 7.641 -5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.523 6.931 -4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.402 5.579 -5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.716 4.974 -4.499 1.00 0.00 H new ATOM 906 N GLN A 57 2.634 6.027 -8.209 1.00 0.00 N ATOM 907 CA GLN A 57 2.105 6.126 -9.570 1.00 0.00 C ATOM 908 C GLN A 57 2.089 4.763 -10.259 1.00 0.00 C ATOM 909 O GLN A 57 2.210 4.663 -11.476 1.00 0.00 O ATOM 910 CB GLN A 57 2.910 7.146 -10.378 1.00 0.00 C ATOM 911 CG GLN A 57 2.905 8.521 -9.742 1.00 0.00 C ATOM 912 CD GLN A 57 3.877 9.479 -10.387 1.00 0.00 C ATOM 913 OE1 GLN A 57 4.145 9.409 -11.586 1.00 0.00 O ATOM 914 NE2 GLN A 57 4.430 10.368 -9.584 1.00 0.00 N ATOM 0 H GLN A 57 1.929 6.154 -7.482 1.00 0.00 H new ATOM 0 HA GLN A 57 1.073 6.471 -9.512 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.938 6.798 -10.476 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.499 7.213 -11.385 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.900 8.938 -9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.148 8.425 -8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.178 10.389 -8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.110 11.034 -9.951 1.00 0.00 H new ATOM 923 N ASN A 58 1.938 3.715 -9.460 1.00 0.00 N ATOM 924 CA ASN A 58 1.726 2.372 -9.987 1.00 0.00 C ATOM 925 C ASN A 58 0.234 2.064 -9.975 1.00 0.00 C ATOM 926 O ASN A 58 -0.445 2.347 -8.984 1.00 0.00 O ATOM 927 CB ASN A 58 2.484 1.330 -9.154 1.00 0.00 C ATOM 928 CG ASN A 58 2.304 -0.085 -9.680 1.00 0.00 C ATOM 929 OD1 ASN A 58 1.352 -0.775 -9.322 1.00 0.00 O ATOM 930 ND2 ASN A 58 3.228 -0.535 -10.521 1.00 0.00 N ATOM 0 H ASN A 58 1.958 3.769 -8.442 1.00 0.00 H new ATOM 0 HA ASN A 58 2.106 2.328 -11.008 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.545 1.578 -9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.139 1.376 -8.121 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.161 -1.483 -10.892 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.004 0.067 -10.796 1.00 0.00 H new ATOM 937 N PRO A 59 -0.298 1.496 -11.073 1.00 0.00 N ATOM 938 CA PRO A 59 -1.728 1.196 -11.206 1.00 0.00 C ATOM 939 C PRO A 59 -2.299 0.449 -10.003 1.00 0.00 C ATOM 940 O PRO A 59 -3.428 0.697 -9.593 1.00 0.00 O ATOM 941 CB PRO A 59 -1.790 0.313 -12.452 1.00 0.00 C ATOM 942 CG PRO A 59 -0.614 0.722 -13.264 1.00 0.00 C ATOM 943 CD PRO A 59 0.455 1.115 -12.286 1.00 0.00 C ATOM 0 HA PRO A 59 -2.321 2.108 -11.273 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.742 -0.744 -12.191 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.721 0.465 -12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.277 -0.096 -13.901 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.865 1.555 -13.921 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.140 0.290 -12.089 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.055 1.944 -12.661 1.00 0.00 H new ATOM 951 N SER A 60 -1.511 -0.451 -9.431 1.00 0.00 N ATOM 952 CA SER A 60 -1.978 -1.280 -8.329 1.00 0.00 C ATOM 953 C SER A 60 -2.219 -0.441 -7.076 1.00 0.00 C ATOM 954 O SER A 60 -3.179 -0.674 -6.343 1.00 0.00 O ATOM 955 CB SER A 60 -0.962 -2.381 -8.032 1.00 0.00 C ATOM 956 OG SER A 60 -1.547 -3.444 -7.297 1.00 0.00 O ATOM 0 H SER A 60 -0.546 -0.625 -9.712 1.00 0.00 H new ATOM 0 HA SER A 60 -2.924 -1.734 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.556 -2.765 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.127 -1.964 -7.469 1.00 0.00 H new ATOM 0 HG SER A 60 -2.255 -3.091 -6.719 1.00 0.00 H new ATOM 962 N LEU A 61 -1.357 0.543 -6.846 1.00 0.00 N ATOM 963 CA LEU A 61 -1.444 1.370 -5.647 1.00 0.00 C ATOM 964 C LEU A 61 -2.660 2.294 -5.738 1.00 0.00 C ATOM 965 O LEU A 61 -3.446 2.399 -4.793 1.00 0.00 O ATOM 966 CB LEU A 61 -0.146 2.179 -5.475 1.00 0.00 C ATOM 967 CG LEU A 61 0.284 2.487 -4.028 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.756 3.327 -3.306 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.557 1.201 -3.257 1.00 0.00 C ATOM 0 H LEU A 61 -0.591 0.788 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.567 0.731 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.663 1.635 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.260 3.124 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 61 1.207 3.065 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.421 3.526 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.892 4.271 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.703 2.788 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.859 1.445 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.347 0.593 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.355 0.644 -3.749 1.00 0.00 H new ATOM 981 N SER A 62 -2.821 2.949 -6.886 1.00 0.00 N ATOM 982 CA SER A 62 -3.954 3.846 -7.109 1.00 0.00 C ATOM 983 C SER A 62 -5.284 3.093 -7.015 1.00 0.00 C ATOM 984 O SER A 62 -6.218 3.527 -6.321 1.00 0.00 O ATOM 985 CB SER A 62 -3.825 4.517 -8.477 1.00 0.00 C ATOM 986 OG SER A 62 -2.581 5.188 -8.600 1.00 0.00 O ATOM 0 H SER A 62 -2.181 2.876 -7.677 1.00 0.00 H new ATOM 0 HA SER A 62 -3.943 4.608 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.917 3.768 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.640 5.227 -8.616 1.00 0.00 H new ATOM 0 HG SER A 62 -2.522 5.607 -9.484 1.00 0.00 H new ATOM 992 N GLN A 63 -5.365 1.955 -7.702 1.00 0.00 N ATOM 993 CA GLN A 63 -6.570 1.137 -7.671 1.00 0.00 C ATOM 994 C GLN A 63 -6.849 0.659 -6.255 1.00 0.00 C ATOM 995 O GLN A 63 -8.004 0.518 -5.860 1.00 0.00 O ATOM 996 CB GLN A 63 -6.455 -0.066 -8.611 1.00 0.00 C ATOM 997 CG GLN A 63 -6.372 0.305 -10.084 1.00 0.00 C ATOM 998 CD GLN A 63 -6.389 -0.910 -10.989 1.00 0.00 C ATOM 999 OE1 GLN A 63 -7.447 -1.355 -11.434 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -5.219 -1.465 -11.258 1.00 0.00 N ATOM 0 H GLN A 63 -4.614 1.582 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.398 1.758 -8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.569 -0.641 -8.341 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.316 -0.717 -8.459 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.208 0.956 -10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.459 0.874 -10.261 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.364 -1.066 -10.870 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.172 -2.292 -11.854 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.794 0.419 -5.485 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.958 -0.027 -4.114 1.00 0.00 C ATOM 1011 C TRP A 64 -6.614 1.059 -3.269 1.00 0.00 C ATOM 1012 O TRP A 64 -7.430 0.755 -2.409 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.623 -0.474 -3.497 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.758 -0.932 -2.070 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.957 -0.591 -1.019 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.767 -1.802 -1.534 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.408 -1.188 0.133 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.515 -1.932 -0.156 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.862 -2.480 -2.081 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.316 -2.708 0.675 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.650 -3.247 -1.255 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.378 -3.353 0.111 1.00 0.00 C ATOM 0 H TRP A 64 -4.825 0.526 -5.787 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.615 -0.896 -4.127 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.206 -1.285 -4.095 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.914 0.352 -3.542 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.094 0.055 -1.084 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.984 -1.091 1.056 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.085 -2.402 -3.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.105 -2.797 1.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.495 -3.777 -1.670 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.021 -3.958 0.733 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.290 2.321 -3.539 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.932 3.434 -2.841 1.00 0.00 C ATOM 1035 C PHE A 65 -8.453 3.331 -2.942 1.00 0.00 C ATOM 1036 O PHE A 65 -9.166 3.478 -1.945 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.483 4.781 -3.416 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.297 5.389 -2.722 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -5.452 6.037 -1.506 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.033 5.329 -3.287 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -4.369 6.612 -0.867 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.947 5.902 -2.650 1.00 0.00 C ATOM 1043 CZ PHE A 65 -3.115 6.545 -1.439 1.00 0.00 C ATOM 0 H PHE A 65 -5.593 2.598 -4.230 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.632 3.376 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.243 4.650 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.317 5.481 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.431 6.093 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.894 4.830 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.505 7.114 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.967 5.847 -3.100 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.268 6.994 -0.942 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.945 3.064 -4.143 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.387 2.981 -4.359 1.00 0.00 C ATOM 1055 C GLU A 66 -10.931 1.613 -3.933 1.00 0.00 C ATOM 1056 O GLU A 66 -12.034 1.503 -3.377 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.713 3.262 -5.823 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.258 4.640 -6.278 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.672 4.957 -7.698 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -9.982 4.511 -8.636 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.690 5.663 -7.882 1.00 0.00 O ATOM 0 H GLU A 66 -8.378 2.902 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.872 3.736 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.239 2.504 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.789 3.172 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.671 5.393 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.173 4.703 -6.198 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.152 0.568 -4.176 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.572 -0.782 -3.828 1.00 0.00 C ATOM 1070 C HIS A 67 -10.685 -0.941 -2.317 1.00 0.00 C ATOM 1071 O HIS A 67 -11.674 -1.479 -1.827 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.625 -1.835 -4.417 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.884 -2.137 -5.866 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.877 -3.415 -6.389 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.160 -1.314 -6.906 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.135 -3.361 -7.681 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.311 -2.100 -8.019 1.00 0.00 N ATOM 0 H HIS A 67 -9.231 0.628 -4.610 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.557 -0.943 -4.265 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.597 -1.490 -4.305 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.716 -2.756 -3.841 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.700 -4.268 -5.858 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.245 -0.238 -6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.192 -4.208 -8.349 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.694 -0.446 -1.576 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.724 -0.530 -0.117 1.00 0.00 C ATOM 1088 C GLN A 68 -10.902 0.265 0.424 1.00 0.00 C ATOM 1089 O GLN A 68 -11.466 -0.072 1.464 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.425 -0.005 0.505 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.273 1.509 0.429 1.00 0.00 C ATOM 1092 CD GLN A 68 -7.096 2.036 1.226 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -7.125 3.159 1.721 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -6.050 1.237 1.355 1.00 0.00 N ATOM 0 H GLN A 68 -8.867 0.013 -1.958 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.830 -1.581 0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.384 -0.313 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.578 -0.471 0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.157 1.803 -0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.188 1.977 0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.061 0.310 0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.232 1.548 1.880 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.274 1.314 -0.309 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.399 2.153 0.070 1.00 0.00 C ATOM 1105 C GLU A 69 -13.665 1.311 0.238 1.00 0.00 C ATOM 1106 O GLU A 69 -14.507 1.606 1.085 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.616 3.241 -0.984 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.704 4.241 -0.632 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.372 5.055 0.599 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -12.492 5.937 0.508 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.003 4.838 1.650 1.00 0.00 O ATOM 0 H GLU A 69 -10.808 1.600 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.176 2.627 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.679 3.778 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.867 2.767 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.861 4.913 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.642 3.709 -0.469 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.786 0.240 -0.546 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.979 -0.602 -0.467 1.00 0.00 C ATOM 1120 C ARG A 70 -14.678 -1.996 0.107 1.00 0.00 C ATOM 1121 O ARG A 70 -15.539 -2.879 0.070 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.636 -0.734 -1.845 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.890 -1.641 -2.814 1.00 0.00 C ATOM 1124 CD ARG A 70 -15.633 -1.767 -4.131 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.089 -2.833 -4.973 1.00 0.00 N ATOM 1126 CZ ARG A 70 -15.134 -2.821 -6.306 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -15.674 -1.793 -6.949 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -14.642 -3.842 -6.999 1.00 0.00 N ATOM 0 H ARG A 70 -13.090 -0.060 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.668 -0.109 0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.649 -1.116 -1.716 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.723 0.258 -2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.891 -1.243 -2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.764 -2.628 -2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.687 -1.964 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.581 -0.820 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.650 -3.631 -4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.057 -1.007 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.706 -1.789 -7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.229 -4.637 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.677 -3.831 -8.018 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.481 -2.199 0.651 1.00 0.00 N ATOM 1143 CA LYS A 71 -13.098 -3.521 1.165 1.00 0.00 C ATOM 1144 C LYS A 71 -12.657 -3.463 2.631 1.00 0.00 C ATOM 1145 O LYS A 71 -13.113 -2.599 3.387 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.981 -4.115 0.311 1.00 0.00 C ATOM 1147 CG LYS A 71 -12.365 -4.309 -1.134 1.00 0.00 C ATOM 1148 CD LYS A 71 -11.154 -4.653 -1.969 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.520 -4.736 -3.426 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.300 -5.960 -3.735 1.00 0.00 N ATOM 0 H LYS A 71 -12.765 -1.479 0.749 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.980 -4.159 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.109 -3.462 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.685 -5.076 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.106 -5.105 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.830 -3.400 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.381 -3.898 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.736 -5.604 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.100 -3.856 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.612 -4.723 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.866 -5.804 -4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.649 -6.757 -3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.932 -6.179 -2.939 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.727 -4.368 3.004 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.319 -4.578 4.384 1.00 0.00 C ATOM 1166 C LEU A 72 -12.510 -4.924 5.283 1.00 0.00 C ATOM 1167 O LEU A 72 -12.787 -6.099 5.527 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.551 -3.361 4.917 1.00 0.00 C ATOM 1169 CG LEU A 72 -9.247 -3.032 4.177 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.377 -4.262 4.013 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -9.521 -2.398 2.825 1.00 0.00 C ATOM 0 H LEU A 72 -11.242 -4.972 2.340 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.647 -5.436 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.205 -2.490 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.320 -3.530 5.969 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.706 -2.311 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.462 -3.993 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.125 -4.663 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.917 -5.016 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.576 -2.178 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.102 -3.086 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.082 -1.474 2.964 1.00 0.00 H new