USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 68 SER OG : rot 180:sc= -0.149 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.904 K(o=-1.1,f=-0.49) USER MOD Set 2.1: A 42 MET CE :methyl -159:sc= -1.42 (180deg=-1.02) USER MOD Set 2.2: A 61 MET CE :methyl -124:sc= -3.92! (180deg=-5.66!) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.65 K(o=-2,f=-6.3!) USER MOD Set 3.2: A 60 GLN : amide:sc= -0.324 K(o=-2,f=-4.1!) USER MOD Set 4.1: A 17 THR OG1 : rot 180:sc= -0.0098 USER MOD Set 4.2: A 64 THR OG1 : rot -81:sc= 0.807 USER MOD Single : A 23 GLN : amide:sc=-0.00692 X(o=-0.0069,f=-0.036) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.000622 X(o=-0.00062,f=-0.12) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0053 USER MOD Single : A 43 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.4) USER MOD Single : A 44 THR OG1 : rot 81:sc= 0.815 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.0786 USER MOD Single : A 50 THR OG1 : rot 34:sc= 0.446 USER MOD Single : A 57 ASN : amide:sc= -0.358 K(o=-0.36,f=-3.1!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00735 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -152:sc= -1.3 (180deg=-3.96) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= -0.0238 (180deg=-0.307) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 16 -4.976 12.314 1.206 1.00 0.00 N ATOM 178 CA ALA A 16 -4.189 11.489 0.305 1.00 0.00 C ATOM 179 C ALA A 16 -3.813 10.185 1.012 1.00 0.00 C ATOM 180 O ALA A 16 -2.684 9.712 0.890 1.00 0.00 O ATOM 181 CB ALA A 16 -2.962 12.273 -0.164 1.00 0.00 C ATOM 0 HA ALA A 16 -4.768 11.228 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.371 11.654 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.284 13.175 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.355 12.549 0.698 1.00 0.00 H new ATOM 187 N THR A 17 -4.781 9.642 1.736 1.00 0.00 N ATOM 188 CA THR A 17 -4.565 8.402 2.462 1.00 0.00 C ATOM 189 C THR A 17 -5.183 7.225 1.703 1.00 0.00 C ATOM 190 O THR A 17 -6.248 7.359 1.104 1.00 0.00 O ATOM 191 CB THR A 17 -5.128 8.577 3.874 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.344 9.627 4.432 1.00 0.00 O ATOM 193 CG2 THR A 17 -4.836 7.375 4.774 1.00 0.00 C ATOM 0 H THR A 17 -5.716 10.038 1.835 1.00 0.00 H new ATOM 0 HA THR A 17 -3.503 8.172 2.546 1.00 0.00 H new ATOM 0 HB THR A 17 -6.205 8.735 3.818 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.643 9.807 5.348 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.257 7.551 5.764 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.284 6.480 4.343 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.758 7.236 4.858 1.00 0.00 H new ATOM 201 N VAL A 18 -4.486 6.099 1.754 1.00 0.00 N ATOM 202 CA VAL A 18 -4.952 4.900 1.079 1.00 0.00 C ATOM 203 C VAL A 18 -4.679 3.683 1.964 1.00 0.00 C ATOM 204 O VAL A 18 -3.727 3.679 2.743 1.00 0.00 O ATOM 205 CB VAL A 18 -4.305 4.792 -0.303 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.824 5.887 -1.238 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.779 4.838 -0.199 1.00 0.00 C ATOM 0 H VAL A 18 -3.602 5.992 2.252 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.029 4.948 0.916 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.583 3.828 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.348 5.788 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.904 5.789 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.590 6.865 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.344 4.759 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.474 5.780 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.431 4.008 0.415 1.00 0.00 H new ATOM 217 N VAL A 19 -5.530 2.679 1.814 1.00 0.00 N ATOM 218 CA VAL A 19 -5.392 1.458 2.590 1.00 0.00 C ATOM 219 C VAL A 19 -4.716 0.387 1.732 1.00 0.00 C ATOM 220 O VAL A 19 -5.081 0.194 0.573 1.00 0.00 O ATOM 221 CB VAL A 19 -6.756 1.021 3.126 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.626 -0.221 4.010 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.439 2.163 3.882 1.00 0.00 C ATOM 0 H VAL A 19 -6.318 2.686 1.166 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.756 1.628 3.459 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.383 0.761 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.610 -0.510 4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.201 -1.039 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.974 0.000 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.407 1.826 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.815 2.468 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.582 3.009 3.210 1.00 0.00 H new ATOM 233 N VAL A 20 -3.743 -0.282 2.333 1.00 0.00 N ATOM 234 CA VAL A 20 -3.013 -1.328 1.638 1.00 0.00 C ATOM 235 C VAL A 20 -3.176 -2.647 2.397 1.00 0.00 C ATOM 236 O VAL A 20 -3.021 -2.690 3.616 1.00 0.00 O ATOM 237 CB VAL A 20 -1.550 -0.917 1.461 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.711 -2.087 0.943 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.430 0.296 0.537 1.00 0.00 C ATOM 0 H VAL A 20 -3.443 -0.120 3.294 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.418 -1.476 0.637 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.160 -0.633 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.325 -1.768 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.759 -2.912 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.101 -2.416 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.380 0.568 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.845 0.051 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.979 1.135 0.964 1.00 0.00 H new ATOM 249 N ASN A 21 -3.486 -3.692 1.643 1.00 0.00 N ATOM 250 CA ASN A 21 -3.671 -5.009 2.228 1.00 0.00 C ATOM 251 C ASN A 21 -2.966 -6.052 1.360 1.00 0.00 C ATOM 252 O ASN A 21 -2.583 -5.766 0.227 1.00 0.00 O ATOM 253 CB ASN A 21 -5.155 -5.377 2.298 1.00 0.00 C ATOM 254 CG ASN A 21 -5.890 -4.502 3.316 1.00 0.00 C ATOM 255 OD1 ASN A 21 -5.908 -3.285 3.228 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.492 -5.187 4.283 1.00 0.00 N ATOM 0 H ASN A 21 -3.614 -3.653 0.632 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.256 -4.992 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.610 -5.257 1.315 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.260 -6.427 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.009 -4.694 5.011 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.437 -6.205 4.297 1.00 0.00 H new ATOM 263 N LEU A 22 -2.815 -7.241 1.925 1.00 0.00 N ATOM 264 CA LEU A 22 -2.162 -8.329 1.217 1.00 0.00 C ATOM 265 C LEU A 22 -3.213 -9.351 0.780 1.00 0.00 C ATOM 266 O LEU A 22 -4.048 -9.769 1.581 1.00 0.00 O ATOM 267 CB LEU A 22 -1.040 -8.926 2.069 1.00 0.00 C ATOM 268 CG LEU A 22 0.184 -8.034 2.288 1.00 0.00 C ATOM 269 CD1 LEU A 22 1.224 -8.736 3.163 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.774 -7.576 0.952 1.00 0.00 C ATOM 0 H LEU A 22 -3.134 -7.475 2.865 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.681 -7.959 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.452 -9.189 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.710 -9.853 1.601 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.136 -7.140 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.084 -8.081 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.785 -8.971 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.546 -9.657 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.643 -6.944 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.076 -8.447 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.024 -7.011 0.398 1.00 0.00 H new ATOM 282 N GLN A 23 -3.138 -9.723 -0.490 1.00 0.00 N ATOM 283 CA GLN A 23 -4.073 -10.688 -1.043 1.00 0.00 C ATOM 284 C GLN A 23 -3.879 -12.055 -0.382 1.00 0.00 C ATOM 285 O GLN A 23 -4.851 -12.737 -0.061 1.00 0.00 O ATOM 286 CB GLN A 23 -3.924 -10.788 -2.562 1.00 0.00 C ATOM 287 CG GLN A 23 -4.685 -9.661 -3.263 1.00 0.00 C ATOM 288 CD GLN A 23 -5.774 -10.221 -4.180 1.00 0.00 C ATOM 289 OE1 GLN A 23 -6.603 -11.024 -3.783 1.00 0.00 O ATOM 290 NE2 GLN A 23 -5.725 -9.756 -5.425 1.00 0.00 N ATOM 0 H GLN A 23 -2.444 -9.374 -1.151 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.086 -10.345 -0.832 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.869 -10.741 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.298 -11.753 -2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.134 -9.003 -2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.990 -9.056 -3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.004 -9.085 -5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.408 -10.070 -6.114 1.00 0.00 H new ATOM 299 N SER A 24 -2.617 -12.413 -0.197 1.00 0.00 N ATOM 300 CA SER A 24 -2.283 -13.685 0.419 1.00 0.00 C ATOM 301 C SER A 24 -1.174 -13.490 1.455 1.00 0.00 C ATOM 302 O SER A 24 -0.030 -13.880 1.227 1.00 0.00 O ATOM 303 CB SER A 24 -1.852 -14.711 -0.631 1.00 0.00 C ATOM 304 OG SER A 24 -2.952 -15.166 -1.415 1.00 0.00 O ATOM 0 H SER A 24 -1.813 -11.844 -0.463 1.00 0.00 H new ATOM 0 HA SER A 24 -3.174 -14.067 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.100 -14.268 -1.284 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.383 -15.561 -0.136 1.00 0.00 H new ATOM 0 HG SER A 24 -2.636 -15.818 -2.075 1.00 0.00 H new ATOM 310 N PRO A 25 -1.561 -12.869 2.601 1.00 0.00 N ATOM 311 CA PRO A 25 -0.613 -12.616 3.673 1.00 0.00 C ATOM 312 C PRO A 25 -0.294 -13.903 4.437 1.00 0.00 C ATOM 313 O PRO A 25 -0.964 -14.918 4.257 1.00 0.00 O ATOM 314 CB PRO A 25 -1.274 -11.558 4.542 1.00 0.00 C ATOM 315 CG PRO A 25 -2.752 -11.595 4.191 1.00 0.00 C ATOM 316 CD PRO A 25 -2.907 -12.392 2.907 1.00 0.00 C ATOM 0 HA PRO A 25 0.352 -12.265 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.118 -11.769 5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.851 -10.573 4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.324 -12.055 4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.139 -10.584 4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.601 -13.222 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.300 -11.772 2.101 1.00 0.00 H new ATOM 324 N THR A 26 0.730 -13.817 5.274 1.00 0.00 N ATOM 325 CA THR A 26 1.146 -14.962 6.066 1.00 0.00 C ATOM 326 C THR A 26 0.857 -14.718 7.549 1.00 0.00 C ATOM 327 O THR A 26 0.430 -13.630 7.931 1.00 0.00 O ATOM 328 CB THR A 26 2.623 -15.229 5.771 1.00 0.00 C ATOM 329 OG1 THR A 26 2.662 -15.450 4.364 1.00 0.00 O ATOM 330 CG2 THR A 26 3.110 -16.551 6.368 1.00 0.00 C ATOM 0 H THR A 26 1.283 -12.973 5.421 1.00 0.00 H new ATOM 0 HA THR A 26 0.580 -15.854 5.799 1.00 0.00 H new ATOM 0 HB THR A 26 3.225 -14.409 6.164 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.585 -15.629 4.086 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.164 -16.692 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.983 -16.530 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.531 -17.374 5.950 1.00 0.00 H new ATOM 338 N LEU A 27 1.102 -15.750 8.344 1.00 0.00 N ATOM 339 CA LEU A 27 0.873 -15.661 9.776 1.00 0.00 C ATOM 340 C LEU A 27 1.417 -14.328 10.294 1.00 0.00 C ATOM 341 O LEU A 27 0.673 -13.528 10.860 1.00 0.00 O ATOM 342 CB LEU A 27 1.459 -16.882 10.489 1.00 0.00 C ATOM 343 CG LEU A 27 0.550 -18.110 10.571 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.774 -19.039 9.377 1.00 0.00 C ATOM 345 CD2 LEU A 27 0.732 -18.837 11.905 1.00 0.00 C ATOM 0 H LEU A 27 1.456 -16.651 8.024 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.195 -15.676 9.992 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.379 -17.169 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.734 -16.589 11.502 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.486 -17.773 10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.116 -19.904 9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.555 -18.504 8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.812 -19.373 9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.075 -19.706 11.938 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.768 -19.161 12.004 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.483 -18.162 12.724 1.00 0.00 H new ATOM 357 N GLU A 28 2.710 -14.129 10.081 1.00 0.00 N ATOM 358 CA GLU A 28 3.361 -12.907 10.518 1.00 0.00 C ATOM 359 C GLU A 28 2.458 -11.700 10.255 1.00 0.00 C ATOM 360 O GLU A 28 2.144 -10.943 11.172 1.00 0.00 O ATOM 361 CB GLU A 28 4.719 -12.734 9.835 1.00 0.00 C ATOM 362 CG GLU A 28 4.587 -12.847 8.315 1.00 0.00 C ATOM 363 CD GLU A 28 5.915 -13.262 7.678 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.959 -12.831 8.212 1.00 0.00 O ATOM 365 OE2 GLU A 28 5.855 -14.000 6.672 1.00 0.00 O ATOM 0 H GLU A 28 3.324 -14.795 9.611 1.00 0.00 H new ATOM 0 HA GLU A 28 3.537 -12.977 11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.140 -11.763 10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.413 -13.491 10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.817 -13.577 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.265 -11.891 7.902 1.00 0.00 H new ATOM 372 N GLU A 29 2.066 -11.558 8.997 1.00 0.00 N ATOM 373 CA GLU A 29 1.205 -10.457 8.601 1.00 0.00 C ATOM 374 C GLU A 29 -0.154 -10.569 9.296 1.00 0.00 C ATOM 375 O GLU A 29 -0.633 -9.604 9.890 1.00 0.00 O ATOM 376 CB GLU A 29 1.041 -10.408 7.081 1.00 0.00 C ATOM 377 CG GLU A 29 0.379 -9.100 6.643 1.00 0.00 C ATOM 378 CD GLU A 29 -1.113 -9.305 6.370 1.00 0.00 C ATOM 379 OE1 GLU A 29 -1.733 -10.062 7.148 1.00 0.00 O ATOM 380 OE2 GLU A 29 -1.599 -8.700 5.391 1.00 0.00 O ATOM 0 H GLU A 29 2.329 -12.188 8.239 1.00 0.00 H new ATOM 0 HA GLU A 29 1.675 -9.524 8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.016 -10.504 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.439 -11.254 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.510 -8.345 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.868 -8.724 5.745 1.00 0.00 H new ATOM 387 N LYS A 30 -0.737 -11.755 9.199 1.00 0.00 N ATOM 388 CA LYS A 30 -2.030 -12.005 9.811 1.00 0.00 C ATOM 389 C LYS A 30 -2.074 -11.344 11.190 1.00 0.00 C ATOM 390 O LYS A 30 -3.140 -10.946 11.658 1.00 0.00 O ATOM 391 CB LYS A 30 -2.329 -13.505 9.838 1.00 0.00 C ATOM 392 CG LYS A 30 -3.163 -13.921 8.624 1.00 0.00 C ATOM 393 CD LYS A 30 -4.491 -14.544 9.059 1.00 0.00 C ATOM 394 CE LYS A 30 -4.798 -15.803 8.246 1.00 0.00 C ATOM 395 NZ LYS A 30 -5.413 -15.445 6.948 1.00 0.00 N ATOM 0 H LYS A 30 -0.337 -12.553 8.706 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.826 -11.556 9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.394 -14.065 9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.864 -13.756 10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.354 -13.052 7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.603 -14.635 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.450 -14.793 10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.296 -13.820 8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.880 -16.367 8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.471 -16.451 8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.615 -16.311 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.299 -14.927 7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.758 -14.845 6.407 1.00 0.00 H new ATOM 409 N ASN A 31 -0.903 -11.248 11.802 1.00 0.00 N ATOM 410 CA ASN A 31 -0.794 -10.643 13.119 1.00 0.00 C ATOM 411 C ASN A 31 -0.569 -9.137 12.965 1.00 0.00 C ATOM 412 O ASN A 31 -1.231 -8.337 13.624 1.00 0.00 O ATOM 413 CB ASN A 31 0.390 -11.221 13.895 1.00 0.00 C ATOM 414 CG ASN A 31 -0.087 -12.166 15.000 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.927 -11.830 15.819 1.00 0.00 O ATOM 416 ND2 ASN A 31 0.493 -13.362 14.978 1.00 0.00 N ATOM 0 H ASN A 31 -0.021 -11.579 11.410 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.716 -10.850 13.663 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.050 -11.757 13.213 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.974 -10.411 14.332 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.242 -14.063 15.675 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.189 -13.578 14.264 1.00 0.00 H new ATOM 423 N GLU A 32 0.367 -8.797 12.092 1.00 0.00 N ATOM 424 CA GLU A 32 0.688 -7.402 11.844 1.00 0.00 C ATOM 425 C GLU A 32 1.597 -7.276 10.619 1.00 0.00 C ATOM 426 O GLU A 32 2.547 -8.042 10.465 1.00 0.00 O ATOM 427 CB GLU A 32 1.333 -6.761 13.074 1.00 0.00 C ATOM 428 CG GLU A 32 0.495 -5.586 13.583 1.00 0.00 C ATOM 429 CD GLU A 32 1.388 -4.419 14.008 1.00 0.00 C ATOM 430 OE1 GLU A 32 1.677 -3.577 13.130 1.00 0.00 O ATOM 431 OE2 GLU A 32 1.762 -4.395 15.200 1.00 0.00 O ATOM 0 H GLU A 32 0.914 -9.464 11.547 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.239 -6.867 11.640 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.439 -7.505 13.863 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.336 -6.416 12.825 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.190 -5.258 12.802 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.115 -5.908 14.427 1.00 0.00 H new ATOM 438 N PHE A 33 1.274 -6.303 9.780 1.00 0.00 N ATOM 439 CA PHE A 33 2.049 -6.067 8.574 1.00 0.00 C ATOM 440 C PHE A 33 3.548 -6.205 8.850 1.00 0.00 C ATOM 441 O PHE A 33 4.069 -5.599 9.785 1.00 0.00 O ATOM 442 CB PHE A 33 1.755 -4.634 8.126 1.00 0.00 C ATOM 443 CG PHE A 33 1.964 -4.394 6.630 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.153 -4.711 6.050 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.962 -3.864 5.879 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.348 -4.488 4.661 1.00 0.00 C ATOM 447 CE2 PHE A 33 1.156 -3.641 4.490 1.00 0.00 C ATOM 448 CZ PHE A 33 2.345 -3.958 3.911 1.00 0.00 C ATOM 0 H PHE A 33 0.486 -5.669 9.912 1.00 0.00 H new ATOM 0 HA PHE A 33 1.779 -6.796 7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.724 -4.388 8.382 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.394 -3.951 8.686 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.949 -5.132 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.018 -3.612 6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.292 -4.739 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.360 -3.220 3.894 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.493 -3.789 2.855 1.00 0.00 H new ATOM 458 N PRO A 34 4.217 -7.026 7.997 1.00 0.00 N ATOM 459 CA PRO A 34 5.645 -7.251 8.139 1.00 0.00 C ATOM 460 C PRO A 34 6.442 -6.039 7.653 1.00 0.00 C ATOM 461 O PRO A 34 6.138 -5.472 6.604 1.00 0.00 O ATOM 462 CB PRO A 34 5.927 -8.510 7.335 1.00 0.00 C ATOM 463 CG PRO A 34 4.743 -8.680 6.397 1.00 0.00 C ATOM 464 CD PRO A 34 3.633 -7.760 6.877 1.00 0.00 C ATOM 0 HA PRO A 34 5.949 -7.382 9.177 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.858 -8.416 6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.034 -9.375 7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.028 -8.433 5.374 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.405 -9.716 6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.310 -7.083 6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.756 -8.327 7.189 1.00 0.00 H new ATOM 472 N GLU A 35 7.447 -5.678 8.437 1.00 0.00 N ATOM 473 CA GLU A 35 8.290 -4.544 8.099 1.00 0.00 C ATOM 474 C GLU A 35 8.980 -4.778 6.753 1.00 0.00 C ATOM 475 O GLU A 35 9.010 -3.888 5.904 1.00 0.00 O ATOM 476 CB GLU A 35 9.316 -4.276 9.202 1.00 0.00 C ATOM 477 CG GLU A 35 9.020 -2.956 9.917 1.00 0.00 C ATOM 478 CD GLU A 35 9.962 -2.753 11.105 1.00 0.00 C ATOM 479 OE1 GLU A 35 11.189 -2.833 10.878 1.00 0.00 O ATOM 480 OE2 GLU A 35 9.434 -2.522 12.215 1.00 0.00 O ATOM 0 H GLU A 35 7.697 -6.151 9.306 1.00 0.00 H new ATOM 0 HA GLU A 35 7.659 -3.660 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.304 -5.094 9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.317 -4.245 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.128 -2.127 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.986 -2.949 10.263 1.00 0.00 H new ATOM 487 N ASP A 36 9.517 -5.979 6.601 1.00 0.00 N ATOM 488 CA ASP A 36 10.205 -6.341 5.373 1.00 0.00 C ATOM 489 C ASP A 36 9.301 -6.034 4.178 1.00 0.00 C ATOM 490 O ASP A 36 9.785 -5.819 3.068 1.00 0.00 O ATOM 491 CB ASP A 36 10.534 -7.835 5.346 1.00 0.00 C ATOM 492 CG ASP A 36 10.973 -8.425 6.687 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.085 -8.063 7.129 1.00 0.00 O ATOM 494 OD2 ASP A 36 10.188 -9.225 7.240 1.00 0.00 O ATOM 0 H ASP A 36 9.490 -6.714 7.307 1.00 0.00 H new ATOM 0 HA ASP A 36 11.130 -5.767 5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.656 -8.379 4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.325 -8.004 4.615 1.00 0.00 H new ATOM 499 N LEU A 37 8.003 -6.022 4.446 1.00 0.00 N ATOM 500 CA LEU A 37 7.027 -5.745 3.406 1.00 0.00 C ATOM 501 C LEU A 37 6.720 -4.246 3.387 1.00 0.00 C ATOM 502 O LEU A 37 6.806 -3.605 2.340 1.00 0.00 O ATOM 503 CB LEU A 37 5.787 -6.624 3.587 1.00 0.00 C ATOM 504 CG LEU A 37 5.943 -8.093 3.189 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.578 -8.772 3.056 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.779 -8.231 1.915 1.00 0.00 C ATOM 0 H LEU A 37 7.605 -6.200 5.368 1.00 0.00 H new ATOM 0 HA LEU A 37 7.431 -6.001 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.486 -6.582 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.973 -6.194 3.003 1.00 0.00 H new ATOM 0 HG LEU A 37 6.483 -8.607 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.717 -9.815 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.052 -8.722 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.991 -8.263 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.874 -9.285 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.290 -7.699 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.769 -7.808 2.082 1.00 0.00 H new ATOM 518 N ARG A 38 6.370 -3.731 4.556 1.00 0.00 N ATOM 519 CA ARG A 38 6.051 -2.320 4.686 1.00 0.00 C ATOM 520 C ARG A 38 6.979 -1.482 3.806 1.00 0.00 C ATOM 521 O ARG A 38 6.568 -0.988 2.757 1.00 0.00 O ATOM 522 CB ARG A 38 6.182 -1.857 6.139 1.00 0.00 C ATOM 523 CG ARG A 38 4.861 -2.032 6.892 1.00 0.00 C ATOM 524 CD ARG A 38 5.085 -2.722 8.239 1.00 0.00 C ATOM 525 NE ARG A 38 5.854 -1.835 9.140 1.00 0.00 N ATOM 526 CZ ARG A 38 5.833 -1.923 10.477 1.00 0.00 C ATOM 527 NH1 ARG A 38 5.083 -2.857 11.076 1.00 0.00 N ATOM 528 NH2 ARG A 38 6.562 -1.075 11.216 1.00 0.00 N ATOM 0 H ARG A 38 6.300 -4.266 5.422 1.00 0.00 H new ATOM 0 HA ARG A 38 5.019 -2.183 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.967 -2.427 6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.483 -0.810 6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.397 -1.059 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.169 -2.620 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.126 -2.972 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.622 -3.659 8.092 1.00 0.00 H new ATOM 0 HE ARG A 38 6.436 -1.112 8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.527 -3.502 10.514 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.068 -2.923 12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.133 -0.363 10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.546 -1.142 12.234 1.00 0.00 H new ATOM 542 N THR A 39 8.215 -1.347 4.264 1.00 0.00 N ATOM 543 CA THR A 39 9.206 -0.577 3.531 1.00 0.00 C ATOM 544 C THR A 39 9.090 -0.851 2.030 1.00 0.00 C ATOM 545 O THR A 39 9.022 0.080 1.229 1.00 0.00 O ATOM 546 CB THR A 39 10.584 -0.911 4.105 1.00 0.00 C ATOM 547 OG1 THR A 39 10.488 -0.539 5.477 1.00 0.00 O ATOM 548 CG2 THR A 39 11.685 -0.006 3.550 1.00 0.00 C ATOM 0 H THR A 39 8.553 -1.758 5.134 1.00 0.00 H new ATOM 0 HA THR A 39 9.041 0.494 3.648 1.00 0.00 H new ATOM 0 HB THR A 39 10.825 -1.951 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.339 -0.724 5.926 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.642 -0.286 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.737 -0.118 2.467 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.462 1.032 3.797 1.00 0.00 H new ATOM 556 N GLU A 40 9.071 -2.133 1.695 1.00 0.00 N ATOM 557 CA GLU A 40 8.965 -2.541 0.304 1.00 0.00 C ATOM 558 C GLU A 40 7.818 -1.796 -0.382 1.00 0.00 C ATOM 559 O GLU A 40 7.947 -1.372 -1.529 1.00 0.00 O ATOM 560 CB GLU A 40 8.780 -4.056 0.190 1.00 0.00 C ATOM 561 CG GLU A 40 10.007 -4.711 -0.448 1.00 0.00 C ATOM 562 CD GLU A 40 10.000 -4.525 -1.966 1.00 0.00 C ATOM 563 OE1 GLU A 40 9.944 -3.351 -2.394 1.00 0.00 O ATOM 564 OE2 GLU A 40 10.051 -5.560 -2.665 1.00 0.00 O ATOM 0 H GLU A 40 9.127 -2.902 2.362 1.00 0.00 H new ATOM 0 HA GLU A 40 9.895 -2.282 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.610 -4.481 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.895 -4.274 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.915 -4.277 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.022 -5.774 -0.208 1.00 0.00 H new ATOM 571 N LEU A 41 6.722 -1.658 0.351 1.00 0.00 N ATOM 572 CA LEU A 41 5.554 -0.972 -0.173 1.00 0.00 C ATOM 573 C LEU A 41 5.759 0.540 -0.051 1.00 0.00 C ATOM 574 O LEU A 41 5.709 1.259 -1.047 1.00 0.00 O ATOM 575 CB LEU A 41 4.283 -1.477 0.513 1.00 0.00 C ATOM 576 CG LEU A 41 3.500 -2.557 -0.238 1.00 0.00 C ATOM 577 CD1 LEU A 41 3.940 -3.956 0.198 1.00 0.00 C ATOM 578 CD2 LEU A 41 1.992 -2.353 -0.076 1.00 0.00 C ATOM 0 H LEU A 41 6.619 -2.010 1.303 1.00 0.00 H new ATOM 0 HA LEU A 41 5.426 -1.193 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.554 -1.868 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.622 -0.627 0.680 1.00 0.00 H new ATOM 0 HG LEU A 41 3.725 -2.466 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.368 -4.705 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.002 -4.085 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.764 -4.076 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.459 -3.133 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.730 -2.402 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.712 -1.378 -0.474 1.00 0.00 H new ATOM 590 N MET A 42 5.984 0.976 1.180 1.00 0.00 N ATOM 591 CA MET A 42 6.197 2.389 1.445 1.00 0.00 C ATOM 592 C MET A 42 7.053 3.030 0.351 1.00 0.00 C ATOM 593 O MET A 42 6.749 4.125 -0.120 1.00 0.00 O ATOM 594 CB MET A 42 6.889 2.556 2.799 1.00 0.00 C ATOM 595 CG MET A 42 5.864 2.665 3.929 1.00 0.00 C ATOM 596 SD MET A 42 5.173 1.058 4.284 1.00 0.00 S ATOM 597 CE MET A 42 3.530 1.274 3.619 1.00 0.00 C ATOM 0 H MET A 42 6.023 0.376 2.004 1.00 0.00 H new ATOM 0 HA MET A 42 5.227 2.887 1.459 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.548 1.707 2.982 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.515 3.448 2.784 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.338 3.072 4.823 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.071 3.357 3.646 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.857 0.543 4.067 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.176 2.280 3.844 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.553 1.131 2.539 1.00 0.00 H new ATOM 607 N GLN A 43 8.108 2.320 -0.022 1.00 0.00 N ATOM 608 CA GLN A 43 9.011 2.805 -1.052 1.00 0.00 C ATOM 609 C GLN A 43 8.367 2.662 -2.433 1.00 0.00 C ATOM 610 O GLN A 43 8.423 3.583 -3.246 1.00 0.00 O ATOM 611 CB GLN A 43 10.353 2.074 -0.994 1.00 0.00 C ATOM 612 CG GLN A 43 10.220 0.641 -1.515 1.00 0.00 C ATOM 613 CD GLN A 43 11.545 -0.113 -1.391 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.098 -0.276 -0.315 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.022 -0.563 -2.548 1.00 0.00 N ATOM 0 H GLN A 43 8.358 1.412 0.371 1.00 0.00 H new ATOM 0 HA GLN A 43 9.203 3.862 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.091 2.614 -1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.719 2.059 0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.446 0.117 -0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.903 0.657 -2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.509 -0.392 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.901 -1.079 -2.571 1.00 0.00 H new ATOM 624 N THR A 44 7.771 1.499 -2.655 1.00 0.00 N ATOM 625 CA THR A 44 7.117 1.223 -3.923 1.00 0.00 C ATOM 626 C THR A 44 6.083 2.306 -4.237 1.00 0.00 C ATOM 627 O THR A 44 6.268 3.097 -5.161 1.00 0.00 O ATOM 628 CB THR A 44 6.521 -0.184 -3.851 1.00 0.00 C ATOM 629 OG1 THR A 44 7.657 -1.044 -3.877 1.00 0.00 O ATOM 630 CG2 THR A 44 5.743 -0.555 -5.115 1.00 0.00 C ATOM 0 H THR A 44 7.727 0.737 -1.978 1.00 0.00 H new ATOM 0 HA THR A 44 7.828 1.248 -4.749 1.00 0.00 H new ATOM 0 HB THR A 44 5.862 -0.256 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.047 -1.098 -2.980 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.341 -1.563 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.924 0.150 -5.258 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.409 -0.516 -5.977 1.00 0.00 H new ATOM 638 N LEU A 45 5.018 2.308 -3.450 1.00 0.00 N ATOM 639 CA LEU A 45 3.954 3.281 -3.632 1.00 0.00 C ATOM 640 C LEU A 45 4.535 4.692 -3.524 1.00 0.00 C ATOM 641 O LEU A 45 4.234 5.556 -4.346 1.00 0.00 O ATOM 642 CB LEU A 45 2.808 3.011 -2.655 1.00 0.00 C ATOM 643 CG LEU A 45 2.315 1.565 -2.583 1.00 0.00 C ATOM 644 CD1 LEU A 45 2.163 1.109 -1.130 1.00 0.00 C ATOM 645 CD2 LEU A 45 1.019 1.387 -3.378 1.00 0.00 C ATOM 0 H LEU A 45 4.869 1.651 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 45 3.521 3.190 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.127 3.315 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.966 3.648 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 45 3.067 0.925 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.811 0.078 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.127 1.175 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.442 1.749 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.690 0.350 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.248 2.040 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.195 1.644 -4.422 1.00 0.00 H new ATOM 657 N GLY A 46 5.358 4.882 -2.503 1.00 0.00 N ATOM 658 CA GLY A 46 5.984 6.173 -2.276 1.00 0.00 C ATOM 659 C GLY A 46 6.543 6.748 -3.580 1.00 0.00 C ATOM 660 O GLY A 46 6.444 7.949 -3.825 1.00 0.00 O ATOM 0 H GLY A 46 5.606 4.163 -1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.256 6.865 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.787 6.069 -1.547 1.00 0.00 H new ATOM 664 N SER A 47 7.118 5.863 -4.380 1.00 0.00 N ATOM 665 CA SER A 47 7.693 6.267 -5.652 1.00 0.00 C ATOM 666 C SER A 47 6.683 7.103 -6.441 1.00 0.00 C ATOM 667 O SER A 47 6.929 8.274 -6.726 1.00 0.00 O ATOM 668 CB SER A 47 8.129 5.050 -6.471 1.00 0.00 C ATOM 669 OG SER A 47 9.292 5.319 -7.249 1.00 0.00 O ATOM 0 H SER A 47 7.198 4.868 -4.172 1.00 0.00 H new ATOM 0 HA SER A 47 8.577 6.872 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.327 4.214 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.315 4.745 -7.129 1.00 0.00 H new ATOM 0 HG SER A 47 9.539 4.517 -7.756 1.00 0.00 H new ATOM 675 N TYR A 48 5.567 6.468 -6.771 1.00 0.00 N ATOM 676 CA TYR A 48 4.519 7.139 -7.521 1.00 0.00 C ATOM 677 C TYR A 48 4.371 8.595 -7.075 1.00 0.00 C ATOM 678 O TYR A 48 4.395 9.506 -7.901 1.00 0.00 O ATOM 679 CB TYR A 48 3.226 6.386 -7.203 1.00 0.00 C ATOM 680 CG TYR A 48 3.119 5.018 -7.878 1.00 0.00 C ATOM 681 CD1 TYR A 48 3.669 3.905 -7.274 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.473 4.896 -9.091 1.00 0.00 C ATOM 683 CE1 TYR A 48 3.568 2.617 -7.909 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.373 3.607 -9.727 1.00 0.00 C ATOM 685 CZ TYR A 48 2.925 2.532 -9.105 1.00 0.00 C ATOM 686 OH TYR A 48 2.830 1.315 -9.705 1.00 0.00 O ATOM 0 H TYR A 48 5.366 5.497 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 48 4.750 7.142 -8.586 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.151 6.254 -6.124 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.377 6.998 -7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.175 4.001 -6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.042 5.766 -9.564 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.993 1.738 -7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.871 3.497 -10.677 1.00 0.00 H new ATOM 0 HH TYR A 48 2.809 0.614 -9.021 1.00 0.00 H new ATOM 696 N GLY A 49 4.222 8.768 -5.770 1.00 0.00 N ATOM 697 CA GLY A 49 4.071 10.098 -5.205 1.00 0.00 C ATOM 698 C GLY A 49 5.147 10.372 -4.153 1.00 0.00 C ATOM 699 O GLY A 49 6.339 10.259 -4.435 1.00 0.00 O ATOM 0 H GLY A 49 4.203 8.010 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.134 10.843 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.083 10.196 -4.754 1.00 0.00 H new ATOM 703 N THR A 50 4.689 10.728 -2.962 1.00 0.00 N ATOM 704 CA THR A 50 5.598 11.019 -1.866 1.00 0.00 C ATOM 705 C THR A 50 4.948 10.668 -0.526 1.00 0.00 C ATOM 706 O THR A 50 3.852 11.137 -0.222 1.00 0.00 O ATOM 707 CB THR A 50 6.013 12.488 -1.974 1.00 0.00 C ATOM 708 OG1 THR A 50 7.250 12.448 -2.680 1.00 0.00 O ATOM 709 CG2 THR A 50 6.377 13.094 -0.617 1.00 0.00 C ATOM 0 H THR A 50 3.700 10.822 -2.732 1.00 0.00 H new ATOM 0 HA THR A 50 6.498 10.407 -1.925 1.00 0.00 H new ATOM 0 HB THR A 50 5.203 13.063 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.234 11.711 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.664 14.137 -0.750 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.517 13.036 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.210 12.541 -0.183 1.00 0.00 H new ATOM 717 N ILE A 51 5.651 9.846 0.239 1.00 0.00 N ATOM 718 CA ILE A 51 5.156 9.427 1.539 1.00 0.00 C ATOM 719 C ILE A 51 5.259 10.596 2.520 1.00 0.00 C ATOM 720 O ILE A 51 6.332 10.870 3.055 1.00 0.00 O ATOM 721 CB ILE A 51 5.884 8.165 2.008 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.589 6.985 1.080 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.546 7.847 3.465 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.161 6.474 1.280 1.00 0.00 C ATOM 0 H ILE A 51 6.559 9.459 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 51 4.102 9.155 1.476 1.00 0.00 H new ATOM 0 HB ILE A 51 6.957 8.352 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.728 7.290 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.298 6.180 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.076 6.946 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.848 8.681 4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.472 7.688 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.977 5.635 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.033 6.147 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.454 7.275 1.062 1.00 0.00 H new ATOM 736 N VAL A 52 4.128 11.254 2.727 1.00 0.00 N ATOM 737 CA VAL A 52 4.076 12.388 3.634 1.00 0.00 C ATOM 738 C VAL A 52 3.845 11.884 5.060 1.00 0.00 C ATOM 739 O VAL A 52 4.135 12.588 6.026 1.00 0.00 O ATOM 740 CB VAL A 52 3.009 13.382 3.171 1.00 0.00 C ATOM 741 CG1 VAL A 52 3.268 13.832 1.732 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.607 12.788 3.316 1.00 0.00 C ATOM 0 H VAL A 52 3.240 11.023 2.282 1.00 0.00 H new ATOM 0 HA VAL A 52 5.024 12.925 3.628 1.00 0.00 H new ATOM 0 HB VAL A 52 3.068 14.261 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.496 14.538 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.244 14.313 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.249 12.966 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.867 13.515 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.530 11.885 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.423 12.540 4.361 1.00 0.00 H new ATOM 752 N LEU A 53 3.325 10.669 5.147 1.00 0.00 N ATOM 753 CA LEU A 53 3.051 10.063 6.439 1.00 0.00 C ATOM 754 C LEU A 53 2.418 8.686 6.228 1.00 0.00 C ATOM 755 O LEU A 53 1.796 8.436 5.196 1.00 0.00 O ATOM 756 CB LEU A 53 2.207 11.001 7.304 1.00 0.00 C ATOM 757 CG LEU A 53 1.372 10.335 8.399 1.00 0.00 C ATOM 758 CD1 LEU A 53 2.199 10.125 9.668 1.00 0.00 C ATOM 759 CD2 LEU A 53 0.093 11.129 8.673 1.00 0.00 C ATOM 0 H LEU A 53 3.086 10.087 4.344 1.00 0.00 H new ATOM 0 HA LEU A 53 3.978 9.907 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.872 11.727 7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.535 11.559 6.651 1.00 0.00 H new ATOM 0 HG LEU A 53 1.069 9.349 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.581 9.650 10.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.054 9.487 9.444 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.552 11.088 10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.482 10.634 9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.353 12.137 8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.504 11.183 7.763 1.00 0.00 H new ATOM 771 N VAL A 54 2.598 7.828 7.221 1.00 0.00 N ATOM 772 CA VAL A 54 2.053 6.483 7.157 1.00 0.00 C ATOM 773 C VAL A 54 1.510 6.091 8.533 1.00 0.00 C ATOM 774 O VAL A 54 1.994 6.573 9.556 1.00 0.00 O ATOM 775 CB VAL A 54 3.114 5.512 6.635 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.691 5.996 5.303 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.222 5.303 7.669 1.00 0.00 C ATOM 0 H VAL A 54 3.114 8.038 8.075 1.00 0.00 H new ATOM 0 HA VAL A 54 1.220 6.442 6.455 1.00 0.00 H new ATOM 0 HB VAL A 54 2.632 4.550 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.443 5.288 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.892 6.070 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.150 6.975 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.963 4.609 7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.700 6.258 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.793 4.893 8.584 1.00 0.00 H new ATOM 787 N ARG A 55 0.511 5.221 8.513 1.00 0.00 N ATOM 788 CA ARG A 55 -0.104 4.759 9.746 1.00 0.00 C ATOM 789 C ARG A 55 -0.721 3.374 9.545 1.00 0.00 C ATOM 790 O ARG A 55 -1.610 3.202 8.712 1.00 0.00 O ATOM 791 CB ARG A 55 -1.188 5.730 10.219 1.00 0.00 C ATOM 792 CG ARG A 55 -1.411 5.611 11.728 1.00 0.00 C ATOM 793 CD ARG A 55 -2.857 5.220 12.039 1.00 0.00 C ATOM 794 NE ARG A 55 -3.308 5.894 13.278 1.00 0.00 N ATOM 795 CZ ARG A 55 -3.713 7.170 13.334 1.00 0.00 C ATOM 796 NH1 ARG A 55 -3.726 7.918 12.222 1.00 0.00 N ATOM 797 NH2 ARG A 55 -4.105 7.698 14.501 1.00 0.00 N ATOM 0 H ARG A 55 0.112 4.824 7.662 1.00 0.00 H new ATOM 0 HA ARG A 55 0.676 4.706 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.900 6.751 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.120 5.524 9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.732 4.866 12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.175 6.560 12.210 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.505 5.498 11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.933 4.139 12.155 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.311 5.353 14.143 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.428 7.516 11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.034 8.889 12.264 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.095 7.129 15.347 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.413 8.669 14.543 1.00 0.00 H new ATOM 811 N ILE A 56 -0.227 2.422 10.323 1.00 0.00 N ATOM 812 CA ILE A 56 -0.719 1.058 10.241 1.00 0.00 C ATOM 813 C ILE A 56 -1.941 0.905 11.149 1.00 0.00 C ATOM 814 O ILE A 56 -1.955 1.417 12.267 1.00 0.00 O ATOM 815 CB ILE A 56 0.403 0.064 10.548 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.332 -0.104 9.344 1.00 0.00 C ATOM 817 CG2 ILE A 56 -0.165 -1.275 11.024 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.294 -1.275 9.552 1.00 0.00 C ATOM 0 H ILE A 56 0.509 2.569 11.013 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.045 0.832 9.226 1.00 0.00 H new ATOM 0 HB ILE A 56 1.003 0.468 11.364 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.740 -0.271 8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.899 0.814 9.187 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.654 -1.963 11.235 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.752 -1.120 11.930 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.802 -1.697 10.247 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.943 -1.372 8.681 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.901 -1.094 10.439 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.724 -2.195 9.684 1.00 0.00 H new ATOM 830 N ASN A 57 -2.937 0.199 10.633 1.00 0.00 N ATOM 831 CA ASN A 57 -4.160 -0.027 11.384 1.00 0.00 C ATOM 832 C ASN A 57 -4.132 -1.434 11.985 1.00 0.00 C ATOM 833 O ASN A 57 -3.477 -2.327 11.451 1.00 0.00 O ATOM 834 CB ASN A 57 -5.389 0.076 10.478 1.00 0.00 C ATOM 835 CG ASN A 57 -6.361 1.140 10.991 1.00 0.00 C ATOM 836 OD1 ASN A 57 -6.094 1.855 11.943 1.00 0.00 O ATOM 837 ND2 ASN A 57 -7.502 1.204 10.310 1.00 0.00 N ATOM 0 H ASN A 57 -2.922 -0.224 9.705 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.222 0.732 12.164 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.077 0.322 9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.893 -0.890 10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.217 1.881 10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.662 0.576 9.523 1.00 0.00 H new ATOM 844 N GLN A 58 -4.852 -1.586 13.087 1.00 0.00 N ATOM 845 CA GLN A 58 -4.918 -2.869 13.766 1.00 0.00 C ATOM 846 C GLN A 58 -4.551 -3.999 12.802 1.00 0.00 C ATOM 847 O GLN A 58 -3.676 -4.812 13.097 1.00 0.00 O ATOM 848 CB GLN A 58 -6.302 -3.096 14.376 1.00 0.00 C ATOM 849 CG GLN A 58 -6.527 -2.181 15.581 1.00 0.00 C ATOM 850 CD GLN A 58 -6.129 -2.881 16.882 1.00 0.00 C ATOM 851 OE1 GLN A 58 -6.912 -3.576 17.508 1.00 0.00 O ATOM 852 NE2 GLN A 58 -4.872 -2.658 17.254 1.00 0.00 N ATOM 0 H GLN A 58 -5.394 -0.842 13.526 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.195 -2.864 14.581 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.069 -2.909 13.625 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.402 -4.137 14.682 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.944 -1.267 15.462 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.575 -1.887 15.628 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.269 -2.065 16.684 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.511 -3.080 18.110 1.00 0.00 H new ATOM 861 N GLY A 59 -5.238 -4.014 11.670 1.00 0.00 N ATOM 862 CA GLY A 59 -4.996 -5.031 10.661 1.00 0.00 C ATOM 863 C GLY A 59 -5.093 -4.441 9.252 1.00 0.00 C ATOM 864 O GLY A 59 -5.766 -4.999 8.387 1.00 0.00 O ATOM 0 H GLY A 59 -5.963 -3.338 11.429 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.008 -5.467 10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.721 -5.838 10.772 1.00 0.00 H new ATOM 868 N GLN A 60 -4.412 -3.320 9.067 1.00 0.00 N ATOM 869 CA GLN A 60 -4.414 -2.648 7.779 1.00 0.00 C ATOM 870 C GLN A 60 -3.218 -1.699 7.674 1.00 0.00 C ATOM 871 O GLN A 60 -2.454 -1.550 8.626 1.00 0.00 O ATOM 872 CB GLN A 60 -5.729 -1.900 7.552 1.00 0.00 C ATOM 873 CG GLN A 60 -6.650 -2.682 6.614 1.00 0.00 C ATOM 874 CD GLN A 60 -8.104 -2.607 7.086 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.438 -1.934 8.046 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.946 -3.335 6.358 1.00 0.00 N ATOM 0 H GLN A 60 -3.855 -2.860 9.787 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.324 -3.403 6.998 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.229 -1.738 8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.524 -0.917 7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.571 -2.282 5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.331 -3.723 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.599 -3.876 5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.939 -3.352 6.592 1.00 0.00 H new ATOM 885 N MET A 61 -3.093 -1.082 6.508 1.00 0.00 N ATOM 886 CA MET A 61 -2.003 -0.152 6.266 1.00 0.00 C ATOM 887 C MET A 61 -2.514 1.133 5.613 1.00 0.00 C ATOM 888 O MET A 61 -2.866 1.138 4.435 1.00 0.00 O ATOM 889 CB MET A 61 -0.964 -0.809 5.356 1.00 0.00 C ATOM 890 CG MET A 61 0.457 -0.476 5.816 1.00 0.00 C ATOM 891 SD MET A 61 0.566 1.249 6.262 1.00 0.00 S ATOM 892 CE MET A 61 2.280 1.335 6.753 1.00 0.00 C ATOM 0 H MET A 61 -3.729 -1.208 5.720 1.00 0.00 H new ATOM 0 HA MET A 61 -1.550 0.105 7.223 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.106 -1.890 5.357 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.107 -0.469 4.330 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.727 -1.098 6.669 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.168 -0.700 5.020 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.348 1.718 7.771 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.721 0.339 6.710 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.819 2.000 6.078 1.00 0.00 H new ATOM 902 N LEU A 62 -2.539 2.193 6.408 1.00 0.00 N ATOM 903 CA LEU A 62 -3.001 3.482 5.922 1.00 0.00 C ATOM 904 C LEU A 62 -1.795 4.335 5.524 1.00 0.00 C ATOM 905 O LEU A 62 -1.114 4.894 6.383 1.00 0.00 O ATOM 906 CB LEU A 62 -3.911 4.149 6.955 1.00 0.00 C ATOM 907 CG LEU A 62 -5.380 3.719 6.933 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.674 2.714 8.048 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.308 4.933 6.995 1.00 0.00 C ATOM 0 H LEU A 62 -2.247 2.185 7.385 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.611 3.355 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.509 3.947 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.867 5.228 6.806 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.574 3.215 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.724 2.425 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.050 1.830 7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.458 3.169 9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.345 4.599 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.120 5.488 7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.120 5.579 6.137 1.00 0.00 H new ATOM 921 N VAL A 63 -1.566 4.408 4.221 1.00 0.00 N ATOM 922 CA VAL A 63 -0.454 5.184 3.699 1.00 0.00 C ATOM 923 C VAL A 63 -0.962 6.551 3.238 1.00 0.00 C ATOM 924 O VAL A 63 -1.955 6.637 2.516 1.00 0.00 O ATOM 925 CB VAL A 63 0.253 4.403 2.588 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.466 5.173 2.063 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.655 3.008 3.070 1.00 0.00 C ATOM 0 H VAL A 63 -2.132 3.942 3.511 1.00 0.00 H new ATOM 0 HA VAL A 63 0.288 5.359 4.478 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.449 4.283 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.950 4.596 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.142 6.134 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.172 5.339 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.155 2.474 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.332 3.098 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.235 2.457 3.372 1.00 0.00 H new ATOM 937 N THR A 64 -0.259 7.586 3.673 1.00 0.00 N ATOM 938 CA THR A 64 -0.627 8.945 3.314 1.00 0.00 C ATOM 939 C THR A 64 0.401 9.538 2.349 1.00 0.00 C ATOM 940 O THR A 64 1.601 9.309 2.496 1.00 0.00 O ATOM 941 CB THR A 64 -0.783 9.750 4.606 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.700 8.985 5.383 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.502 11.081 4.384 1.00 0.00 C ATOM 0 H THR A 64 0.564 7.511 4.271 1.00 0.00 H new ATOM 0 HA THR A 64 -1.578 8.970 2.782 1.00 0.00 H new ATOM 0 HB THR A 64 0.200 9.937 5.038 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.616 9.176 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.586 11.612 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.935 11.687 3.678 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.498 10.894 3.983 1.00 0.00 H new ATOM 951 N PHE A 65 -0.107 10.289 1.383 1.00 0.00 N ATOM 952 CA PHE A 65 0.753 10.918 0.393 1.00 0.00 C ATOM 953 C PHE A 65 0.551 12.434 0.376 1.00 0.00 C ATOM 954 O PHE A 65 -0.173 12.977 1.209 1.00 0.00 O ATOM 955 CB PHE A 65 0.356 10.347 -0.970 1.00 0.00 C ATOM 956 CG PHE A 65 0.753 8.883 -1.171 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.971 8.574 -1.693 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.111 7.891 -0.828 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.339 7.216 -1.880 1.00 0.00 C ATOM 960 CE2 PHE A 65 0.257 6.532 -1.015 1.00 0.00 C ATOM 961 CZ PHE A 65 1.475 6.223 -1.537 1.00 0.00 C ATOM 0 H PHE A 65 -1.103 10.476 1.264 1.00 0.00 H new ATOM 0 HA PHE A 65 1.799 10.721 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.723 10.440 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.818 10.949 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.658 9.362 -1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.077 8.136 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.306 6.971 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.430 5.744 -0.743 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.756 5.190 -1.679 1.00 0.00 H new ATOM 971 N ALA A 66 1.206 13.075 -0.581 1.00 0.00 N ATOM 972 CA ALA A 66 1.108 14.518 -0.717 1.00 0.00 C ATOM 973 C ALA A 66 0.043 14.857 -1.762 1.00 0.00 C ATOM 974 O ALA A 66 -0.709 15.816 -1.599 1.00 0.00 O ATOM 975 CB ALA A 66 2.481 15.091 -1.077 1.00 0.00 C ATOM 0 H ALA A 66 1.807 12.621 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 66 0.801 14.972 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.408 16.174 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.194 14.848 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.820 14.660 -2.019 1.00 0.00 H new ATOM 981 N ASP A 67 0.012 14.049 -2.812 1.00 0.00 N ATOM 982 CA ASP A 67 -0.949 14.251 -3.883 1.00 0.00 C ATOM 983 C ASP A 67 -1.985 13.126 -3.851 1.00 0.00 C ATOM 984 O ASP A 67 -1.819 12.144 -3.129 1.00 0.00 O ATOM 985 CB ASP A 67 -0.263 14.223 -5.250 1.00 0.00 C ATOM 986 CG ASP A 67 0.034 15.597 -5.853 1.00 0.00 C ATOM 987 OD1 ASP A 67 -0.129 16.590 -5.111 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.419 15.625 -7.042 1.00 0.00 O ATOM 0 H ASP A 67 0.637 13.254 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.420 15.223 -3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.674 13.673 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.893 13.667 -5.944 1.00 0.00 H new ATOM 993 N SER A 68 -3.033 13.307 -4.641 1.00 0.00 N ATOM 994 CA SER A 68 -4.097 12.320 -4.713 1.00 0.00 C ATOM 995 C SER A 68 -3.836 11.352 -5.868 1.00 0.00 C ATOM 996 O SER A 68 -3.906 10.137 -5.693 1.00 0.00 O ATOM 997 CB SER A 68 -5.461 12.991 -4.880 1.00 0.00 C ATOM 998 OG SER A 68 -5.573 13.668 -6.129 1.00 0.00 O ATOM 0 H SER A 68 -3.168 14.123 -5.237 1.00 0.00 H new ATOM 0 HA SER A 68 -4.110 11.762 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.247 12.239 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.618 13.700 -4.068 1.00 0.00 H new ATOM 0 HG SER A 68 -6.459 14.082 -6.198 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.540 11.927 -7.025 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.268 11.131 -8.209 1.00 0.00 C ATOM 1006 C HIS A 69 -2.369 9.950 -7.838 1.00 0.00 C ATOM 1007 O HIS A 69 -2.715 8.797 -8.092 1.00 0.00 O ATOM 1008 CB HIS A 69 -2.679 11.998 -9.323 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.308 13.366 -9.436 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -2.616 14.475 -9.888 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -4.573 13.791 -9.151 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -3.436 15.516 -9.871 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -4.648 15.090 -9.413 1.00 0.00 N ATOM 0 H HIS A 69 -3.483 12.935 -7.167 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.200 10.724 -8.600 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.609 12.115 -9.151 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.794 11.477 -10.274 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.377 13.175 -8.776 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.188 16.524 -10.168 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.476 15.674 -9.292 1.00 0.00 H new ATOM 1021 N SER A 70 -1.231 10.278 -7.243 1.00 0.00 N ATOM 1022 CA SER A 70 -0.280 9.259 -6.834 1.00 0.00 C ATOM 1023 C SER A 70 -1.017 8.079 -6.197 1.00 0.00 C ATOM 1024 O SER A 70 -0.979 6.965 -6.715 1.00 0.00 O ATOM 1025 CB SER A 70 0.753 9.828 -5.860 1.00 0.00 C ATOM 1026 OG SER A 70 0.139 10.498 -4.762 1.00 0.00 O ATOM 0 H SER A 70 -0.947 11.235 -7.035 1.00 0.00 H new ATOM 0 HA SER A 70 0.250 8.911 -7.721 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.382 9.020 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.406 10.522 -6.389 1.00 0.00 H new ATOM 0 HG SER A 70 0.832 10.846 -4.162 1.00 0.00 H new ATOM 1032 N ALA A 71 -1.672 8.366 -5.081 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.417 7.343 -4.367 1.00 0.00 C ATOM 1034 C ALA A 71 -3.516 6.790 -5.277 1.00 0.00 C ATOM 1035 O ALA A 71 -3.963 5.658 -5.098 1.00 0.00 O ATOM 1036 CB ALA A 71 -2.976 7.930 -3.069 1.00 0.00 C ATOM 0 H ALA A 71 -1.702 9.292 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.765 6.513 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.535 7.162 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.154 8.282 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.638 8.764 -3.302 1.00 0.00 H new ATOM 1042 N LEU A 72 -3.919 7.614 -6.233 1.00 0.00 N ATOM 1043 CA LEU A 72 -4.956 7.222 -7.171 1.00 0.00 C ATOM 1044 C LEU A 72 -4.416 6.129 -8.095 1.00 0.00 C ATOM 1045 O LEU A 72 -5.077 5.116 -8.318 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.496 8.445 -7.915 1.00 0.00 C ATOM 1047 CG LEU A 72 -7.020 8.571 -7.981 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -7.441 9.564 -9.066 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -7.676 7.202 -8.170 1.00 0.00 C ATOM 0 H LEU A 72 -3.546 8.552 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.809 6.798 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.097 9.341 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.108 8.426 -8.934 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.372 8.967 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.528 9.635 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.019 10.544 -8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.076 9.221 -10.034 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.759 7.320 -8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.322 6.754 -9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.415 6.555 -7.333 1.00 0.00 H new ATOM 1061 N SER A 73 -3.219 6.371 -8.609 1.00 0.00 N ATOM 1062 CA SER A 73 -2.581 5.420 -9.504 1.00 0.00 C ATOM 1063 C SER A 73 -2.342 4.096 -8.776 1.00 0.00 C ATOM 1064 O SER A 73 -2.926 3.074 -9.132 1.00 0.00 O ATOM 1065 CB SER A 73 -1.262 5.974 -10.047 1.00 0.00 C ATOM 1066 OG SER A 73 -1.287 6.118 -11.464 1.00 0.00 O ATOM 0 H SER A 73 -2.674 7.213 -8.423 1.00 0.00 H new ATOM 0 HA SER A 73 -3.246 5.247 -10.350 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.059 6.941 -9.588 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.446 5.309 -9.764 1.00 0.00 H new ATOM 0 HG SER A 73 -0.428 6.476 -11.772 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.483 4.158 -7.769 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.159 2.976 -6.988 1.00 0.00 C ATOM 1074 C VAL A 74 -2.450 2.237 -6.631 1.00 0.00 C ATOM 1075 O VAL A 74 -2.454 1.014 -6.502 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.336 3.369 -5.760 1.00 0.00 C ATOM 1077 CG1 VAL A 74 0.940 4.109 -6.169 1.00 0.00 C ATOM 1078 CG2 VAL A 74 -1.168 4.208 -4.788 1.00 0.00 C ATOM 0 H VAL A 74 -1.002 5.008 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.542 2.291 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.043 2.453 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.507 4.377 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.547 3.464 -6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.676 5.014 -6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.559 4.474 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.505 5.116 -5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.033 3.632 -4.459 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.515 3.011 -6.481 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.810 2.445 -6.140 1.00 0.00 C ATOM 1090 C LEU A 75 -5.317 1.602 -7.312 1.00 0.00 C ATOM 1091 O LEU A 75 -5.824 0.499 -7.114 1.00 0.00 O ATOM 1092 CB LEU A 75 -5.780 3.547 -5.711 1.00 0.00 C ATOM 1093 CG LEU A 75 -5.778 3.899 -4.222 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -6.449 5.253 -3.977 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.420 2.784 -3.394 1.00 0.00 C ATOM 0 H LEU A 75 -3.508 4.025 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.721 1.779 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.548 4.449 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.789 3.245 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.742 3.989 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.434 5.479 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.910 6.030 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.481 5.216 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.406 3.060 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.451 2.638 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.862 1.859 -3.535 1.00 0.00 H new ATOM 1107 N ASP A 76 -5.162 2.153 -8.507 1.00 0.00 N ATOM 1108 CA ASP A 76 -5.598 1.465 -9.710 1.00 0.00 C ATOM 1109 C ASP A 76 -4.571 0.393 -10.080 1.00 0.00 C ATOM 1110 O ASP A 76 -4.920 -0.776 -10.242 1.00 0.00 O ATOM 1111 CB ASP A 76 -5.713 2.435 -10.888 1.00 0.00 C ATOM 1112 CG ASP A 76 -7.052 3.167 -10.995 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -7.398 3.863 -10.016 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -7.700 3.013 -12.052 1.00 0.00 O ATOM 0 H ASP A 76 -4.741 3.068 -8.668 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.574 1.022 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.917 3.175 -10.809 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.543 1.882 -11.812 1.00 0.00 H new ATOM 1119 N VAL A 77 -3.326 0.828 -10.203 1.00 0.00 N ATOM 1120 CA VAL A 77 -2.246 -0.080 -10.550 1.00 0.00 C ATOM 1121 C VAL A 77 -1.990 -1.032 -9.380 1.00 0.00 C ATOM 1122 O VAL A 77 -1.217 -1.980 -9.505 1.00 0.00 O ATOM 1123 CB VAL A 77 -1.004 0.715 -10.957 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -0.384 1.420 -9.748 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.020 -0.185 -11.652 1.00 0.00 C ATOM 0 H VAL A 77 -3.041 1.798 -10.068 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.521 -0.690 -11.411 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.314 1.480 -11.668 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.497 1.978 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.112 2.106 -9.314 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.096 0.679 -9.003 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.893 0.405 -11.931 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.323 -0.983 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.425 -0.619 -12.547 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.654 -0.746 -8.270 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.508 -1.565 -7.079 1.00 0.00 C ATOM 1137 C ASP A 78 -2.320 -3.027 -7.490 1.00 0.00 C ATOM 1138 O ASP A 78 -1.572 -3.764 -6.850 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.753 -1.478 -6.194 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.957 -2.280 -6.693 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -5.505 -1.885 -7.746 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.303 -3.268 -6.011 1.00 0.00 O ATOM 0 H ASP A 78 -3.295 0.042 -8.170 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.645 -1.200 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.494 -1.824 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.044 -0.432 -6.104 1.00 0.00 H new ATOM 1147 N GLY A 79 -3.013 -3.402 -8.555 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.932 -4.762 -9.059 1.00 0.00 C ATOM 1149 C GLY A 79 -1.504 -5.300 -8.959 1.00 0.00 C ATOM 1150 O GLY A 79 -1.299 -6.505 -8.815 1.00 0.00 O ATOM 0 H GLY A 79 -3.633 -2.788 -9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.607 -5.404 -8.493 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.263 -4.789 -10.097 1.00 0.00 H new ATOM 1154 N MET A 80 -0.552 -4.382 -9.040 1.00 0.00 N ATOM 1155 CA MET A 80 0.851 -4.749 -8.960 1.00 0.00 C ATOM 1156 C MET A 80 1.093 -5.748 -7.828 1.00 0.00 C ATOM 1157 O MET A 80 0.203 -6.000 -7.017 1.00 0.00 O ATOM 1158 CB MET A 80 1.694 -3.494 -8.723 1.00 0.00 C ATOM 1159 CG MET A 80 1.406 -2.892 -7.347 1.00 0.00 C ATOM 1160 SD MET A 80 0.779 -1.230 -7.527 1.00 0.00 S ATOM 1161 CE MET A 80 0.800 -0.704 -5.821 1.00 0.00 C ATOM 0 H MET A 80 -0.725 -3.384 -9.160 1.00 0.00 H new ATOM 0 HA MET A 80 1.139 -5.219 -9.901 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.752 -3.743 -8.801 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.482 -2.757 -9.498 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.680 -3.508 -6.816 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.316 -2.883 -6.747 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.029 0.050 -5.663 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.609 -1.560 -5.174 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.776 -0.280 -5.583 1.00 0.00 H new ATOM 1171 N LYS A 81 2.302 -6.290 -7.808 1.00 0.00 N ATOM 1172 CA LYS A 81 2.672 -7.257 -6.788 1.00 0.00 C ATOM 1173 C LYS A 81 3.963 -6.801 -6.104 1.00 0.00 C ATOM 1174 O LYS A 81 4.797 -6.141 -6.722 1.00 0.00 O ATOM 1175 CB LYS A 81 2.757 -8.662 -7.387 1.00 0.00 C ATOM 1176 CG LYS A 81 1.377 -9.321 -7.434 1.00 0.00 C ATOM 1177 CD LYS A 81 1.046 -9.800 -8.849 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.466 -9.921 -9.048 1.00 0.00 C ATOM 1179 NZ LYS A 81 -0.768 -10.787 -10.210 1.00 0.00 N ATOM 0 H LYS A 81 3.038 -6.078 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 81 1.903 -7.310 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.173 -8.608 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.436 -9.274 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.349 -10.165 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.620 -8.612 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.458 -9.102 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.518 -10.766 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.925 -10.334 -8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.899 -8.932 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.798 -10.859 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.346 -10.377 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.372 -11.735 -10.049 1.00 0.00 H new ATOM 1193 N VAL A 82 4.087 -7.171 -4.838 1.00 0.00 N ATOM 1194 CA VAL A 82 5.262 -6.809 -4.064 1.00 0.00 C ATOM 1195 C VAL A 82 5.965 -8.081 -3.586 1.00 0.00 C ATOM 1196 O VAL A 82 5.372 -8.893 -2.877 1.00 0.00 O ATOM 1197 CB VAL A 82 4.867 -5.877 -2.917 1.00 0.00 C ATOM 1198 CG1 VAL A 82 6.084 -5.502 -2.071 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.160 -4.627 -3.445 1.00 0.00 C ATOM 0 H VAL A 82 3.393 -7.718 -4.329 1.00 0.00 H new ATOM 0 HA VAL A 82 5.971 -6.259 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 82 4.167 -6.413 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.775 -4.839 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.527 -6.405 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.819 -4.994 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.890 -3.981 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.827 -4.089 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.259 -4.919 -3.984 1.00 0.00 H new ATOM 1209 N LYS A 83 7.219 -8.215 -3.993 1.00 0.00 N ATOM 1210 CA LYS A 83 8.008 -9.375 -3.614 1.00 0.00 C ATOM 1211 C LYS A 83 7.320 -10.643 -4.123 1.00 0.00 C ATOM 1212 O LYS A 83 7.405 -11.696 -3.492 1.00 0.00 O ATOM 1213 CB LYS A 83 8.266 -9.378 -2.106 1.00 0.00 C ATOM 1214 CG LYS A 83 9.722 -9.736 -1.800 1.00 0.00 C ATOM 1215 CD LYS A 83 10.319 -8.774 -0.771 1.00 0.00 C ATOM 1216 CE LYS A 83 11.466 -7.963 -1.378 1.00 0.00 C ATOM 1217 NZ LYS A 83 12.718 -8.753 -1.372 1.00 0.00 N ATOM 0 H LYS A 83 7.708 -7.540 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 83 8.992 -9.336 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.034 -8.397 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.602 -10.094 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.778 -10.757 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.309 -9.702 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.544 -8.099 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.682 -9.336 0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.215 -7.675 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.607 -7.042 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.487 -8.189 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.964 -9.006 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.584 -9.620 -1.931 1.00 0.00 H new ATOM 1231 N GLY A 84 6.653 -10.501 -5.259 1.00 0.00 N ATOM 1232 CA GLY A 84 5.950 -11.622 -5.860 1.00 0.00 C ATOM 1233 C GLY A 84 4.615 -11.874 -5.155 1.00 0.00 C ATOM 1234 O GLY A 84 3.850 -12.747 -5.561 1.00 0.00 O ATOM 0 H GLY A 84 6.584 -9.626 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.775 -11.422 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.570 -12.517 -5.804 1.00 0.00 H new ATOM 1238 N ARG A 85 4.377 -11.093 -4.112 1.00 0.00 N ATOM 1239 CA ARG A 85 3.148 -11.220 -3.347 1.00 0.00 C ATOM 1240 C ARG A 85 2.068 -10.301 -3.922 1.00 0.00 C ATOM 1241 O ARG A 85 2.352 -9.167 -4.304 1.00 0.00 O ATOM 1242 CB ARG A 85 3.376 -10.869 -1.876 1.00 0.00 C ATOM 1243 CG ARG A 85 3.157 -12.090 -0.980 1.00 0.00 C ATOM 1244 CD ARG A 85 1.671 -12.285 -0.673 1.00 0.00 C ATOM 1245 NE ARG A 85 1.084 -13.265 -1.614 1.00 0.00 N ATOM 1246 CZ ARG A 85 1.481 -14.541 -1.715 1.00 0.00 C ATOM 1247 NH1 ARG A 85 2.468 -14.999 -0.933 1.00 0.00 N ATOM 1248 NH2 ARG A 85 0.891 -15.359 -2.597 1.00 0.00 N ATOM 0 H ARG A 85 5.014 -10.370 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 85 2.821 -12.258 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.390 -10.492 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.697 -10.070 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.551 -12.980 -1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.711 -11.967 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.546 -12.633 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.147 -11.333 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 85 0.330 -12.949 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.917 -14.377 -0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.770 -15.970 -1.010 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.139 -15.011 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.194 -16.330 -2.673 1.00 0.00 H new ATOM 1262 N ALA A 86 0.852 -10.826 -3.965 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.272 -10.067 -4.487 1.00 0.00 C ATOM 1264 C ALA A 86 -0.757 -9.084 -3.420 1.00 0.00 C ATOM 1265 O ALA A 86 -1.133 -9.490 -2.321 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.373 -11.029 -4.937 1.00 0.00 C ATOM 0 H ALA A 86 0.621 -11.767 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 86 0.029 -9.486 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.216 -10.460 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.986 -11.686 -5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.703 -11.628 -4.088 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.734 -7.809 -3.781 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.167 -6.765 -2.868 1.00 0.00 C ATOM 1274 C VAL A 87 -2.560 -6.281 -3.277 1.00 0.00 C ATOM 1275 O VAL A 87 -3.040 -6.606 -4.362 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.131 -5.640 -2.830 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.022 -4.989 -4.207 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.490 -4.599 -1.768 1.00 0.00 C ATOM 0 H VAL A 87 -0.422 -7.476 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.243 -7.153 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 87 0.829 -6.078 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.764 -4.193 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.346 -5.738 -4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.935 -4.572 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.263 -3.811 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.465 -4.168 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.524 -5.075 -0.788 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.169 -5.513 -2.386 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.497 -4.981 -2.641 1.00 0.00 C ATOM 1290 C LYS A 88 -4.640 -3.624 -1.949 1.00 0.00 C ATOM 1291 O LYS A 88 -4.762 -3.556 -0.727 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.568 -5.995 -2.232 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.971 -5.455 -2.516 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.707 -6.343 -3.522 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.002 -5.679 -3.993 1.00 0.00 C ATOM 1296 NZ LYS A 88 -8.703 -4.501 -4.838 1.00 0.00 N ATOM 0 H LYS A 88 -2.768 -5.246 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.641 -4.812 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.417 -6.928 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.471 -6.224 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.539 -5.403 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.902 -4.439 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.062 -6.540 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.933 -7.306 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.601 -6.395 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.596 -5.374 -3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.542 -4.257 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.447 -3.695 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.910 -4.722 -5.474 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.620 -2.577 -2.761 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.746 -1.225 -2.242 1.00 0.00 C ATOM 1312 C ILE A 89 -6.163 -0.713 -2.505 1.00 0.00 C ATOM 1313 O ILE A 89 -6.624 -0.707 -3.645 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.650 -0.326 -2.819 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.260 -0.862 -2.468 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.836 1.123 -2.367 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.721 -1.759 -3.583 1.00 0.00 C ATOM 0 H ILE A 89 -4.518 -2.637 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.599 -1.216 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.735 -0.338 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.576 -0.029 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.308 -1.424 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.044 1.741 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.804 1.489 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.792 1.173 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.732 -2.126 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.395 -2.604 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.651 -1.187 -4.508 1.00 0.00 H new ATOM 1329 N SER A 90 -6.815 -0.294 -1.430 1.00 0.00 N ATOM 1330 CA SER A 90 -8.171 0.220 -1.530 1.00 0.00 C ATOM 1331 C SER A 90 -8.316 1.482 -0.678 1.00 0.00 C ATOM 1332 O SER A 90 -7.340 1.966 -0.108 1.00 0.00 O ATOM 1333 CB SER A 90 -9.192 -0.834 -1.097 1.00 0.00 C ATOM 1334 OG SER A 90 -10.297 -0.906 -1.993 1.00 0.00 O ATOM 0 H SER A 90 -6.430 -0.300 -0.486 1.00 0.00 H new ATOM 0 HA SER A 90 -8.367 0.469 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.706 -1.808 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.552 -0.600 -0.095 1.00 0.00 H new ATOM 0 HG SER A 90 -10.925 -1.591 -1.683 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.543 1.979 -0.619 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.829 3.176 0.154 1.00 0.00 C ATOM 1342 C GLY A 91 -10.236 2.820 1.585 1.00 0.00 C ATOM 1343 O GLY A 91 -9.952 1.722 2.060 1.00 0.00 O ATOM 0 H GLY A 91 -10.350 1.575 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.950 3.820 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.629 3.741 -0.326 1.00 0.00 H new