USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 437 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 30 THR OG1 : rot 79:sc= 0.0899 USER MOD Set 1.2: A 31 ASN : amide:sc= 0.0919 X(o=0.18,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.108 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 151:sc= -3.22 (180deg=-5.73!) USER MOD Single : A 19 LYS NZ :NH3+ -151:sc= -0.181 (180deg=-1.18) USER MOD Single : A 20 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.963) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.1) USER MOD Single : A 29 SER OG : rot -80:sc= 0.794 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.027) USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= 0.975 (180deg=-0.145) USER MOD Single : A 40 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1) USER MOD Single : A 43 GLN : amide:sc= -0.908 K(o=-0.91,f=-4.1!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= -1.38 (180deg=-1.68) USER MOD Single : A 53 LYS NZ :NH3+ -129:sc= -0.46 (180deg=-2.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 167:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.793 0.126 0.194 1.00 0.00 N ATOM 2 CA MET A 1 2.297 0.237 -1.170 1.00 0.00 C ATOM 3 C MET A 1 2.417 -1.138 -1.819 1.00 0.00 C ATOM 4 O MET A 1 2.184 -2.161 -1.176 1.00 0.00 O ATOM 5 CB MET A 1 3.657 0.938 -1.178 1.00 0.00 C ATOM 6 CG MET A 1 3.904 1.770 -2.426 1.00 0.00 C ATOM 7 SD MET A 1 5.096 3.095 -2.152 1.00 0.00 S ATOM 8 CE MET A 1 6.175 2.877 -3.565 1.00 0.00 C ATOM 0 H1 MET A 1 0.928 0.695 0.292 1.00 0.00 H new ATOM 0 H2 MET A 1 1.578 -0.870 0.405 1.00 0.00 H new ATOM 0 H3 MET A 1 2.513 0.473 0.859 1.00 0.00 H new ATOM 0 HA MET A 1 1.587 0.830 -1.746 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.730 1.582 -0.302 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.443 0.189 -1.089 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.264 1.122 -3.225 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.961 2.199 -2.765 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.967 3.626 -3.537 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.616 1.881 -3.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.599 2.992 -4.483 1.00 0.00 H new ATOM 18 N GLY A 2 2.782 -1.155 -3.097 1.00 0.00 N ATOM 19 CA GLY A 2 2.926 -2.410 -3.811 1.00 0.00 C ATOM 20 C GLY A 2 1.592 -2.990 -4.239 1.00 0.00 C ATOM 21 O GLY A 2 1.332 -4.176 -4.042 1.00 0.00 O ATOM 0 H GLY A 2 2.981 -0.322 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.550 -2.254 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.444 -3.128 -3.176 1.00 0.00 H new ATOM 25 N ALA A 3 0.744 -2.150 -4.823 1.00 0.00 N ATOM 26 CA ALA A 3 -0.570 -2.587 -5.280 1.00 0.00 C ATOM 27 C ALA A 3 -0.518 -3.062 -6.728 1.00 0.00 C ATOM 28 O ALA A 3 0.401 -2.739 -7.480 1.00 0.00 O ATOM 29 CB ALA A 3 -1.582 -1.461 -5.128 1.00 0.00 C ATOM 0 H ALA A 3 0.943 -1.164 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.882 -3.428 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.559 -1.801 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.648 -1.170 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.265 -0.604 -5.723 1.00 0.00 H new ATOM 35 N PRO A 4 -1.528 -3.849 -7.129 1.00 0.00 N ATOM 36 CA PRO A 4 -1.620 -4.385 -8.490 1.00 0.00 C ATOM 37 C PRO A 4 -1.923 -3.303 -9.521 1.00 0.00 C ATOM 38 O PRO A 4 -2.284 -2.176 -9.185 1.00 0.00 O ATOM 39 CB PRO A 4 -2.780 -5.380 -8.402 1.00 0.00 C ATOM 40 CG PRO A 4 -3.615 -4.888 -7.270 1.00 0.00 C ATOM 41 CD PRO A 4 -2.658 -4.274 -6.286 1.00 0.00 C ATOM 0 HA PRO A 4 -0.681 -4.832 -8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.349 -5.408 -9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.420 -6.392 -8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.345 -4.155 -7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.174 -5.705 -6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.107 -3.431 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.346 -4.992 -5.528 1.00 0.00 H new ATOM 49 N PRO A 5 -1.773 -3.652 -10.808 1.00 0.00 N ATOM 50 CA PRO A 5 -2.027 -2.724 -11.914 1.00 0.00 C ATOM 51 C PRO A 5 -3.509 -2.402 -12.072 1.00 0.00 C ATOM 52 O PRO A 5 -4.365 -3.275 -11.919 1.00 0.00 O ATOM 53 CB PRO A 5 -1.512 -3.484 -13.139 1.00 0.00 C ATOM 54 CG PRO A 5 -1.607 -4.922 -12.761 1.00 0.00 C ATOM 55 CD PRO A 5 -1.346 -4.979 -11.281 1.00 0.00 C ATOM 0 HA PRO A 5 -1.542 -1.761 -11.757 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.113 -3.266 -14.022 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.486 -3.204 -13.376 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.592 -5.324 -12.999 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.878 -5.519 -13.309 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.914 -5.778 -10.803 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.294 -5.163 -11.065 1.00 0.00 H new ATOM 63 N LEU A 6 -3.807 -1.144 -12.378 1.00 0.00 N ATOM 64 CA LEU A 6 -5.186 -0.706 -12.557 1.00 0.00 C ATOM 65 C LEU A 6 -5.826 -1.399 -13.756 1.00 0.00 C ATOM 66 O LEU A 6 -5.145 -1.922 -14.638 1.00 0.00 O ATOM 67 CB LEU A 6 -5.241 0.811 -12.742 1.00 0.00 C ATOM 68 CG LEU A 6 -5.342 1.641 -11.462 1.00 0.00 C ATOM 69 CD1 LEU A 6 -4.261 2.709 -11.430 1.00 0.00 C ATOM 70 CD2 LEU A 6 -6.722 2.272 -11.343 1.00 0.00 C ATOM 0 H LEU A 6 -3.111 -0.409 -12.507 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.746 -0.977 -11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.348 1.123 -13.284 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.097 1.049 -13.374 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.193 0.978 -10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.350 3.289 -10.511 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.280 2.235 -11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.377 3.370 -12.289 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.776 2.859 -10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.901 2.921 -12.200 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.479 1.488 -11.317 1.00 0.00 H new ATOM 190 N GLU A 15 -13.866 10.065 -8.840 1.00 0.00 N ATOM 191 CA GLU A 15 -13.403 9.100 -7.850 1.00 0.00 C ATOM 192 C GLU A 15 -13.267 9.752 -6.477 1.00 0.00 C ATOM 193 O GLU A 15 -13.641 10.910 -6.287 1.00 0.00 O ATOM 194 CB GLU A 15 -12.061 8.501 -8.277 1.00 0.00 C ATOM 195 CG GLU A 15 -12.014 8.094 -9.740 1.00 0.00 C ATOM 196 CD GLU A 15 -10.768 7.302 -10.086 1.00 0.00 C ATOM 197 OE1 GLU A 15 -10.327 6.492 -9.244 1.00 0.00 O ATOM 198 OE2 GLU A 15 -10.235 7.492 -11.199 1.00 0.00 O ATOM 0 HA GLU A 15 -14.144 8.303 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.271 9.227 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.849 7.629 -7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.896 7.498 -9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.057 8.987 -10.363 1.00 0.00 H new ATOM 205 N VAL A 16 -12.730 9.000 -5.521 1.00 0.00 N ATOM 206 CA VAL A 16 -12.544 9.503 -4.166 1.00 0.00 C ATOM 207 C VAL A 16 -11.203 9.059 -3.593 1.00 0.00 C ATOM 208 O VAL A 16 -10.810 7.899 -3.729 1.00 0.00 O ATOM 209 CB VAL A 16 -13.672 9.028 -3.231 1.00 0.00 C ATOM 210 CG1 VAL A 16 -14.975 9.739 -3.561 1.00 0.00 C ATOM 211 CG2 VAL A 16 -13.840 7.519 -3.324 1.00 0.00 C ATOM 0 H VAL A 16 -12.416 8.040 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.567 10.591 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.400 9.278 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.760 9.390 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.844 10.814 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.256 9.523 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.641 7.200 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.090 7.243 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.910 7.031 -3.033 1.00 0.00 H new ATOM 221 N THR A 17 -10.502 9.988 -2.951 1.00 0.00 N ATOM 222 CA THR A 17 -9.204 9.693 -2.358 1.00 0.00 C ATOM 223 C THR A 17 -9.315 8.591 -1.311 1.00 0.00 C ATOM 224 O THR A 17 -10.248 8.578 -0.508 1.00 0.00 O ATOM 225 CB THR A 17 -8.586 10.945 -1.707 1.00 0.00 C ATOM 226 OG1 THR A 17 -8.694 12.063 -2.594 1.00 0.00 O ATOM 227 CG2 THR A 17 -7.125 10.707 -1.357 1.00 0.00 C ATOM 0 H THR A 17 -10.812 10.952 -2.828 1.00 0.00 H new ATOM 0 HA THR A 17 -8.556 9.356 -3.167 1.00 0.00 H new ATOM 0 HB THR A 17 -9.133 11.158 -0.789 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.300 12.855 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.710 11.605 -0.899 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.049 9.874 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.567 10.471 -2.263 1.00 0.00 H new ATOM 235 N MET A 18 -8.358 7.669 -1.324 1.00 0.00 N ATOM 236 CA MET A 18 -8.349 6.564 -0.373 1.00 0.00 C ATOM 237 C MET A 18 -6.933 6.279 0.116 1.00 0.00 C ATOM 238 O MET A 18 -6.022 6.060 -0.683 1.00 0.00 O ATOM 239 CB MET A 18 -8.943 5.307 -1.012 1.00 0.00 C ATOM 240 CG MET A 18 -8.366 4.993 -2.383 1.00 0.00 C ATOM 241 SD MET A 18 -8.275 3.221 -2.708 1.00 0.00 S ATOM 242 CE MET A 18 -7.027 2.724 -1.523 1.00 0.00 C ATOM 0 H MET A 18 -7.579 7.665 -1.982 1.00 0.00 H new ATOM 0 HA MET A 18 -8.960 6.850 0.483 1.00 0.00 H new ATOM 0 HB2 MET A 18 -8.771 4.457 -0.351 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.023 5.429 -1.100 1.00 0.00 H new ATOM 0 HG2 MET A 18 -8.979 5.468 -3.149 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.368 5.425 -2.461 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.203 1.691 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.040 2.806 -1.978 1.00 0.00 H new ATOM 0 HE3 MET A 18 -7.078 3.371 -0.648 1.00 0.00 H new ATOM 252 N LYS A 19 -6.754 6.284 1.433 1.00 0.00 N ATOM 253 CA LYS A 19 -5.449 6.025 2.029 1.00 0.00 C ATOM 254 C LYS A 19 -5.414 4.649 2.687 1.00 0.00 C ATOM 255 O LYS A 19 -6.419 4.181 3.224 1.00 0.00 O ATOM 256 CB LYS A 19 -5.113 7.104 3.060 1.00 0.00 C ATOM 257 CG LYS A 19 -3.632 7.430 3.139 1.00 0.00 C ATOM 258 CD LYS A 19 -3.192 8.314 1.984 1.00 0.00 C ATOM 259 CE LYS A 19 -3.334 9.789 2.326 1.00 0.00 C ATOM 260 NZ LYS A 19 -4.712 10.289 2.068 1.00 0.00 N ATOM 0 H LYS A 19 -7.497 6.465 2.108 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.704 6.047 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.664 8.012 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.457 6.777 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.419 7.931 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.054 6.506 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.154 8.096 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.789 8.085 1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.082 9.944 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.622 10.368 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.675 11.301 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.129 9.763 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.295 10.153 2.918 1.00 0.00 H new ATOM 274 N LYS A 20 -4.252 4.006 2.644 1.00 0.00 N ATOM 275 CA LYS A 20 -4.086 2.685 3.239 1.00 0.00 C ATOM 276 C LYS A 20 -4.564 2.676 4.687 1.00 0.00 C ATOM 277 O LYS A 20 -3.943 3.281 5.560 1.00 0.00 O ATOM 278 CB LYS A 20 -2.618 2.255 3.172 1.00 0.00 C ATOM 279 CG LYS A 20 -1.656 3.290 3.729 1.00 0.00 C ATOM 280 CD LYS A 20 -0.213 2.940 3.405 1.00 0.00 C ATOM 281 CE LYS A 20 0.386 2.015 4.453 1.00 0.00 C ATOM 282 NZ LYS A 20 0.064 0.587 4.181 1.00 0.00 N ATOM 0 H LYS A 20 -3.411 4.378 2.203 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.692 1.979 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.495 1.323 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.355 2.048 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.895 4.270 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.781 3.360 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.164 2.462 2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.379 3.853 3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.468 2.145 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.010 2.291 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.437 0.183 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.540 0.522 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.944 0.058 4.018 1.00 0.00 H new ATOM 296 N GLY A 21 -5.672 1.985 4.935 1.00 0.00 N ATOM 297 CA GLY A 21 -6.214 1.909 6.279 1.00 0.00 C ATOM 298 C GLY A 21 -7.338 2.901 6.508 1.00 0.00 C ATOM 299 O GLY A 21 -7.702 3.184 7.650 1.00 0.00 O ATOM 0 H GLY A 21 -6.204 1.476 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.582 0.899 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.418 2.094 7.000 1.00 0.00 H new ATOM 303 N ASP A 22 -7.887 3.431 5.422 1.00 0.00 N ATOM 304 CA ASP A 22 -8.976 4.398 5.509 1.00 0.00 C ATOM 305 C ASP A 22 -10.330 3.697 5.466 1.00 0.00 C ATOM 306 O ASP A 22 -10.463 2.619 4.885 1.00 0.00 O ATOM 307 CB ASP A 22 -8.877 5.414 4.370 1.00 0.00 C ATOM 308 CG ASP A 22 -7.858 6.501 4.650 1.00 0.00 C ATOM 309 OD1 ASP A 22 -7.065 6.340 5.602 1.00 0.00 O ATOM 310 OD2 ASP A 22 -7.853 7.512 3.917 1.00 0.00 O ATOM 0 H ASP A 22 -7.596 3.208 4.470 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.888 4.922 6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.609 4.897 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.854 5.869 4.207 1.00 0.00 H new ATOM 315 N ILE A 23 -11.330 4.314 6.085 1.00 0.00 N ATOM 316 CA ILE A 23 -12.673 3.749 6.117 1.00 0.00 C ATOM 317 C ILE A 23 -13.567 4.396 5.064 1.00 0.00 C ATOM 318 O ILE A 23 -13.771 5.611 5.069 1.00 0.00 O ATOM 319 CB ILE A 23 -13.324 3.921 7.502 1.00 0.00 C ATOM 320 CG1 ILE A 23 -12.471 3.244 8.578 1.00 0.00 C ATOM 321 CG2 ILE A 23 -14.734 3.351 7.500 1.00 0.00 C ATOM 322 CD1 ILE A 23 -12.758 3.741 9.977 1.00 0.00 C ATOM 0 H ILE A 23 -11.236 5.206 6.571 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.572 2.685 5.902 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.385 4.985 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.641 2.168 8.541 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.417 3.408 8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -15.180 3.480 8.486 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -15.337 3.874 6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.697 2.290 7.255 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.118 3.218 10.687 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.560 4.812 10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.803 3.552 10.223 1.00 0.00 H new ATOM 334 N LEU A 24 -14.099 3.577 4.164 1.00 0.00 N ATOM 335 CA LEU A 24 -14.974 4.069 3.105 1.00 0.00 C ATOM 336 C LEU A 24 -16.339 3.392 3.169 1.00 0.00 C ATOM 337 O LEU A 24 -16.436 2.178 3.353 1.00 0.00 O ATOM 338 CB LEU A 24 -14.336 3.827 1.736 1.00 0.00 C ATOM 339 CG LEU A 24 -12.973 4.482 1.505 1.00 0.00 C ATOM 340 CD1 LEU A 24 -11.852 3.539 1.914 1.00 0.00 C ATOM 341 CD2 LEU A 24 -12.821 4.896 0.049 1.00 0.00 C ATOM 0 H LEU A 24 -13.940 2.570 4.146 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.113 5.140 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.229 2.752 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.023 4.184 0.969 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.911 5.377 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.890 4.022 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.951 3.293 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.910 2.626 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.846 5.360 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.904 4.017 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.604 5.608 -0.210 1.00 0.00 H new ATOM 353 N THR A 25 -17.395 4.185 3.013 1.00 0.00 N ATOM 354 CA THR A 25 -18.755 3.664 3.052 1.00 0.00 C ATOM 355 C THR A 25 -19.141 3.035 1.719 1.00 0.00 C ATOM 356 O THR A 25 -19.247 3.723 0.703 1.00 0.00 O ATOM 357 CB THR A 25 -19.771 4.769 3.399 1.00 0.00 C ATOM 358 OG1 THR A 25 -19.305 5.528 4.520 1.00 0.00 O ATOM 359 CG2 THR A 25 -21.134 4.172 3.715 1.00 0.00 C ATOM 0 H THR A 25 -17.334 5.191 2.858 1.00 0.00 H new ATOM 0 HA THR A 25 -18.779 2.902 3.831 1.00 0.00 H new ATOM 0 HB THR A 25 -19.872 5.424 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 25 -19.955 6.229 4.733 1.00 0.00 H new ATOM 0 HG21 THR A 25 -21.834 4.972 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.499 3.620 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 25 -21.047 3.496 4.566 1.00 0.00 H new ATOM 367 N LEU A 26 -19.352 1.723 1.728 1.00 0.00 N ATOM 368 CA LEU A 26 -19.728 1.000 0.517 1.00 0.00 C ATOM 369 C LEU A 26 -21.121 1.410 0.049 1.00 0.00 C ATOM 370 O LEU A 26 -22.068 1.439 0.835 1.00 0.00 O ATOM 371 CB LEU A 26 -19.684 -0.508 0.766 1.00 0.00 C ATOM 372 CG LEU A 26 -19.343 -1.379 -0.443 1.00 0.00 C ATOM 373 CD1 LEU A 26 -20.369 -1.183 -1.549 1.00 0.00 C ATOM 374 CD2 LEU A 26 -17.943 -1.062 -0.950 1.00 0.00 C ATOM 0 H LEU A 26 -19.269 1.138 2.560 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.013 1.254 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -18.951 -0.705 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.654 -0.821 1.151 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.368 -2.424 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.110 -1.811 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -21.357 -1.460 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.376 -0.138 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.717 -1.691 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -17.891 -0.013 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.218 -1.254 -0.159 1.00 0.00 H new ATOM 386 N LEU A 27 -21.238 1.723 -1.236 1.00 0.00 N ATOM 387 CA LEU A 27 -22.516 2.129 -1.811 1.00 0.00 C ATOM 388 C LEU A 27 -22.931 1.187 -2.937 1.00 0.00 C ATOM 389 O LEU A 27 -24.066 0.713 -2.976 1.00 0.00 O ATOM 390 CB LEU A 27 -22.429 3.563 -2.337 1.00 0.00 C ATOM 391 CG LEU A 27 -22.361 4.663 -1.278 1.00 0.00 C ATOM 392 CD1 LEU A 27 -22.139 6.019 -1.930 1.00 0.00 C ATOM 393 CD2 LEU A 27 -23.630 4.675 -0.438 1.00 0.00 C ATOM 0 H LEU A 27 -20.464 1.704 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.270 2.082 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.547 3.643 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -23.296 3.750 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 27 -21.516 4.456 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -22.093 6.790 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.202 6.006 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -22.962 6.235 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -23.563 5.465 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -24.491 4.857 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.746 3.712 0.060 1.00 0.00 H new ATOM 405 N ASN A 28 -22.002 0.917 -3.848 1.00 0.00 N ATOM 406 CA ASN A 28 -22.271 0.030 -4.974 1.00 0.00 C ATOM 407 C ASN A 28 -21.042 -0.809 -5.310 1.00 0.00 C ATOM 408 O ASN A 28 -19.916 -0.311 -5.304 1.00 0.00 O ATOM 409 CB ASN A 28 -22.699 0.841 -6.199 1.00 0.00 C ATOM 410 CG ASN A 28 -24.203 0.849 -6.390 1.00 0.00 C ATOM 411 OD1 ASN A 28 -24.818 1.907 -6.520 1.00 0.00 O ATOM 412 ND2 ASN A 28 -24.804 -0.336 -6.407 1.00 0.00 N ATOM 0 H ASN A 28 -21.057 1.299 -3.829 1.00 0.00 H new ATOM 0 HA ASN A 28 -23.082 -0.641 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -22.343 1.866 -6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -22.225 0.428 -7.089 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -25.815 -0.393 -6.532 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -24.255 -1.188 -6.296 1.00 0.00 H new ATOM 419 N SER A 29 -21.266 -2.086 -5.603 1.00 0.00 N ATOM 420 CA SER A 29 -20.178 -2.996 -5.939 1.00 0.00 C ATOM 421 C SER A 29 -20.500 -3.786 -7.204 1.00 0.00 C ATOM 422 O SER A 29 -20.141 -4.957 -7.329 1.00 0.00 O ATOM 423 CB SER A 29 -19.911 -3.957 -4.779 1.00 0.00 C ATOM 424 OG SER A 29 -19.223 -3.306 -3.725 1.00 0.00 O ATOM 0 H SER A 29 -22.192 -2.514 -5.614 1.00 0.00 H new ATOM 0 HA SER A 29 -19.284 -2.400 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 29 -20.855 -4.356 -4.409 1.00 0.00 H new ATOM 0 HB3 SER A 29 -19.323 -4.804 -5.132 1.00 0.00 H new ATOM 0 HG SER A 29 -18.268 -3.259 -3.938 1.00 0.00 H new ATOM 430 N THR A 30 -21.181 -3.135 -8.143 1.00 0.00 N ATOM 431 CA THR A 30 -21.554 -3.775 -9.398 1.00 0.00 C ATOM 432 C THR A 30 -20.322 -4.239 -10.166 1.00 0.00 C ATOM 433 O THR A 30 -20.364 -5.241 -10.879 1.00 0.00 O ATOM 434 CB THR A 30 -22.374 -2.824 -10.291 1.00 0.00 C ATOM 435 OG1 THR A 30 -21.614 -1.645 -10.578 1.00 0.00 O ATOM 436 CG2 THR A 30 -23.681 -2.440 -9.615 1.00 0.00 C ATOM 0 H THR A 30 -21.485 -2.165 -8.057 1.00 0.00 H new ATOM 0 HA THR A 30 -22.166 -4.640 -9.142 1.00 0.00 H new ATOM 0 HB THR A 30 -22.604 -3.342 -11.222 1.00 0.00 H new ATOM 0 HG1 THR A 30 -20.969 -1.837 -11.291 1.00 0.00 H new ATOM 0 HG21 THR A 30 -24.243 -1.768 -10.264 1.00 0.00 H new ATOM 0 HG22 THR A 30 -24.270 -3.337 -9.425 1.00 0.00 H new ATOM 0 HG23 THR A 30 -23.469 -1.939 -8.671 1.00 0.00 H new ATOM 444 N ASN A 31 -19.225 -3.503 -10.016 1.00 0.00 N ATOM 445 CA ASN A 31 -17.980 -3.840 -10.696 1.00 0.00 C ATOM 446 C ASN A 31 -16.882 -4.170 -9.689 1.00 0.00 C ATOM 447 O ASN A 31 -16.377 -3.289 -8.993 1.00 0.00 O ATOM 448 CB ASN A 31 -17.534 -2.683 -11.592 1.00 0.00 C ATOM 449 CG ASN A 31 -18.360 -2.582 -12.860 1.00 0.00 C ATOM 450 OD1 ASN A 31 -19.404 -1.931 -12.884 1.00 0.00 O ATOM 451 ND2 ASN A 31 -17.893 -3.229 -13.922 1.00 0.00 N ATOM 0 H ASN A 31 -19.173 -2.670 -9.430 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.159 -4.720 -11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.609 -1.748 -11.037 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.484 -2.814 -11.855 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.405 -3.198 -14.804 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.022 -3.756 -13.856 1.00 0.00 H new ATOM 458 N LYS A 32 -16.517 -5.446 -9.618 1.00 0.00 N ATOM 459 CA LYS A 32 -15.477 -5.894 -8.698 1.00 0.00 C ATOM 460 C LYS A 32 -14.215 -5.051 -8.851 1.00 0.00 C ATOM 461 O LYS A 32 -13.448 -4.888 -7.903 1.00 0.00 O ATOM 462 CB LYS A 32 -15.152 -7.369 -8.944 1.00 0.00 C ATOM 463 CG LYS A 32 -14.736 -7.670 -10.374 1.00 0.00 C ATOM 464 CD LYS A 32 -15.047 -9.108 -10.754 1.00 0.00 C ATOM 465 CE LYS A 32 -16.481 -9.258 -11.240 1.00 0.00 C ATOM 466 NZ LYS A 32 -16.651 -8.752 -12.629 1.00 0.00 N ATOM 0 H LYS A 32 -16.926 -6.188 -10.186 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.850 -5.775 -7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.351 -7.673 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -16.025 -7.971 -8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.253 -6.993 -11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.668 -7.485 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.361 -9.436 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.884 -9.757 -9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.771 -10.308 -11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.150 -8.716 -10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.603 -8.993 -12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.531 -7.719 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.938 -9.189 -13.247 1.00 0.00 H new ATOM 480 N ASP A 33 -14.007 -4.518 -10.050 1.00 0.00 N ATOM 481 CA ASP A 33 -12.840 -3.689 -10.326 1.00 0.00 C ATOM 482 C ASP A 33 -12.996 -2.305 -9.704 1.00 0.00 C ATOM 483 O ASP A 33 -12.106 -1.826 -9.002 1.00 0.00 O ATOM 484 CB ASP A 33 -12.623 -3.563 -11.835 1.00 0.00 C ATOM 485 CG ASP A 33 -12.191 -4.870 -12.470 1.00 0.00 C ATOM 486 OD1 ASP A 33 -11.176 -5.441 -12.020 1.00 0.00 O ATOM 487 OD2 ASP A 33 -12.869 -5.322 -13.416 1.00 0.00 O ATOM 0 H ASP A 33 -14.632 -4.645 -10.846 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.970 -4.171 -9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.546 -3.222 -12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.867 -2.802 -12.028 1.00 0.00 H new ATOM 492 N TRP A 34 -14.131 -1.669 -9.968 1.00 0.00 N ATOM 493 CA TRP A 34 -14.403 -0.339 -9.435 1.00 0.00 C ATOM 494 C TRP A 34 -15.568 -0.374 -8.452 1.00 0.00 C ATOM 495 O TRP A 34 -16.690 -0.724 -8.818 1.00 0.00 O ATOM 496 CB TRP A 34 -14.709 0.637 -10.572 1.00 0.00 C ATOM 497 CG TRP A 34 -13.552 0.845 -11.503 1.00 0.00 C ATOM 498 CD1 TRP A 34 -13.371 0.267 -12.727 1.00 0.00 C ATOM 499 CD2 TRP A 34 -12.417 1.689 -11.284 1.00 0.00 C ATOM 500 NE1 TRP A 34 -12.191 0.701 -13.281 1.00 0.00 N ATOM 501 CE2 TRP A 34 -11.587 1.575 -12.416 1.00 0.00 C ATOM 502 CE3 TRP A 34 -12.021 2.532 -10.242 1.00 0.00 C ATOM 503 CZ2 TRP A 34 -10.387 2.271 -12.533 1.00 0.00 C ATOM 504 CZ3 TRP A 34 -10.830 3.222 -10.359 1.00 0.00 C ATOM 505 CH2 TRP A 34 -10.024 3.089 -11.498 1.00 0.00 C ATOM 0 H TRP A 34 -14.878 -2.052 -10.548 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.514 0.000 -8.904 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.562 0.266 -11.141 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.002 1.597 -10.148 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.055 -0.429 -13.191 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.824 0.418 -14.190 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -12.635 2.642 -9.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.765 2.169 -13.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -10.514 3.875 -9.559 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.099 3.643 -11.560 1.00 0.00 H new ATOM 516 N TRP A 35 -15.295 -0.009 -7.204 1.00 0.00 N ATOM 517 CA TRP A 35 -16.322 0.000 -6.169 1.00 0.00 C ATOM 518 C TRP A 35 -16.704 1.428 -5.794 1.00 0.00 C ATOM 519 O TRP A 35 -15.842 2.252 -5.487 1.00 0.00 O ATOM 520 CB TRP A 35 -15.834 -0.752 -4.930 1.00 0.00 C ATOM 521 CG TRP A 35 -16.217 -2.201 -4.926 1.00 0.00 C ATOM 522 CD1 TRP A 35 -16.750 -2.911 -5.965 1.00 0.00 C ATOM 523 CD2 TRP A 35 -16.099 -3.116 -3.831 1.00 0.00 C ATOM 524 NE1 TRP A 35 -16.970 -4.212 -5.581 1.00 0.00 N ATOM 525 CE2 TRP A 35 -16.578 -4.364 -4.277 1.00 0.00 C ATOM 526 CE3 TRP A 35 -15.634 -3.003 -2.518 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.605 -5.487 -3.455 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -15.662 -4.119 -1.704 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.144 -5.348 -2.174 1.00 0.00 C ATOM 0 H TRP A 35 -14.372 0.284 -6.885 1.00 0.00 H new ATOM 0 HA TRP A 35 -17.205 -0.501 -6.565 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -14.749 -0.670 -4.868 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -16.241 -0.273 -4.039 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -16.966 -2.509 -6.944 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -17.362 -4.946 -6.171 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -15.260 -2.061 -2.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -16.977 -6.435 -3.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -15.306 -4.043 -0.687 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -16.152 -6.202 -1.513 1.00 0.00 H new ATOM 540 N LYS A 36 -18.001 1.716 -5.821 1.00 0.00 N ATOM 541 CA LYS A 36 -18.497 3.045 -5.482 1.00 0.00 C ATOM 542 C LYS A 36 -18.691 3.185 -3.976 1.00 0.00 C ATOM 543 O LYS A 36 -19.567 2.547 -3.390 1.00 0.00 O ATOM 544 CB LYS A 36 -19.818 3.317 -6.205 1.00 0.00 C ATOM 545 CG LYS A 36 -20.238 4.777 -6.174 1.00 0.00 C ATOM 546 CD LYS A 36 -21.751 4.922 -6.188 1.00 0.00 C ATOM 547 CE LYS A 36 -22.315 4.743 -7.589 1.00 0.00 C ATOM 548 NZ LYS A 36 -22.400 6.036 -8.322 1.00 0.00 N ATOM 0 H LYS A 36 -18.728 1.047 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.756 3.776 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -19.728 2.995 -7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -20.603 2.712 -5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.834 5.254 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.814 5.297 -7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -22.194 4.184 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -22.027 5.905 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.686 4.050 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -23.307 4.295 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.193 6.003 -8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.553 6.810 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.513 6.200 -8.840 1.00 0.00 H new ATOM 562 N VAL A 37 -17.871 4.026 -3.353 1.00 0.00 N ATOM 563 CA VAL A 37 -17.955 4.252 -1.916 1.00 0.00 C ATOM 564 C VAL A 37 -17.932 5.742 -1.592 1.00 0.00 C ATOM 565 O VAL A 37 -17.787 6.578 -2.483 1.00 0.00 O ATOM 566 CB VAL A 37 -16.800 3.558 -1.170 1.00 0.00 C ATOM 567 CG1 VAL A 37 -16.832 2.057 -1.414 1.00 0.00 C ATOM 568 CG2 VAL A 37 -15.462 4.147 -1.594 1.00 0.00 C ATOM 0 H VAL A 37 -17.141 4.562 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 37 -18.901 3.825 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.925 3.731 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -16.009 1.584 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -17.778 1.650 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -16.732 1.860 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.657 3.645 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.326 4.006 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.444 5.212 -1.363 1.00 0.00 H new ATOM 578 N GLU A 38 -18.076 6.066 -0.310 1.00 0.00 N ATOM 579 CA GLU A 38 -18.072 7.455 0.131 1.00 0.00 C ATOM 580 C GLU A 38 -17.017 7.681 1.209 1.00 0.00 C ATOM 581 O GLU A 38 -17.045 7.047 2.264 1.00 0.00 O ATOM 582 CB GLU A 38 -19.452 7.849 0.662 1.00 0.00 C ATOM 583 CG GLU A 38 -19.521 9.276 1.178 1.00 0.00 C ATOM 584 CD GLU A 38 -19.102 9.393 2.630 1.00 0.00 C ATOM 585 OE1 GLU A 38 -19.781 8.799 3.494 1.00 0.00 O ATOM 586 OE2 GLU A 38 -18.094 10.078 2.903 1.00 0.00 O ATOM 0 H GLU A 38 -18.197 5.385 0.440 1.00 0.00 H new ATOM 0 HA GLU A 38 -17.829 8.081 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -20.187 7.723 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -19.731 7.167 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.880 9.911 0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -20.539 9.650 1.066 1.00 0.00 H new ATOM 593 N VAL A 39 -16.085 8.589 0.937 1.00 0.00 N ATOM 594 CA VAL A 39 -15.020 8.900 1.883 1.00 0.00 C ATOM 595 C VAL A 39 -14.658 10.380 1.836 1.00 0.00 C ATOM 596 O VAL A 39 -14.722 11.012 0.783 1.00 0.00 O ATOM 597 CB VAL A 39 -13.757 8.065 1.600 1.00 0.00 C ATOM 598 CG1 VAL A 39 -13.234 8.345 0.200 1.00 0.00 C ATOM 599 CG2 VAL A 39 -12.687 8.348 2.644 1.00 0.00 C ATOM 0 H VAL A 39 -16.046 9.122 0.068 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.396 8.652 2.876 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.020 7.009 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.342 7.746 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.999 8.088 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.986 9.402 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.802 7.750 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.425 9.406 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.067 8.091 3.633 1.00 0.00 H new ATOM 609 N ASN A 40 -14.278 10.927 2.986 1.00 0.00 N ATOM 610 CA ASN A 40 -13.905 12.334 3.077 1.00 0.00 C ATOM 611 C ASN A 40 -15.019 13.228 2.540 1.00 0.00 C ATOM 612 O ASN A 40 -14.765 14.176 1.798 1.00 0.00 O ATOM 613 CB ASN A 40 -12.611 12.592 2.303 1.00 0.00 C ATOM 614 CG ASN A 40 -11.379 12.168 3.078 1.00 0.00 C ATOM 615 OD1 ASN A 40 -11.317 12.320 4.298 1.00 0.00 O ATOM 616 ND2 ASN A 40 -10.390 11.635 2.371 1.00 0.00 N ATOM 0 H ASN A 40 -14.220 10.417 3.868 1.00 0.00 H new ATOM 0 HA ASN A 40 -13.745 12.574 4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.644 12.054 1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.539 13.653 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.535 11.332 2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.485 11.528 1.361 1.00 0.00 H new ATOM 623 N ASP A 41 -16.254 12.918 2.921 1.00 0.00 N ATOM 624 CA ASP A 41 -17.407 13.693 2.480 1.00 0.00 C ATOM 625 C ASP A 41 -17.478 13.743 0.957 1.00 0.00 C ATOM 626 O ASP A 41 -18.055 14.666 0.383 1.00 0.00 O ATOM 627 CB ASP A 41 -17.341 15.113 3.046 1.00 0.00 C ATOM 628 CG ASP A 41 -16.933 15.135 4.506 1.00 0.00 C ATOM 629 OD1 ASP A 41 -17.781 14.815 5.365 1.00 0.00 O ATOM 630 OD2 ASP A 41 -15.764 15.472 4.790 1.00 0.00 O ATOM 0 H ASP A 41 -16.482 12.135 3.534 1.00 0.00 H new ATOM 0 HA ASP A 41 -18.307 13.203 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.631 15.700 2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -18.315 15.590 2.936 1.00 0.00 H new ATOM 635 N ARG A 42 -16.888 12.744 0.310 1.00 0.00 N ATOM 636 CA ARG A 42 -16.882 12.675 -1.147 1.00 0.00 C ATOM 637 C ARG A 42 -17.194 11.260 -1.625 1.00 0.00 C ATOM 638 O ARG A 42 -16.598 10.291 -1.155 1.00 0.00 O ATOM 639 CB ARG A 42 -15.526 13.123 -1.695 1.00 0.00 C ATOM 640 CG ARG A 42 -15.569 13.551 -3.152 1.00 0.00 C ATOM 641 CD ARG A 42 -16.193 14.930 -3.309 1.00 0.00 C ATOM 642 NE ARG A 42 -16.086 15.426 -4.679 1.00 0.00 N ATOM 643 CZ ARG A 42 -14.971 15.933 -5.192 1.00 0.00 C ATOM 644 NH1 ARG A 42 -13.873 16.011 -4.454 1.00 0.00 N ATOM 645 NH2 ARG A 42 -14.953 16.364 -6.447 1.00 0.00 N ATOM 0 H ARG A 42 -16.408 11.971 0.771 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.656 13.345 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.156 13.953 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.812 12.307 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.558 13.559 -3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.140 12.824 -3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.243 14.888 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.703 15.629 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.913 15.380 -5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.883 15.681 -3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.018 16.401 -4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.796 16.306 -7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.096 16.753 -6.840 1.00 0.00 H new ATOM 659 N GLN A 43 -18.131 11.150 -2.561 1.00 0.00 N ATOM 660 CA GLN A 43 -18.522 9.853 -3.102 1.00 0.00 C ATOM 661 C GLN A 43 -17.939 9.646 -4.496 1.00 0.00 C ATOM 662 O GLN A 43 -17.922 10.564 -5.315 1.00 0.00 O ATOM 663 CB GLN A 43 -20.046 9.736 -3.151 1.00 0.00 C ATOM 664 CG GLN A 43 -20.663 10.348 -4.398 1.00 0.00 C ATOM 665 CD GLN A 43 -20.324 11.817 -4.557 1.00 0.00 C ATOM 666 OE1 GLN A 43 -20.295 12.568 -3.581 1.00 0.00 O ATOM 667 NE2 GLN A 43 -20.067 12.236 -5.790 1.00 0.00 N ATOM 0 H GLN A 43 -18.633 11.943 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 43 -18.126 9.079 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -20.323 8.683 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -20.468 10.222 -2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -20.316 9.802 -5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -21.746 10.231 -4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -20.102 11.579 -6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -19.834 13.215 -5.958 1.00 0.00 H new ATOM 676 N GLY A 44 -17.460 8.434 -4.758 1.00 0.00 N ATOM 677 CA GLY A 44 -16.883 8.129 -6.054 1.00 0.00 C ATOM 678 C GLY A 44 -16.514 6.665 -6.194 1.00 0.00 C ATOM 679 O GLY A 44 -16.800 5.858 -5.310 1.00 0.00 O ATOM 0 H GLY A 44 -17.461 7.658 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.592 8.398 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.994 8.741 -6.206 1.00 0.00 H new ATOM 683 N PHE A 45 -15.878 6.321 -7.309 1.00 0.00 N ATOM 684 CA PHE A 45 -15.472 4.944 -7.563 1.00 0.00 C ATOM 685 C PHE A 45 -13.976 4.764 -7.320 1.00 0.00 C ATOM 686 O PHE A 45 -13.175 5.647 -7.626 1.00 0.00 O ATOM 687 CB PHE A 45 -15.818 4.544 -8.999 1.00 0.00 C ATOM 688 CG PHE A 45 -17.249 4.812 -9.367 1.00 0.00 C ATOM 689 CD1 PHE A 45 -17.648 6.073 -9.780 1.00 0.00 C ATOM 690 CD2 PHE A 45 -18.196 3.803 -9.301 1.00 0.00 C ATOM 691 CE1 PHE A 45 -18.964 6.322 -10.119 1.00 0.00 C ATOM 692 CE2 PHE A 45 -19.514 4.046 -9.639 1.00 0.00 C ATOM 693 CZ PHE A 45 -19.898 5.307 -10.049 1.00 0.00 C ATOM 0 H PHE A 45 -15.633 6.977 -8.051 1.00 0.00 H new ATOM 0 HA PHE A 45 -16.015 4.299 -6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -15.167 5.085 -9.685 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.609 3.482 -9.132 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -16.922 6.870 -9.838 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -17.901 2.814 -8.982 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.262 7.310 -10.439 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -20.242 3.251 -9.582 1.00 0.00 H new ATOM 0 HZ PHE A 45 -20.927 5.499 -10.315 1.00 0.00 H new ATOM 703 N VAL A 46 -13.607 3.613 -6.766 1.00 0.00 N ATOM 704 CA VAL A 46 -12.208 3.316 -6.481 1.00 0.00 C ATOM 705 C VAL A 46 -11.879 1.862 -6.802 1.00 0.00 C ATOM 706 O VAL A 46 -12.750 0.993 -6.826 1.00 0.00 O ATOM 707 CB VAL A 46 -11.864 3.595 -5.006 1.00 0.00 C ATOM 708 CG1 VAL A 46 -11.674 5.086 -4.774 1.00 0.00 C ATOM 709 CG2 VAL A 46 -12.946 3.039 -4.093 1.00 0.00 C ATOM 0 H VAL A 46 -14.257 2.871 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.610 3.970 -7.116 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.926 3.093 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.432 5.263 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.861 5.451 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.593 5.614 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.687 3.245 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.900 3.511 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.028 1.962 -4.240 1.00 0.00 H new ATOM 719 N PRO A 47 -10.590 1.590 -7.055 1.00 0.00 N ATOM 720 CA PRO A 47 -10.115 0.241 -7.379 1.00 0.00 C ATOM 721 C PRO A 47 -10.180 -0.699 -6.180 1.00 0.00 C ATOM 722 O PRO A 47 -9.431 -0.545 -5.217 1.00 0.00 O ATOM 723 CB PRO A 47 -8.661 0.469 -7.801 1.00 0.00 C ATOM 724 CG PRO A 47 -8.259 1.727 -7.111 1.00 0.00 C ATOM 725 CD PRO A 47 -9.497 2.577 -7.044 1.00 0.00 C ATOM 0 HA PRO A 47 -10.727 -0.234 -8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.027 -0.366 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.573 0.566 -8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.874 1.519 -6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.466 2.236 -7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.516 3.188 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.563 3.259 -7.892 1.00 0.00 H new ATOM 733 N ALA A 48 -11.081 -1.674 -6.248 1.00 0.00 N ATOM 734 CA ALA A 48 -11.242 -2.642 -5.169 1.00 0.00 C ATOM 735 C ALA A 48 -9.931 -3.365 -4.881 1.00 0.00 C ATOM 736 O ALA A 48 -9.721 -3.874 -3.780 1.00 0.00 O ATOM 737 CB ALA A 48 -12.334 -3.642 -5.516 1.00 0.00 C ATOM 0 H ALA A 48 -11.710 -1.815 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.534 -2.101 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.443 -4.358 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.276 -3.115 -5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.066 -4.171 -6.431 1.00 0.00 H new ATOM 743 N ALA A 49 -9.052 -3.407 -5.876 1.00 0.00 N ATOM 744 CA ALA A 49 -7.761 -4.067 -5.729 1.00 0.00 C ATOM 745 C ALA A 49 -6.860 -3.302 -4.766 1.00 0.00 C ATOM 746 O ALA A 49 -5.825 -3.809 -4.332 1.00 0.00 O ATOM 747 CB ALA A 49 -7.085 -4.214 -7.084 1.00 0.00 C ATOM 0 H ALA A 49 -9.211 -2.991 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.934 -5.059 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.122 -4.709 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.716 -4.811 -7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.932 -3.228 -7.523 1.00 0.00 H new ATOM 753 N TYR A 50 -7.259 -2.078 -4.436 1.00 0.00 N ATOM 754 CA TYR A 50 -6.485 -1.241 -3.526 1.00 0.00 C ATOM 755 C TYR A 50 -7.071 -1.281 -2.118 1.00 0.00 C ATOM 756 O TYR A 50 -6.380 -1.005 -1.137 1.00 0.00 O ATOM 757 CB TYR A 50 -6.447 0.201 -4.035 1.00 0.00 C ATOM 758 CG TYR A 50 -5.341 0.463 -5.031 1.00 0.00 C ATOM 759 CD1 TYR A 50 -5.089 -0.427 -6.069 1.00 0.00 C ATOM 760 CD2 TYR A 50 -4.546 1.598 -4.935 1.00 0.00 C ATOM 761 CE1 TYR A 50 -4.079 -0.192 -6.982 1.00 0.00 C ATOM 762 CE2 TYR A 50 -3.535 1.841 -5.844 1.00 0.00 C ATOM 763 CZ TYR A 50 -3.305 0.943 -6.865 1.00 0.00 C ATOM 764 OH TYR A 50 -2.297 1.182 -7.772 1.00 0.00 O ATOM 0 H TYR A 50 -8.113 -1.644 -4.785 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.468 -1.632 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.405 0.439 -4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.327 0.874 -3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.693 -1.317 -6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.722 2.303 -4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.897 -0.893 -7.783 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.928 2.730 -5.756 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.849 2.024 -7.548 1.00 0.00 H new ATOM 774 N VAL A 51 -8.351 -1.627 -2.026 1.00 0.00 N ATOM 775 CA VAL A 51 -9.032 -1.705 -0.739 1.00 0.00 C ATOM 776 C VAL A 51 -9.545 -3.115 -0.474 1.00 0.00 C ATOM 777 O VAL A 51 -9.260 -4.045 -1.229 1.00 0.00 O ATOM 778 CB VAL A 51 -10.213 -0.719 -0.668 1.00 0.00 C ATOM 779 CG1 VAL A 51 -9.747 0.696 -0.977 1.00 0.00 C ATOM 780 CG2 VAL A 51 -11.319 -1.144 -1.621 1.00 0.00 C ATOM 0 H VAL A 51 -8.938 -1.858 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.300 -1.438 0.023 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.613 -0.731 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.595 1.379 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.991 0.997 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.320 0.728 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.146 -0.436 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.934 -1.162 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.672 -2.139 -1.349 1.00 0.00 H new ATOM 790 N LYS A 52 -10.304 -3.269 0.606 1.00 0.00 N ATOM 791 CA LYS A 52 -10.860 -4.566 0.972 1.00 0.00 C ATOM 792 C LYS A 52 -12.096 -4.400 1.851 1.00 0.00 C ATOM 793 O LYS A 52 -12.106 -3.592 2.780 1.00 0.00 O ATOM 794 CB LYS A 52 -9.810 -5.406 1.704 1.00 0.00 C ATOM 795 CG LYS A 52 -9.568 -4.963 3.137 1.00 0.00 C ATOM 796 CD LYS A 52 -8.583 -5.879 3.844 1.00 0.00 C ATOM 797 CE LYS A 52 -8.580 -5.639 5.346 1.00 0.00 C ATOM 798 NZ LYS A 52 -7.591 -4.598 5.740 1.00 0.00 N ATOM 0 H LYS A 52 -10.548 -2.511 1.243 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.153 -5.079 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.126 -6.449 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.870 -5.358 1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.186 -3.942 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.513 -4.954 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.841 -6.918 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.582 -5.715 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.576 -5.333 5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.351 -6.571 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.735 -4.342 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.628 -4.969 5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.719 -3.755 5.145 1.00 0.00 H new ATOM 812 N LYS A 53 -13.137 -5.170 1.552 1.00 0.00 N ATOM 813 CA LYS A 53 -14.377 -5.111 2.316 1.00 0.00 C ATOM 814 C LYS A 53 -14.195 -5.728 3.699 1.00 0.00 C ATOM 815 O LYS A 53 -13.366 -6.619 3.888 1.00 0.00 O ATOM 816 CB LYS A 53 -15.497 -5.836 1.566 1.00 0.00 C ATOM 817 CG LYS A 53 -16.891 -5.394 1.978 1.00 0.00 C ATOM 818 CD LYS A 53 -17.958 -6.314 1.409 1.00 0.00 C ATOM 819 CE LYS A 53 -18.051 -7.613 2.195 1.00 0.00 C ATOM 820 NZ LYS A 53 -17.170 -8.670 1.626 1.00 0.00 N ATOM 0 H LYS A 53 -13.146 -5.843 0.785 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.649 -4.063 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.374 -5.669 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.400 -6.909 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.963 -5.381 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.067 -4.375 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -18.923 -5.808 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.731 -6.534 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.774 -7.430 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.083 -7.963 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.721 -9.540 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.785 -8.348 0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.388 -8.861 2.284 1.00 0.00 H new ATOM 941 N LEU A 62 -18.737 -1.858 6.045 1.00 0.00 N ATOM 942 CA LEU A 62 -17.835 -0.888 5.435 1.00 0.00 C ATOM 943 C LEU A 62 -16.621 -1.582 4.825 1.00 0.00 C ATOM 944 O LEU A 62 -16.457 -2.795 4.953 1.00 0.00 O ATOM 945 CB LEU A 62 -17.381 0.140 6.473 1.00 0.00 C ATOM 946 CG LEU A 62 -16.879 -0.425 7.802 1.00 0.00 C ATOM 947 CD1 LEU A 62 -15.849 0.505 8.423 1.00 0.00 C ATOM 948 CD2 LEU A 62 -18.041 -0.651 8.758 1.00 0.00 C ATOM 0 HA LEU A 62 -18.376 -0.376 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -16.586 0.743 6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -18.214 0.812 6.678 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.401 -1.385 7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.503 0.086 9.368 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.003 0.616 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.301 1.481 8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.665 -1.053 9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.548 0.296 8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.744 -1.358 8.316 1.00 0.00 H new ATOM 960 N VAL A 63 -15.770 -0.803 4.164 1.00 0.00 N ATOM 961 CA VAL A 63 -14.569 -1.342 3.537 1.00 0.00 C ATOM 962 C VAL A 63 -13.335 -0.539 3.934 1.00 0.00 C ATOM 963 O VAL A 63 -13.375 0.691 3.997 1.00 0.00 O ATOM 964 CB VAL A 63 -14.692 -1.349 2.002 1.00 0.00 C ATOM 965 CG1 VAL A 63 -15.983 -2.030 1.572 1.00 0.00 C ATOM 966 CG2 VAL A 63 -14.621 0.069 1.456 1.00 0.00 C ATOM 0 H VAL A 63 -15.890 0.203 4.049 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.461 -2.368 3.889 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.856 -1.915 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -16.052 -2.025 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -15.989 -3.059 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.834 -1.494 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.710 0.046 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -15.435 0.661 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.667 0.518 1.733 1.00 0.00 H new ATOM 976 N LEU A 64 -12.240 -1.241 4.200 1.00 0.00 N ATOM 977 CA LEU A 64 -10.992 -0.594 4.590 1.00 0.00 C ATOM 978 C LEU A 64 -9.980 -0.631 3.449 1.00 0.00 C ATOM 979 O LEU A 64 -9.838 -1.644 2.765 1.00 0.00 O ATOM 980 CB LEU A 64 -10.407 -1.275 5.828 1.00 0.00 C ATOM 981 CG LEU A 64 -9.636 -0.371 6.790 1.00 0.00 C ATOM 982 CD1 LEU A 64 -10.575 0.622 7.458 1.00 0.00 C ATOM 983 CD2 LEU A 64 -8.906 -1.202 7.835 1.00 0.00 C ATOM 0 H LEU A 64 -12.190 -2.259 4.153 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.209 0.448 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.222 -1.746 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.741 -2.073 5.499 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.896 0.188 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.008 1.257 8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.052 1.240 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.339 0.081 8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.363 -0.541 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.628 -1.788 8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.203 -1.873 7.341 1.00 0.00 H new ATOM 995 N ALA A 65 -9.277 0.479 3.252 1.00 0.00 N ATOM 996 CA ALA A 65 -8.275 0.573 2.198 1.00 0.00 C ATOM 997 C ALA A 65 -6.990 -0.145 2.597 1.00 0.00 C ATOM 998 O ALA A 65 -6.692 -0.294 3.783 1.00 0.00 O ATOM 999 CB ALA A 65 -7.987 2.030 1.870 1.00 0.00 C ATOM 0 H ALA A 65 -9.383 1.327 3.809 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.673 0.084 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.237 2.084 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.903 2.515 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.614 2.537 2.760 1.00 0.00 H new ATOM 1005 N LEU A 66 -6.233 -0.590 1.600 1.00 0.00 N ATOM 1006 CA LEU A 66 -4.979 -1.293 1.847 1.00 0.00 C ATOM 1007 C LEU A 66 -3.792 -0.492 1.322 1.00 0.00 C ATOM 1008 O LEU A 66 -2.758 -0.389 1.983 1.00 0.00 O ATOM 1009 CB LEU A 66 -5.008 -2.674 1.189 1.00 0.00 C ATOM 1010 CG LEU A 66 -6.012 -3.672 1.767 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -5.869 -5.026 1.089 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -5.827 -3.804 3.272 1.00 0.00 C ATOM 0 H LEU A 66 -6.466 -0.477 0.613 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.864 -1.412 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.224 -2.545 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.011 -3.109 1.260 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.018 -3.298 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.591 -5.723 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.053 -4.919 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.860 -5.407 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.550 -4.518 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.817 -4.155 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.981 -2.834 3.744 1.00 0.00 H new ATOM 1024 N TYR A 67 -3.949 0.075 0.131 1.00 0.00 N ATOM 1025 CA TYR A 67 -2.890 0.868 -0.483 1.00 0.00 C ATOM 1026 C TYR A 67 -3.277 2.342 -0.541 1.00 0.00 C ATOM 1027 O TYR A 67 -4.419 2.707 -0.262 1.00 0.00 O ATOM 1028 CB TYR A 67 -2.590 0.352 -1.892 1.00 0.00 C ATOM 1029 CG TYR A 67 -2.276 -1.126 -1.941 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.293 -2.073 -1.926 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -0.964 -1.576 -2.003 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -3.012 -3.424 -1.970 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -0.673 -2.926 -2.049 1.00 0.00 C ATOM 1034 CZ TYR A 67 -1.700 -3.846 -2.033 1.00 0.00 C ATOM 1035 OH TYR A 67 -1.414 -5.191 -2.077 1.00 0.00 O ATOM 0 H TYR A 67 -4.799 0.000 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.995 0.770 0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.447 0.554 -2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.747 0.908 -2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.321 -1.746 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.157 -0.858 -2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.815 -4.146 -1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.353 -3.259 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.443 -5.318 -2.120 1.00 0.00 H new ATOM 1045 N ASP A 68 -2.317 3.185 -0.905 1.00 0.00 N ATOM 1046 CA ASP A 68 -2.556 4.621 -1.002 1.00 0.00 C ATOM 1047 C ASP A 68 -2.890 5.021 -2.435 1.00 0.00 C ATOM 1048 O ASP A 68 -2.135 4.730 -3.364 1.00 0.00 O ATOM 1049 CB ASP A 68 -1.331 5.397 -0.514 1.00 0.00 C ATOM 1050 CG ASP A 68 -0.110 5.155 -1.380 1.00 0.00 C ATOM 1051 OD1 ASP A 68 0.611 4.168 -1.126 1.00 0.00 O ATOM 1052 OD2 ASP A 68 0.124 5.953 -2.312 1.00 0.00 O ATOM 0 H ASP A 68 -1.366 2.899 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.408 4.866 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.560 6.463 -0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.107 5.109 0.513 1.00 0.00 H new ATOM 1057 N TYR A 69 -4.025 5.688 -2.609 1.00 0.00 N ATOM 1058 CA TYR A 69 -4.461 6.125 -3.930 1.00 0.00 C ATOM 1059 C TYR A 69 -5.343 7.365 -3.830 1.00 0.00 C ATOM 1060 O TYR A 69 -6.067 7.547 -2.851 1.00 0.00 O ATOM 1061 CB TYR A 69 -5.220 5.001 -4.637 1.00 0.00 C ATOM 1062 CG TYR A 69 -5.851 5.425 -5.944 1.00 0.00 C ATOM 1063 CD1 TYR A 69 -5.075 5.625 -7.079 1.00 0.00 C ATOM 1064 CD2 TYR A 69 -7.222 5.625 -6.044 1.00 0.00 C ATOM 1065 CE1 TYR A 69 -5.647 6.014 -8.275 1.00 0.00 C ATOM 1066 CE2 TYR A 69 -7.803 6.012 -7.236 1.00 0.00 C ATOM 1067 CZ TYR A 69 -7.011 6.206 -8.349 1.00 0.00 C ATOM 1068 OH TYR A 69 -7.585 6.591 -9.539 1.00 0.00 O ATOM 0 H TYR A 69 -4.660 5.938 -1.851 1.00 0.00 H new ATOM 0 HA TYR A 69 -3.575 6.378 -4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -4.535 4.174 -4.825 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.998 4.626 -3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.007 5.474 -7.025 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.845 5.475 -5.174 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.029 6.167 -9.148 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.871 6.162 -7.296 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.557 6.482 -9.484 1.00 0.00 H new