USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 502 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 34 SER OG : rot -130:sc= 0.934 USER MOD Set 1.2: A 41 GLN : amide:sc= 1 K(o=1.9,f=-0.44!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0.794 K(o=1.8,f=-8.2!) USER MOD Set 2.2: A 62 TYR OH : rot 30:sc= 0.993 USER MOD Set 3.1: A 10 THR OG1 : rot 73:sc= 0.191 USER MOD Set 3.2: A 14 CYS SG : rot -110:sc= -0.358! USER MOD Set 4.1: A 7 THR OG1 : rot 59:sc= 1.26 USER MOD Set 4.2: A 65 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 1 MET CE :methyl -114:sc= 0 (180deg=-0.192) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0419 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 3 HIS : no HD1:sc= -0.0705 X(o=-0.07,f=0.0047) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -108:sc= -4.48! (180deg=-9.44!) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.143 USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= 1.25 (180deg=-1.42) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -120:sc= -1.86! USER MOD Single : A 48 THR OG1 : rot 78:sc= 0.978 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 80:sc= 0.908 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.679 -3.010 0.472 1.00 0.00 N ATOM 2 CA MET A 1 0.815 -3.449 -0.648 1.00 0.00 C ATOM 3 C MET A 1 0.132 -2.245 -1.285 1.00 0.00 C ATOM 4 O MET A 1 -0.002 -1.196 -0.653 1.00 0.00 O ATOM 5 CB MET A 1 -0.226 -4.469 -0.158 1.00 0.00 C ATOM 6 CG MET A 1 -1.579 -3.865 0.200 1.00 0.00 C ATOM 7 SD MET A 1 -2.152 -4.362 1.836 1.00 0.00 S ATOM 8 CE MET A 1 -2.887 -5.954 1.465 1.00 0.00 C ATOM 0 H1 MET A 1 2.677 -3.164 0.222 1.00 0.00 H new ATOM 0 H2 MET A 1 1.520 -1.999 0.657 1.00 0.00 H new ATOM 0 H3 MET A 1 1.448 -3.559 1.325 1.00 0.00 H new ATOM 0 HA MET A 1 1.436 -3.934 -1.401 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.371 -5.222 -0.932 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.171 -4.984 0.717 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.509 -2.778 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.315 -4.166 -0.545 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.963 -5.905 1.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.691 -6.212 0.424 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.454 -6.715 2.115 1.00 0.00 H new ATOM 20 N THR A 2 -0.285 -2.403 -2.532 1.00 0.00 N ATOM 21 CA THR A 2 -0.929 -1.335 -3.280 1.00 0.00 C ATOM 22 C THR A 2 -2.270 -0.940 -2.666 1.00 0.00 C ATOM 23 O THR A 2 -2.974 -1.770 -2.085 1.00 0.00 O ATOM 24 CB THR A 2 -1.156 -1.778 -4.731 1.00 0.00 C ATOM 25 OG1 THR A 2 -1.001 -3.201 -4.820 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.175 -1.091 -5.669 1.00 0.00 C ATOM 0 H THR A 2 -0.186 -3.274 -3.053 1.00 0.00 H new ATOM 0 HA THR A 2 -0.268 -0.469 -3.247 1.00 0.00 H new ATOM 0 HB THR A 2 -2.165 -1.496 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.736 -3.641 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.357 -1.422 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.309 -0.011 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.844 -1.347 -5.381 1.00 0.00 H new ATOM 34 N HIS A 3 -2.611 0.334 -2.780 1.00 0.00 N ATOM 35 CA HIS A 3 -3.909 0.814 -2.328 1.00 0.00 C ATOM 36 C HIS A 3 -4.731 1.281 -3.518 1.00 0.00 C ATOM 37 O HIS A 3 -4.184 1.739 -4.521 1.00 0.00 O ATOM 38 CB HIS A 3 -3.762 1.976 -1.346 1.00 0.00 C ATOM 39 CG HIS A 3 -3.333 1.593 0.037 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.772 2.252 1.165 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.487 0.633 0.473 1.00 0.00 C ATOM 42 CE1 HIS A 3 -3.212 1.714 2.231 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.425 0.728 1.842 1.00 0.00 N ATOM 0 H HIS A 3 -2.009 1.053 -3.181 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.409 -0.012 -1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.038 2.683 -1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.716 2.499 -1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.957 -0.079 -0.143 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.371 2.028 3.252 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.865 0.136 2.455 1.00 0.00 H new ATOM 52 N LEU A 4 -6.041 1.178 -3.397 1.00 0.00 N ATOM 53 CA LEU A 4 -6.948 1.641 -4.438 1.00 0.00 C ATOM 54 C LEU A 4 -8.194 2.236 -3.802 1.00 0.00 C ATOM 55 O LEU A 4 -8.519 1.924 -2.659 1.00 0.00 O ATOM 56 CB LEU A 4 -7.327 0.494 -5.379 1.00 0.00 C ATOM 57 CG LEU A 4 -7.253 0.831 -6.870 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.845 0.602 -7.401 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.265 0.006 -7.653 1.00 0.00 C ATOM 0 H LEU A 4 -6.506 0.775 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.444 2.408 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.669 -0.352 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.341 0.171 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.498 1.885 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.812 0.847 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.144 1.238 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.569 -0.443 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.199 0.258 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.052 -1.054 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.270 0.223 -7.290 1.00 0.00 H new ATOM 71 N LYS A 5 -8.885 3.091 -4.531 1.00 0.00 N ATOM 72 CA LYS A 5 -10.073 3.744 -4.002 1.00 0.00 C ATOM 73 C LYS A 5 -11.321 3.313 -4.764 1.00 0.00 C ATOM 74 O LYS A 5 -11.287 3.138 -5.983 1.00 0.00 O ATOM 75 CB LYS A 5 -9.913 5.262 -4.061 1.00 0.00 C ATOM 76 CG LYS A 5 -10.327 5.965 -2.779 1.00 0.00 C ATOM 77 CD LYS A 5 -11.808 6.299 -2.794 1.00 0.00 C ATOM 78 CE LYS A 5 -12.136 7.425 -1.832 1.00 0.00 C ATOM 79 NZ LYS A 5 -13.290 8.234 -2.303 1.00 0.00 N ATOM 0 H LYS A 5 -8.648 3.351 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.191 3.441 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.872 5.502 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.508 5.650 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.103 5.329 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.746 6.879 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.107 6.583 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.384 5.413 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.360 7.010 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.264 8.069 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.484 8.993 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.067 8.651 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.128 7.625 -2.390 1.00 0.00 H new ATOM 93 N ILE A 6 -12.417 3.155 -4.036 1.00 0.00 N ATOM 94 CA ILE A 6 -13.676 2.702 -4.610 1.00 0.00 C ATOM 95 C ILE A 6 -14.683 3.852 -4.664 1.00 0.00 C ATOM 96 O ILE A 6 -14.863 4.575 -3.683 1.00 0.00 O ATOM 97 CB ILE A 6 -14.261 1.530 -3.779 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.439 0.255 -3.997 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.727 1.283 -4.113 1.00 0.00 C ATOM 100 CD1 ILE A 6 -13.274 -0.129 -5.452 1.00 0.00 C ATOM 0 H ILE A 6 -12.459 3.337 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.482 2.353 -5.624 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.204 1.810 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.453 0.390 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.917 -0.568 -3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.103 0.455 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.306 2.181 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.823 1.036 -5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.681 -1.041 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -14.254 -0.298 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.767 0.675 -5.985 1.00 0.00 H new ATOM 112 N THR A 7 -15.320 4.030 -5.818 1.00 0.00 N ATOM 113 CA THR A 7 -16.334 5.060 -5.985 1.00 0.00 C ATOM 114 C THR A 7 -17.476 4.555 -6.867 1.00 0.00 C ATOM 115 O THR A 7 -17.323 3.564 -7.590 1.00 0.00 O ATOM 116 CB THR A 7 -15.732 6.331 -6.614 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.372 6.089 -7.001 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.788 7.498 -5.639 1.00 0.00 C ATOM 0 H THR A 7 -15.149 3.470 -6.653 1.00 0.00 H new ATOM 0 HA THR A 7 -16.721 5.302 -4.995 1.00 0.00 H new ATOM 0 HB THR A 7 -16.320 6.587 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.341 5.348 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.357 8.384 -6.106 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.825 7.698 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.222 7.250 -4.741 1.00 0.00 H new ATOM 126 N GLY A 8 -18.620 5.219 -6.788 1.00 0.00 N ATOM 127 CA GLY A 8 -19.745 4.870 -7.634 1.00 0.00 C ATOM 128 C GLY A 8 -20.691 3.881 -6.982 1.00 0.00 C ATOM 129 O GLY A 8 -21.909 4.030 -7.070 1.00 0.00 O ATOM 0 H GLY A 8 -18.790 5.997 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.295 5.776 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.373 4.448 -8.568 1.00 0.00 H new ATOM 133 N MET A 9 -20.134 2.873 -6.327 1.00 0.00 N ATOM 134 CA MET A 9 -20.937 1.814 -5.728 1.00 0.00 C ATOM 135 C MET A 9 -21.412 2.191 -4.333 1.00 0.00 C ATOM 136 O MET A 9 -20.954 3.181 -3.756 1.00 0.00 O ATOM 137 CB MET A 9 -20.143 0.520 -5.657 1.00 0.00 C ATOM 138 CG MET A 9 -19.658 0.043 -7.005 1.00 0.00 C ATOM 139 SD MET A 9 -18.304 -1.137 -6.867 1.00 0.00 S ATOM 140 CE MET A 9 -16.898 -0.056 -7.102 1.00 0.00 C ATOM 0 H MET A 9 -19.128 2.765 -6.196 1.00 0.00 H new ATOM 0 HA MET A 9 -21.811 1.673 -6.363 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.285 0.664 -5.000 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.763 -0.255 -5.207 1.00 0.00 H new ATOM 0 HG2 MET A 9 -20.486 -0.419 -7.544 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.332 0.899 -7.595 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.456 -0.242 -8.081 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.224 0.983 -7.042 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.157 -0.249 -6.326 1.00 0.00 H new ATOM 150 N THR A 10 -22.319 1.391 -3.794 1.00 0.00 N ATOM 151 CA THR A 10 -22.845 1.621 -2.466 1.00 0.00 C ATOM 152 C THR A 10 -21.929 1.032 -1.397 1.00 0.00 C ATOM 153 O THR A 10 -21.220 1.772 -0.710 1.00 0.00 O ATOM 154 CB THR A 10 -24.252 1.024 -2.333 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.693 0.537 -3.610 1.00 0.00 O ATOM 156 CG2 THR A 10 -25.228 2.066 -1.815 1.00 0.00 C ATOM 0 H THR A 10 -22.706 0.572 -4.263 1.00 0.00 H new ATOM 0 HA THR A 10 -22.899 2.699 -2.315 1.00 0.00 H new ATOM 0 HB THR A 10 -24.215 0.199 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.205 -0.283 -3.834 1.00 0.00 H new ATOM 0 HG21 THR A 10 -26.220 1.623 -1.728 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.900 2.417 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A 10 -25.265 2.906 -2.508 1.00 0.00 H new ATOM 164 N CYS A 11 -21.922 -0.296 -1.268 1.00 0.00 N ATOM 165 CA CYS A 11 -21.136 -0.946 -0.227 1.00 0.00 C ATOM 166 C CYS A 11 -21.159 -2.469 -0.351 1.00 0.00 C ATOM 167 O CYS A 11 -22.014 -3.036 -1.034 1.00 0.00 O ATOM 168 CB CYS A 11 -21.670 -0.547 1.149 1.00 0.00 C ATOM 169 SG CYS A 11 -23.350 -1.122 1.489 1.00 0.00 S ATOM 0 H CYS A 11 -22.447 -0.934 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 11 -20.104 -0.615 -0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -21.001 -0.942 1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -21.646 0.539 1.234 1.00 0.00 H new ATOM 0 HG CYS A 11 -23.709 -0.736 2.677 1.00 0.00 H new ATOM 175 N ASP A 12 -20.172 -3.097 0.293 1.00 0.00 N ATOM 176 CA ASP A 12 -20.125 -4.551 0.537 1.00 0.00 C ATOM 177 C ASP A 12 -20.295 -5.398 -0.716 1.00 0.00 C ATOM 178 O ASP A 12 -19.308 -5.789 -1.334 1.00 0.00 O ATOM 179 CB ASP A 12 -21.167 -4.955 1.581 1.00 0.00 C ATOM 180 CG ASP A 12 -20.771 -6.214 2.326 1.00 0.00 C ATOM 181 OD1 ASP A 12 -19.601 -6.634 2.213 1.00 0.00 O ATOM 182 OD2 ASP A 12 -21.628 -6.788 3.031 1.00 0.00 O ATOM 0 H ASP A 12 -19.363 -2.603 0.670 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.121 -4.752 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.301 -4.140 2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.128 -5.112 1.091 1.00 0.00 H new ATOM 187 N SER A 13 -21.537 -5.704 -1.068 1.00 0.00 N ATOM 188 CA SER A 13 -21.833 -6.516 -2.243 1.00 0.00 C ATOM 189 C SER A 13 -21.195 -5.909 -3.491 1.00 0.00 C ATOM 190 O SER A 13 -20.783 -6.618 -4.409 1.00 0.00 O ATOM 191 CB SER A 13 -23.347 -6.626 -2.411 1.00 0.00 C ATOM 192 OG SER A 13 -24.007 -6.214 -1.221 1.00 0.00 O ATOM 0 H SER A 13 -22.363 -5.399 -0.552 1.00 0.00 H new ATOM 0 HA SER A 13 -21.414 -7.513 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.673 -6.008 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.620 -7.654 -2.649 1.00 0.00 H new ATOM 0 HG SER A 13 -24.977 -6.288 -1.342 1.00 0.00 H new ATOM 198 N CYS A 14 -21.096 -4.589 -3.494 1.00 0.00 N ATOM 199 CA CYS A 14 -20.423 -3.869 -4.558 1.00 0.00 C ATOM 200 C CYS A 14 -18.932 -4.195 -4.565 1.00 0.00 C ATOM 201 O CYS A 14 -18.351 -4.485 -5.612 1.00 0.00 O ATOM 202 CB CYS A 14 -20.633 -2.371 -4.365 1.00 0.00 C ATOM 203 SG CYS A 14 -22.365 -1.892 -4.173 1.00 0.00 S ATOM 0 H CYS A 14 -21.479 -3.991 -2.762 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.843 -4.174 -5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.077 -2.047 -3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.213 -1.842 -5.220 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.754 -1.239 -5.228 1.00 0.00 H new ATOM 209 N ALA A 15 -18.328 -4.188 -3.380 1.00 0.00 N ATOM 210 CA ALA A 15 -16.902 -4.457 -3.247 1.00 0.00 C ATOM 211 C ALA A 15 -16.609 -5.928 -3.505 1.00 0.00 C ATOM 212 O ALA A 15 -15.489 -6.297 -3.856 1.00 0.00 O ATOM 213 CB ALA A 15 -16.416 -4.054 -1.864 1.00 0.00 C ATOM 0 H ALA A 15 -18.805 -3.999 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.368 -3.865 -3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.349 -4.261 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.593 -2.989 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.957 -4.623 -1.108 1.00 0.00 H new ATOM 219 N ALA A 16 -17.629 -6.762 -3.343 1.00 0.00 N ATOM 220 CA ALA A 16 -17.492 -8.193 -3.561 1.00 0.00 C ATOM 221 C ALA A 16 -17.283 -8.486 -5.041 1.00 0.00 C ATOM 222 O ALA A 16 -16.427 -9.294 -5.412 1.00 0.00 O ATOM 223 CB ALA A 16 -18.714 -8.933 -3.036 1.00 0.00 C ATOM 0 H ALA A 16 -18.564 -6.468 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.618 -8.545 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.593 -10.003 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.821 -8.747 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.604 -8.580 -3.556 1.00 0.00 H new ATOM 229 N HIS A 17 -18.062 -7.810 -5.880 1.00 0.00 N ATOM 230 CA HIS A 17 -17.947 -7.964 -7.326 1.00 0.00 C ATOM 231 C HIS A 17 -16.578 -7.502 -7.798 1.00 0.00 C ATOM 232 O HIS A 17 -15.936 -8.159 -8.624 1.00 0.00 O ATOM 233 CB HIS A 17 -19.046 -7.170 -8.043 1.00 0.00 C ATOM 234 CG HIS A 17 -19.542 -7.820 -9.299 1.00 0.00 C ATOM 235 ND1 HIS A 17 -20.121 -7.116 -10.332 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.542 -9.116 -9.687 1.00 0.00 C ATOM 237 CE1 HIS A 17 -20.461 -7.950 -11.295 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.117 -9.168 -10.931 1.00 0.00 N ATOM 0 H HIS A 17 -18.780 -7.150 -5.583 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.067 -9.020 -7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.885 -7.032 -7.361 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.665 -6.178 -8.285 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -20.264 -6.106 -10.349 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.160 -9.954 -9.122 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.940 -7.680 -12.224 1.00 0.00 H new ATOM 247 N VAL A 18 -16.136 -6.374 -7.255 1.00 0.00 N ATOM 248 CA VAL A 18 -14.823 -5.830 -7.568 1.00 0.00 C ATOM 249 C VAL A 18 -13.728 -6.787 -7.120 1.00 0.00 C ATOM 250 O VAL A 18 -12.823 -7.102 -7.888 1.00 0.00 O ATOM 251 CB VAL A 18 -14.605 -4.456 -6.898 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.200 -3.933 -7.161 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.644 -3.459 -7.382 1.00 0.00 C ATOM 0 H VAL A 18 -16.673 -5.816 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.775 -5.701 -8.649 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.719 -4.584 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.076 -2.964 -6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.469 -4.635 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.047 -3.824 -8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.476 -2.496 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.562 -3.343 -8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.641 -3.822 -7.131 1.00 0.00 H new ATOM 263 N LYS A 19 -13.831 -7.261 -5.882 1.00 0.00 N ATOM 264 CA LYS A 19 -12.835 -8.169 -5.323 1.00 0.00 C ATOM 265 C LYS A 19 -12.741 -9.436 -6.158 1.00 0.00 C ATOM 266 O LYS A 19 -11.650 -9.910 -6.466 1.00 0.00 O ATOM 267 CB LYS A 19 -13.184 -8.522 -3.873 1.00 0.00 C ATOM 268 CG LYS A 19 -12.212 -9.502 -3.228 1.00 0.00 C ATOM 269 CD LYS A 19 -12.881 -10.311 -2.128 1.00 0.00 C ATOM 270 CE LYS A 19 -12.865 -11.800 -2.438 1.00 0.00 C ATOM 271 NZ LYS A 19 -11.660 -12.476 -1.886 1.00 0.00 N ATOM 0 H LYS A 19 -14.595 -7.031 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.868 -7.666 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.208 -7.607 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.187 -8.947 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.817 -10.177 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.364 -8.956 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.371 -10.130 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.911 -9.976 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.761 -12.265 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.898 -11.945 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.182 -13.005 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.010 -11.764 -1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.945 -13.132 -1.132 1.00 0.00 H new ATOM 285 N GLU A 20 -13.892 -9.972 -6.530 1.00 0.00 N ATOM 286 CA GLU A 20 -13.945 -11.182 -7.332 1.00 0.00 C ATOM 287 C GLU A 20 -13.362 -10.945 -8.719 1.00 0.00 C ATOM 288 O GLU A 20 -12.623 -11.780 -9.244 1.00 0.00 O ATOM 289 CB GLU A 20 -15.389 -11.680 -7.427 1.00 0.00 C ATOM 290 CG GLU A 20 -15.549 -12.996 -8.167 1.00 0.00 C ATOM 291 CD GLU A 20 -16.693 -12.968 -9.159 1.00 0.00 C ATOM 292 OE1 GLU A 20 -17.596 -12.120 -9.009 1.00 0.00 O ATOM 293 OE2 GLU A 20 -16.702 -13.802 -10.090 1.00 0.00 O ATOM 0 H GLU A 20 -14.805 -9.586 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.340 -11.948 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.789 -11.792 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.991 -10.921 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.623 -13.229 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.717 -13.796 -7.446 1.00 0.00 H new ATOM 300 N ALA A 21 -13.673 -9.792 -9.297 1.00 0.00 N ATOM 301 CA ALA A 21 -13.174 -9.456 -10.621 1.00 0.00 C ATOM 302 C ALA A 21 -11.669 -9.277 -10.574 1.00 0.00 C ATOM 303 O ALA A 21 -10.954 -9.641 -11.507 1.00 0.00 O ATOM 304 CB ALA A 21 -13.845 -8.198 -11.146 1.00 0.00 C ATOM 0 H ALA A 21 -14.265 -9.079 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.411 -10.273 -11.302 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.457 -7.965 -12.138 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.922 -8.358 -11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.639 -7.367 -10.471 1.00 0.00 H new ATOM 310 N LEU A 22 -11.199 -8.713 -9.476 1.00 0.00 N ATOM 311 CA LEU A 22 -9.780 -8.510 -9.270 1.00 0.00 C ATOM 312 C LEU A 22 -9.071 -9.840 -9.088 1.00 0.00 C ATOM 313 O LEU A 22 -8.093 -10.133 -9.771 1.00 0.00 O ATOM 314 CB LEU A 22 -9.537 -7.609 -8.057 1.00 0.00 C ATOM 315 CG LEU A 22 -9.792 -6.118 -8.292 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.393 -5.310 -7.068 1.00 0.00 C ATOM 317 CD2 LEU A 22 -9.036 -5.635 -9.520 1.00 0.00 C ATOM 0 H LEU A 22 -11.786 -8.386 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.374 -8.019 -10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.175 -7.946 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.505 -7.738 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.858 -5.974 -8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.581 -4.252 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.978 -5.638 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.333 -5.459 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.229 -4.573 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.967 -5.792 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.369 -6.193 -10.395 1.00 0.00 H new ATOM 329 N GLU A 23 -9.590 -10.659 -8.182 1.00 0.00 N ATOM 330 CA GLU A 23 -8.935 -11.907 -7.825 1.00 0.00 C ATOM 331 C GLU A 23 -9.123 -12.961 -8.910 1.00 0.00 C ATOM 332 O GLU A 23 -8.473 -14.009 -8.890 1.00 0.00 O ATOM 333 CB GLU A 23 -9.445 -12.403 -6.475 1.00 0.00 C ATOM 334 CG GLU A 23 -8.874 -11.608 -5.313 1.00 0.00 C ATOM 335 CD GLU A 23 -9.190 -12.211 -3.962 1.00 0.00 C ATOM 336 OE1 GLU A 23 -10.013 -13.152 -3.907 1.00 0.00 O ATOM 337 OE2 GLU A 23 -8.618 -11.755 -2.948 1.00 0.00 O ATOM 0 H GLU A 23 -10.461 -10.480 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.864 -11.721 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.533 -12.340 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.184 -13.455 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.792 -11.537 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.266 -10.592 -5.350 1.00 0.00 H new ATOM 344 N LYS A 24 -10.011 -12.683 -9.861 1.00 0.00 N ATOM 345 CA LYS A 24 -10.155 -13.534 -11.030 1.00 0.00 C ATOM 346 C LYS A 24 -8.978 -13.304 -11.975 1.00 0.00 C ATOM 347 O LYS A 24 -8.669 -14.140 -12.824 1.00 0.00 O ATOM 348 CB LYS A 24 -11.489 -13.256 -11.733 1.00 0.00 C ATOM 349 CG LYS A 24 -11.379 -12.383 -12.974 1.00 0.00 C ATOM 350 CD LYS A 24 -12.303 -12.865 -14.078 1.00 0.00 C ATOM 351 CE LYS A 24 -11.947 -12.228 -15.411 1.00 0.00 C ATOM 352 NZ LYS A 24 -12.072 -13.188 -16.537 1.00 0.00 N ATOM 0 H LYS A 24 -10.637 -11.878 -9.842 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.155 -14.579 -10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.943 -14.207 -12.012 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.165 -12.776 -11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.624 -11.352 -12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.350 -12.387 -13.332 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.238 -13.950 -14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.335 -12.626 -13.822 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.599 -11.373 -15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.926 -11.848 -15.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.820 -12.713 -17.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.432 -13.992 -16.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.052 -13.532 -16.593 1.00 0.00 H new ATOM 366 N VAL A 25 -8.337 -12.154 -11.816 1.00 0.00 N ATOM 367 CA VAL A 25 -7.140 -11.823 -12.563 1.00 0.00 C ATOM 368 C VAL A 25 -5.919 -12.396 -11.846 1.00 0.00 C ATOM 369 O VAL A 25 -5.706 -12.129 -10.662 1.00 0.00 O ATOM 370 CB VAL A 25 -6.995 -10.291 -12.721 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.645 -9.919 -13.317 1.00 0.00 C ATOM 372 CG2 VAL A 25 -8.125 -9.737 -13.575 1.00 0.00 C ATOM 0 H VAL A 25 -8.635 -11.427 -11.165 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.216 -12.259 -13.559 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.054 -9.846 -11.728 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.576 -8.836 -13.414 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.848 -10.276 -12.664 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.542 -10.379 -14.300 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.009 -8.658 -13.677 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.096 -10.200 -14.561 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.081 -9.956 -13.100 1.00 0.00 H new ATOM 382 N PRO A 26 -5.098 -13.192 -12.555 1.00 0.00 N ATOM 383 CA PRO A 26 -3.942 -13.883 -11.961 1.00 0.00 C ATOM 384 C PRO A 26 -2.826 -12.934 -11.512 1.00 0.00 C ATOM 385 O PRO A 26 -1.759 -13.376 -11.078 1.00 0.00 O ATOM 386 CB PRO A 26 -3.448 -14.788 -13.094 1.00 0.00 C ATOM 387 CG PRO A 26 -3.931 -14.138 -14.343 1.00 0.00 C ATOM 388 CD PRO A 26 -5.241 -13.492 -13.991 1.00 0.00 C ATOM 0 HA PRO A 26 -4.226 -14.415 -11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.361 -14.872 -13.087 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.846 -15.798 -12.995 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.215 -13.399 -14.701 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.058 -14.870 -15.140 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.413 -12.588 -14.575 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.082 -14.159 -14.180 1.00 0.00 H new ATOM 396 N GLY A 27 -3.072 -11.636 -11.616 1.00 0.00 N ATOM 397 CA GLY A 27 -2.102 -10.662 -11.168 1.00 0.00 C ATOM 398 C GLY A 27 -2.384 -10.197 -9.757 1.00 0.00 C ATOM 399 O GLY A 27 -1.536 -9.582 -9.119 1.00 0.00 O ATOM 0 H GLY A 27 -3.929 -11.241 -12.004 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.103 -11.096 -11.215 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.110 -9.805 -11.842 1.00 0.00 H new ATOM 403 N VAL A 28 -3.578 -10.489 -9.268 1.00 0.00 N ATOM 404 CA VAL A 28 -3.963 -10.102 -7.921 1.00 0.00 C ATOM 405 C VAL A 28 -3.716 -11.249 -6.952 1.00 0.00 C ATOM 406 O VAL A 28 -4.224 -12.354 -7.140 1.00 0.00 O ATOM 407 CB VAL A 28 -5.444 -9.676 -7.861 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.887 -9.426 -6.425 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.667 -8.435 -8.709 1.00 0.00 C ATOM 0 H VAL A 28 -4.298 -10.994 -9.785 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.351 -9.248 -7.633 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.048 -10.490 -8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.935 -9.127 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.764 -10.339 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.279 -8.633 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.716 -8.144 -8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.046 -7.621 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.399 -8.648 -9.744 1.00 0.00 H new ATOM 419 N GLN A 29 -2.924 -10.981 -5.926 1.00 0.00 N ATOM 420 CA GLN A 29 -2.609 -11.983 -4.923 1.00 0.00 C ATOM 421 C GLN A 29 -3.704 -12.027 -3.866 1.00 0.00 C ATOM 422 O GLN A 29 -4.220 -13.094 -3.531 1.00 0.00 O ATOM 423 CB GLN A 29 -1.259 -11.674 -4.272 1.00 0.00 C ATOM 424 CG GLN A 29 -0.624 -12.865 -3.575 1.00 0.00 C ATOM 425 CD GLN A 29 0.781 -12.569 -3.095 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.702 -12.408 -3.892 1.00 0.00 O ATOM 427 NE2 GLN A 29 0.952 -12.498 -1.786 1.00 0.00 N ATOM 0 H GLN A 29 -2.486 -10.074 -5.767 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.548 -12.958 -5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.574 -11.305 -5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.392 -10.870 -3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.241 -13.158 -2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.601 -13.713 -4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.159 -12.638 -1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.877 -12.303 -1.402 1.00 0.00 H new ATOM 436 N SER A 30 -4.062 -10.857 -3.357 1.00 0.00 N ATOM 437 CA SER A 30 -5.080 -10.749 -2.324 1.00 0.00 C ATOM 438 C SER A 30 -5.718 -9.365 -2.351 1.00 0.00 C ATOM 439 O SER A 30 -5.043 -8.358 -2.138 1.00 0.00 O ATOM 440 CB SER A 30 -4.463 -11.016 -0.947 1.00 0.00 C ATOM 441 OG SER A 30 -3.046 -10.923 -0.994 1.00 0.00 O ATOM 0 H SER A 30 -3.660 -9.965 -3.645 1.00 0.00 H new ATOM 0 HA SER A 30 -5.852 -11.494 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.854 -10.299 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.754 -12.008 -0.601 1.00 0.00 H new ATOM 0 HG SER A 30 -2.677 -11.096 -0.103 1.00 0.00 H new ATOM 447 N ALA A 31 -7.012 -9.315 -2.629 1.00 0.00 N ATOM 448 CA ALA A 31 -7.726 -8.049 -2.695 1.00 0.00 C ATOM 449 C ALA A 31 -8.598 -7.851 -1.463 1.00 0.00 C ATOM 450 O ALA A 31 -9.697 -8.395 -1.375 1.00 0.00 O ATOM 451 CB ALA A 31 -8.571 -7.984 -3.958 1.00 0.00 C ATOM 0 H ALA A 31 -7.589 -10.136 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.991 -7.245 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.099 -7.031 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.926 -8.074 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.294 -8.800 -3.955 1.00 0.00 H new ATOM 457 N LEU A 32 -8.109 -7.075 -0.509 1.00 0.00 N ATOM 458 CA LEU A 32 -8.854 -6.821 0.715 1.00 0.00 C ATOM 459 C LEU A 32 -9.541 -5.468 0.640 1.00 0.00 C ATOM 460 O LEU A 32 -9.052 -4.475 1.176 1.00 0.00 O ATOM 461 CB LEU A 32 -7.931 -6.884 1.932 1.00 0.00 C ATOM 462 CG LEU A 32 -7.541 -8.294 2.374 1.00 0.00 C ATOM 463 CD1 LEU A 32 -6.067 -8.546 2.100 1.00 0.00 C ATOM 464 CD2 LEU A 32 -7.857 -8.496 3.849 1.00 0.00 C ATOM 0 H LEU A 32 -7.202 -6.611 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.614 -7.594 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.022 -6.325 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.419 -6.380 2.766 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.125 -9.013 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.805 -9.554 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.872 -8.442 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.466 -7.822 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.573 -9.505 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.300 -7.772 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.925 -8.356 4.015 1.00 0.00 H new ATOM 476 N VAL A 33 -10.669 -5.431 -0.047 1.00 0.00 N ATOM 477 CA VAL A 33 -11.433 -4.204 -0.196 1.00 0.00 C ATOM 478 C VAL A 33 -12.207 -3.891 1.081 1.00 0.00 C ATOM 479 O VAL A 33 -13.018 -4.696 1.543 1.00 0.00 O ATOM 480 CB VAL A 33 -12.419 -4.297 -1.379 1.00 0.00 C ATOM 481 CG1 VAL A 33 -12.882 -2.912 -1.805 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.789 -5.036 -2.554 1.00 0.00 C ATOM 0 H VAL A 33 -11.078 -6.241 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.722 -3.402 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.290 -4.863 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.576 -3.001 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.381 -2.422 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.021 -2.319 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.503 -5.089 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.897 -4.503 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.516 -6.045 -2.245 1.00 0.00 H new ATOM 492 N SER A 34 -11.941 -2.728 1.653 1.00 0.00 N ATOM 493 CA SER A 34 -12.622 -2.285 2.853 1.00 0.00 C ATOM 494 C SER A 34 -13.910 -1.552 2.480 1.00 0.00 C ATOM 495 O SER A 34 -13.895 -0.365 2.137 1.00 0.00 O ATOM 496 CB SER A 34 -11.693 -1.384 3.670 1.00 0.00 C ATOM 497 OG SER A 34 -10.344 -1.811 3.547 1.00 0.00 O ATOM 0 H SER A 34 -11.249 -2.068 1.298 1.00 0.00 H new ATOM 0 HA SER A 34 -12.887 -3.149 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.786 -0.353 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.991 -1.401 4.718 1.00 0.00 H new ATOM 0 HG SER A 34 -9.943 -1.890 4.438 1.00 0.00 H new ATOM 503 N TYR A 35 -15.020 -2.281 2.551 1.00 0.00 N ATOM 504 CA TYR A 35 -16.320 -1.784 2.128 1.00 0.00 C ATOM 505 C TYR A 35 -16.791 -0.540 2.909 1.00 0.00 C ATOM 506 O TYR A 35 -17.309 0.391 2.294 1.00 0.00 O ATOM 507 CB TYR A 35 -17.345 -2.938 2.137 1.00 0.00 C ATOM 508 CG TYR A 35 -18.344 -2.975 3.281 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.441 -2.121 3.294 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.166 -3.825 4.367 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.329 -2.118 4.351 1.00 0.00 C ATOM 512 CE2 TYR A 35 -19.055 -3.831 5.423 1.00 0.00 C ATOM 513 CZ TYR A 35 -20.211 -3.111 5.337 1.00 0.00 C ATOM 514 OH TYR A 35 -21.012 -2.967 6.468 1.00 0.00 O ATOM 0 H TYR A 35 -15.040 -3.237 2.906 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.223 -1.423 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.904 -2.899 1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.794 -3.878 2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.601 -1.449 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.317 -4.492 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.101 -1.365 4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.837 -4.403 6.313 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.847 -3.712 7.083 1.00 0.00 H new ATOM 524 N PRO A 36 -16.629 -0.468 4.256 1.00 0.00 N ATOM 525 CA PRO A 36 -17.079 0.706 5.021 1.00 0.00 C ATOM 526 C PRO A 36 -16.246 1.956 4.734 1.00 0.00 C ATOM 527 O PRO A 36 -16.690 3.079 4.981 1.00 0.00 O ATOM 528 CB PRO A 36 -16.898 0.277 6.478 1.00 0.00 C ATOM 529 CG PRO A 36 -15.824 -0.750 6.434 1.00 0.00 C ATOM 530 CD PRO A 36 -16.017 -1.485 5.140 1.00 0.00 C ATOM 0 HA PRO A 36 -18.101 0.981 4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.615 1.120 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.821 -0.132 6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.838 -0.287 6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.896 -1.428 7.284 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.071 -1.849 4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.665 -2.353 5.263 1.00 0.00 H new ATOM 538 N LYS A 37 -15.050 1.761 4.194 1.00 0.00 N ATOM 539 CA LYS A 37 -14.126 2.861 3.966 1.00 0.00 C ATOM 540 C LYS A 37 -14.169 3.320 2.512 1.00 0.00 C ATOM 541 O LYS A 37 -13.723 4.421 2.185 1.00 0.00 O ATOM 542 CB LYS A 37 -12.705 2.433 4.341 1.00 0.00 C ATOM 543 CG LYS A 37 -12.117 3.214 5.505 1.00 0.00 C ATOM 544 CD LYS A 37 -11.563 4.552 5.052 1.00 0.00 C ATOM 545 CE LYS A 37 -10.176 4.409 4.449 1.00 0.00 C ATOM 546 NZ LYS A 37 -9.101 4.706 5.432 1.00 0.00 N ATOM 0 H LYS A 37 -14.698 0.848 3.906 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.428 3.699 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.709 1.372 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.058 2.552 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.885 3.374 6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.324 2.630 5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.236 4.995 4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.523 5.236 5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.049 3.395 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.082 5.081 3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.173 4.595 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.204 5.682 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.173 4.048 6.234 1.00 0.00 H new ATOM 560 N GLY A 38 -14.711 2.476 1.645 1.00 0.00 N ATOM 561 CA GLY A 38 -14.729 2.785 0.226 1.00 0.00 C ATOM 562 C GLY A 38 -13.338 2.735 -0.369 1.00 0.00 C ATOM 563 O GLY A 38 -13.006 3.493 -1.279 1.00 0.00 O ATOM 0 H GLY A 38 -15.138 1.584 1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.374 2.077 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.156 3.776 0.074 1.00 0.00 H new ATOM 567 N THR A 39 -12.514 1.842 0.160 1.00 0.00 N ATOM 568 CA THR A 39 -11.133 1.714 -0.285 1.00 0.00 C ATOM 569 C THR A 39 -10.757 0.249 -0.450 1.00 0.00 C ATOM 570 O THR A 39 -11.425 -0.631 0.087 1.00 0.00 O ATOM 571 CB THR A 39 -10.174 2.385 0.716 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.930 3.014 1.759 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.305 3.424 0.025 1.00 0.00 C ATOM 0 H THR A 39 -12.779 1.193 0.901 1.00 0.00 H new ATOM 0 HA THR A 39 -11.044 2.214 -1.249 1.00 0.00 H new ATOM 0 HB THR A 39 -9.526 1.617 1.138 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.736 3.975 1.770 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.637 3.883 0.754 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.715 2.944 -0.756 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.939 4.191 -0.419 1.00 0.00 H new ATOM 581 N ALA A 40 -9.702 -0.011 -1.202 1.00 0.00 N ATOM 582 CA ALA A 40 -9.252 -1.370 -1.438 1.00 0.00 C ATOM 583 C ALA A 40 -7.775 -1.518 -1.100 1.00 0.00 C ATOM 584 O ALA A 40 -6.940 -0.748 -1.578 1.00 0.00 O ATOM 585 CB ALA A 40 -9.504 -1.765 -2.884 1.00 0.00 C ATOM 0 H ALA A 40 -9.139 0.705 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.819 -2.035 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.162 -2.787 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.571 -1.701 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.960 -1.090 -3.545 1.00 0.00 H new ATOM 591 N GLN A 41 -7.463 -2.498 -0.269 1.00 0.00 N ATOM 592 CA GLN A 41 -6.080 -2.803 0.067 1.00 0.00 C ATOM 593 C GLN A 41 -5.707 -4.136 -0.563 1.00 0.00 C ATOM 594 O GLN A 41 -5.922 -5.195 0.023 1.00 0.00 O ATOM 595 CB GLN A 41 -5.871 -2.857 1.590 1.00 0.00 C ATOM 596 CG GLN A 41 -7.034 -2.311 2.406 1.00 0.00 C ATOM 597 CD GLN A 41 -6.958 -0.810 2.611 1.00 0.00 C ATOM 598 OE1 GLN A 41 -5.947 -0.176 2.309 1.00 0.00 O ATOM 599 NE2 GLN A 41 -8.030 -0.229 3.125 1.00 0.00 N ATOM 0 H GLN A 41 -8.150 -3.098 0.187 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.439 -2.012 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.692 -3.891 1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.972 -2.294 1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.970 -2.557 1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.053 -2.805 3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.849 -0.789 3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.037 0.779 3.284 1.00 0.00 H new ATOM 608 N LEU A 42 -5.171 -4.085 -1.769 1.00 0.00 N ATOM 609 CA LEU A 42 -4.919 -5.298 -2.522 1.00 0.00 C ATOM 610 C LEU A 42 -3.443 -5.451 -2.853 1.00 0.00 C ATOM 611 O LEU A 42 -2.763 -4.488 -3.210 1.00 0.00 O ATOM 612 CB LEU A 42 -5.771 -5.311 -3.799 1.00 0.00 C ATOM 613 CG LEU A 42 -5.161 -4.610 -5.015 1.00 0.00 C ATOM 614 CD1 LEU A 42 -5.502 -5.373 -6.283 1.00 0.00 C ATOM 615 CD2 LEU A 42 -5.649 -3.170 -5.112 1.00 0.00 C ATOM 0 H LEU A 42 -4.904 -3.223 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.202 -6.149 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.975 -6.348 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.731 -4.844 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.078 -4.592 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.063 -4.866 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.103 -6.385 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.585 -5.416 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.202 -2.692 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.735 -3.159 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.360 -2.627 -4.212 1.00 0.00 H new ATOM 627 N ALA A 43 -2.951 -6.665 -2.710 1.00 0.00 N ATOM 628 CA ALA A 43 -1.584 -6.982 -3.063 1.00 0.00 C ATOM 629 C ALA A 43 -1.548 -7.614 -4.443 1.00 0.00 C ATOM 630 O ALA A 43 -2.250 -8.593 -4.700 1.00 0.00 O ATOM 631 CB ALA A 43 -0.974 -7.915 -2.030 1.00 0.00 C ATOM 0 H ALA A 43 -3.485 -7.455 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.996 -6.064 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.054 -8.144 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.986 -7.433 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.553 -8.838 -1.986 1.00 0.00 H new ATOM 637 N ILE A 44 -0.758 -7.042 -5.336 1.00 0.00 N ATOM 638 CA ILE A 44 -0.663 -7.547 -6.698 1.00 0.00 C ATOM 639 C ILE A 44 0.702 -8.163 -6.954 1.00 0.00 C ATOM 640 O ILE A 44 1.680 -7.829 -6.285 1.00 0.00 O ATOM 641 CB ILE A 44 -0.916 -6.441 -7.747 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.436 -5.086 -7.227 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.393 -6.383 -8.110 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.335 -4.284 -8.251 1.00 0.00 C ATOM 0 H ILE A 44 -0.173 -6.229 -5.144 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.437 -8.307 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.349 -6.681 -8.646 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.298 -4.506 -6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.194 -5.244 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.555 -5.599 -8.850 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.704 -7.342 -8.524 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.979 -6.166 -7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.644 -3.335 -7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.217 -4.844 -8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.299 -4.094 -9.117 1.00 0.00 H new ATOM 656 N VAL A 45 0.762 -9.069 -7.914 1.00 0.00 N ATOM 657 CA VAL A 45 2.015 -9.689 -8.302 1.00 0.00 C ATOM 658 C VAL A 45 2.839 -8.702 -9.119 1.00 0.00 C ATOM 659 O VAL A 45 2.329 -8.117 -10.080 1.00 0.00 O ATOM 660 CB VAL A 45 1.777 -10.974 -9.125 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.093 -11.649 -9.486 1.00 0.00 C ATOM 662 CG2 VAL A 45 0.878 -11.935 -8.361 1.00 0.00 C ATOM 0 H VAL A 45 -0.049 -9.393 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 45 2.554 -9.964 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 45 1.280 -10.692 -10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.893 -12.551 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.702 -10.966 -10.078 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.628 -11.915 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.720 -12.835 -8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.351 -12.202 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.082 -11.457 -8.164 1.00 0.00 H new ATOM 672 N PRO A 46 4.105 -8.478 -8.721 1.00 0.00 N ATOM 673 CA PRO A 46 5.017 -7.560 -9.415 1.00 0.00 C ATOM 674 C PRO A 46 4.990 -7.740 -10.931 1.00 0.00 C ATOM 675 O PRO A 46 5.327 -8.803 -11.454 1.00 0.00 O ATOM 676 CB PRO A 46 6.381 -7.938 -8.846 1.00 0.00 C ATOM 677 CG PRO A 46 6.087 -8.420 -7.469 1.00 0.00 C ATOM 678 CD PRO A 46 4.747 -9.102 -7.546 1.00 0.00 C ATOM 0 HA PRO A 46 4.748 -6.515 -9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.860 -8.713 -9.444 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.057 -7.083 -8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.857 -9.110 -7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.063 -7.591 -6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.853 -10.180 -7.672 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.164 -8.943 -6.639 1.00 0.00 H new ATOM 686 N GLY A 47 4.576 -6.689 -11.623 1.00 0.00 N ATOM 687 CA GLY A 47 4.418 -6.752 -13.060 1.00 0.00 C ATOM 688 C GLY A 47 3.061 -6.232 -13.470 1.00 0.00 C ATOM 689 O GLY A 47 2.916 -5.559 -14.492 1.00 0.00 O ATOM 0 H GLY A 47 4.345 -5.786 -11.209 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.199 -6.165 -13.543 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.537 -7.781 -13.399 1.00 0.00 H new ATOM 693 N THR A 48 2.065 -6.542 -12.656 1.00 0.00 N ATOM 694 CA THR A 48 0.720 -6.039 -12.863 1.00 0.00 C ATOM 695 C THR A 48 0.644 -4.571 -12.478 1.00 0.00 C ATOM 696 O THR A 48 1.107 -4.175 -11.410 1.00 0.00 O ATOM 697 CB THR A 48 -0.302 -6.847 -12.043 1.00 0.00 C ATOM 698 OG1 THR A 48 0.218 -8.160 -11.776 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.624 -6.961 -12.785 1.00 0.00 C ATOM 0 H THR A 48 2.166 -7.145 -11.840 1.00 0.00 H new ATOM 0 HA THR A 48 0.477 -6.147 -13.920 1.00 0.00 H new ATOM 0 HB THR A 48 -0.478 -6.325 -11.103 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.869 -8.112 -11.045 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.329 -7.536 -12.185 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.028 -5.965 -12.964 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.464 -7.464 -13.739 1.00 0.00 H new ATOM 707 N SER A 49 0.082 -3.764 -13.360 1.00 0.00 N ATOM 708 CA SER A 49 -0.009 -2.342 -13.119 1.00 0.00 C ATOM 709 C SER A 49 -1.353 -1.992 -12.482 1.00 0.00 C ATOM 710 O SER A 49 -2.401 -2.438 -12.946 1.00 0.00 O ATOM 711 CB SER A 49 0.189 -1.573 -14.428 1.00 0.00 C ATOM 712 OG SER A 49 1.061 -2.276 -15.301 1.00 0.00 O ATOM 0 H SER A 49 -0.317 -4.072 -14.247 1.00 0.00 H new ATOM 0 HA SER A 49 0.780 -2.052 -12.425 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.774 -1.421 -14.915 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.598 -0.585 -14.216 1.00 0.00 H new ATOM 0 HG SER A 49 1.172 -1.768 -16.132 1.00 0.00 H new ATOM 718 N PRO A 50 -1.345 -1.189 -11.409 1.00 0.00 N ATOM 719 CA PRO A 50 -2.570 -0.817 -10.692 1.00 0.00 C ATOM 720 C PRO A 50 -3.504 0.056 -11.521 1.00 0.00 C ATOM 721 O PRO A 50 -4.669 0.250 -11.170 1.00 0.00 O ATOM 722 CB PRO A 50 -2.061 -0.056 -9.466 1.00 0.00 C ATOM 723 CG PRO A 50 -0.702 0.424 -9.845 1.00 0.00 C ATOM 724 CD PRO A 50 -0.143 -0.601 -10.793 1.00 0.00 C ATOM 0 HA PRO A 50 -3.166 -1.695 -10.443 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.719 0.777 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.021 -0.702 -8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.754 1.404 -10.318 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.067 0.528 -8.965 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.508 -0.145 -11.539 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.448 -1.352 -10.269 1.00 0.00 H new ATOM 732 N ASP A 51 -2.998 0.553 -12.637 1.00 0.00 N ATOM 733 CA ASP A 51 -3.808 1.321 -13.561 1.00 0.00 C ATOM 734 C ASP A 51 -4.803 0.393 -14.222 1.00 0.00 C ATOM 735 O ASP A 51 -5.908 0.792 -14.593 1.00 0.00 O ATOM 736 CB ASP A 51 -2.911 1.991 -14.609 1.00 0.00 C ATOM 737 CG ASP A 51 -3.484 1.941 -16.016 1.00 0.00 C ATOM 738 OD1 ASP A 51 -3.279 0.925 -16.713 1.00 0.00 O ATOM 739 OD2 ASP A 51 -4.153 2.911 -16.428 1.00 0.00 O ATOM 0 H ASP A 51 -2.026 0.437 -12.924 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.346 2.104 -13.026 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.751 3.032 -14.327 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.935 1.505 -14.605 1.00 0.00 H new ATOM 744 N ALA A 52 -4.408 -0.866 -14.314 1.00 0.00 N ATOM 745 CA ALA A 52 -5.226 -1.873 -14.956 1.00 0.00 C ATOM 746 C ALA A 52 -6.399 -2.234 -14.067 1.00 0.00 C ATOM 747 O ALA A 52 -7.501 -2.480 -14.545 1.00 0.00 O ATOM 748 CB ALA A 52 -4.406 -3.109 -15.293 1.00 0.00 C ATOM 0 H ALA A 52 -3.521 -1.213 -13.949 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.608 -1.462 -15.891 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.045 -3.849 -15.774 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.596 -2.835 -15.969 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.989 -3.530 -14.378 1.00 0.00 H new ATOM 754 N LEU A 53 -6.151 -2.239 -12.767 1.00 0.00 N ATOM 755 CA LEU A 53 -7.195 -2.503 -11.791 1.00 0.00 C ATOM 756 C LEU A 53 -8.187 -1.352 -11.788 1.00 0.00 C ATOM 757 O LEU A 53 -9.401 -1.555 -11.790 1.00 0.00 O ATOM 758 CB LEU A 53 -6.590 -2.679 -10.397 1.00 0.00 C ATOM 759 CG LEU A 53 -5.262 -3.440 -10.355 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.544 -3.182 -9.039 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.495 -4.932 -10.550 1.00 0.00 C ATOM 0 H LEU A 53 -5.231 -2.062 -12.362 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.711 -3.425 -12.061 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.440 -1.693 -9.956 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.311 -3.203 -9.769 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.633 -3.081 -11.169 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.602 -3.730 -9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.345 -2.115 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.170 -3.516 -8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.540 -5.457 -10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.142 -5.306 -9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.970 -5.103 -11.516 1.00 0.00 H new ATOM 773 N THR A 54 -7.647 -0.138 -11.806 1.00 0.00 N ATOM 774 CA THR A 54 -8.457 1.065 -11.878 1.00 0.00 C ATOM 775 C THR A 54 -9.335 1.049 -13.126 1.00 0.00 C ATOM 776 O THR A 54 -10.545 1.277 -13.052 1.00 0.00 O ATOM 777 CB THR A 54 -7.561 2.321 -11.882 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.627 2.251 -10.797 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.390 3.591 -11.755 1.00 0.00 C ATOM 0 H THR A 54 -6.642 0.036 -11.771 1.00 0.00 H new ATOM 0 HA THR A 54 -9.100 1.093 -10.998 1.00 0.00 H new ATOM 0 HB THR A 54 -7.027 2.353 -12.832 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.885 1.660 -11.042 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.730 4.458 -11.761 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.084 3.658 -12.593 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.950 3.568 -10.820 1.00 0.00 H new ATOM 787 N ALA A 55 -8.722 0.751 -14.265 1.00 0.00 N ATOM 788 CA ALA A 55 -9.451 0.687 -15.524 1.00 0.00 C ATOM 789 C ALA A 55 -10.446 -0.465 -15.519 1.00 0.00 C ATOM 790 O ALA A 55 -11.510 -0.373 -16.125 1.00 0.00 O ATOM 791 CB ALA A 55 -8.488 0.560 -16.698 1.00 0.00 C ATOM 0 H ALA A 55 -7.725 0.551 -14.342 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.010 1.616 -15.638 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.053 0.514 -17.629 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.824 1.424 -16.719 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.897 -0.349 -16.587 1.00 0.00 H new ATOM 797 N ALA A 56 -10.096 -1.548 -14.838 1.00 0.00 N ATOM 798 CA ALA A 56 -10.991 -2.690 -14.718 1.00 0.00 C ATOM 799 C ALA A 56 -12.250 -2.312 -13.949 1.00 0.00 C ATOM 800 O ALA A 56 -13.364 -2.602 -14.384 1.00 0.00 O ATOM 801 CB ALA A 56 -10.287 -3.858 -14.045 1.00 0.00 C ATOM 0 H ALA A 56 -9.201 -1.659 -14.362 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.282 -2.997 -15.722 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.974 -4.700 -13.966 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.421 -4.151 -14.638 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.961 -3.561 -13.048 1.00 0.00 H new ATOM 807 N VAL A 57 -12.070 -1.647 -12.812 1.00 0.00 N ATOM 808 CA VAL A 57 -13.202 -1.219 -12.003 1.00 0.00 C ATOM 809 C VAL A 57 -14.014 -0.152 -12.734 1.00 0.00 C ATOM 810 O VAL A 57 -15.243 -0.208 -12.762 1.00 0.00 O ATOM 811 CB VAL A 57 -12.753 -0.683 -10.632 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.951 -0.288 -9.781 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.900 -1.712 -9.905 1.00 0.00 C ATOM 0 H VAL A 57 -11.157 -1.395 -12.433 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.828 -2.096 -11.836 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.149 0.208 -10.802 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.605 0.087 -8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.519 0.490 -10.291 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.588 -1.158 -9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.593 -1.313 -8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.479 -2.623 -9.754 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.016 -1.938 -10.501 1.00 0.00 H new ATOM 823 N ALA A 58 -13.322 0.809 -13.344 1.00 0.00 N ATOM 824 CA ALA A 58 -13.992 1.867 -14.092 1.00 0.00 C ATOM 825 C ALA A 58 -14.731 1.300 -15.301 1.00 0.00 C ATOM 826 O ALA A 58 -15.808 1.772 -15.666 1.00 0.00 O ATOM 827 CB ALA A 58 -12.991 2.926 -14.527 1.00 0.00 C ATOM 0 H ALA A 58 -12.304 0.875 -13.334 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.727 2.332 -13.435 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.507 3.708 -15.084 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.516 3.360 -13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.231 2.470 -15.162 1.00 0.00 H new ATOM 833 N GLY A 59 -14.156 0.272 -15.904 1.00 0.00 N ATOM 834 CA GLY A 59 -14.753 -0.340 -17.074 1.00 0.00 C ATOM 835 C GLY A 59 -15.891 -1.275 -16.722 1.00 0.00 C ATOM 836 O GLY A 59 -16.710 -1.618 -17.573 1.00 0.00 O ATOM 0 H GLY A 59 -13.279 -0.153 -15.602 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.121 0.440 -17.740 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.989 -0.892 -17.621 1.00 0.00 H new ATOM 840 N LEU A 60 -15.957 -1.673 -15.458 1.00 0.00 N ATOM 841 CA LEU A 60 -17.000 -2.578 -14.988 1.00 0.00 C ATOM 842 C LEU A 60 -18.274 -1.814 -14.646 1.00 0.00 C ATOM 843 O LEU A 60 -19.190 -2.349 -14.021 1.00 0.00 O ATOM 844 CB LEU A 60 -16.517 -3.354 -13.765 1.00 0.00 C ATOM 845 CG LEU A 60 -16.263 -4.843 -13.995 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.425 -5.416 -12.866 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.576 -5.596 -14.110 1.00 0.00 C ATOM 0 H LEU A 60 -15.298 -1.382 -14.736 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.224 -3.279 -15.792 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.595 -2.896 -13.405 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.257 -3.247 -12.972 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.715 -4.959 -14.930 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.252 -6.477 -13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.469 -4.895 -12.822 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.952 -5.287 -11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.375 -6.655 -14.274 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.148 -5.473 -13.190 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.149 -5.202 -14.949 1.00 0.00 H new ATOM 859 N GLY A 61 -18.313 -0.559 -15.053 1.00 0.00 N ATOM 860 CA GLY A 61 -19.470 0.277 -14.804 1.00 0.00 C ATOM 861 C GLY A 61 -19.316 1.098 -13.543 1.00 0.00 C ATOM 862 O GLY A 61 -20.139 1.963 -13.247 1.00 0.00 O ATOM 0 H GLY A 61 -17.556 -0.097 -15.557 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.626 0.943 -15.653 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.359 -0.349 -14.723 1.00 0.00 H new ATOM 866 N TYR A 62 -18.248 0.833 -12.806 1.00 0.00 N ATOM 867 CA TYR A 62 -17.990 1.525 -11.556 1.00 0.00 C ATOM 868 C TYR A 62 -16.987 2.648 -11.773 1.00 0.00 C ATOM 869 O TYR A 62 -16.664 2.991 -12.910 1.00 0.00 O ATOM 870 CB TYR A 62 -17.450 0.548 -10.510 1.00 0.00 C ATOM 871 CG TYR A 62 -18.182 -0.774 -10.439 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.567 -0.825 -10.344 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.482 -1.972 -10.448 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.231 -2.034 -10.262 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.138 -3.185 -10.362 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.511 -3.209 -10.270 1.00 0.00 C ATOM 877 OH TYR A 62 -20.165 -4.415 -10.178 1.00 0.00 O ATOM 0 H TYR A 62 -17.543 0.139 -13.055 1.00 0.00 H new ATOM 0 HA TYR A 62 -18.928 1.949 -11.197 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.399 0.354 -10.723 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.494 1.025 -9.531 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.133 0.094 -10.334 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.405 -1.956 -10.524 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.308 -2.058 -10.192 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.577 -4.108 -10.367 1.00 0.00 H new ATOM 0 HH TYR A 62 -21.055 -4.336 -10.579 1.00 0.00 H new ATOM 887 N LYS A 63 -16.498 3.221 -10.684 1.00 0.00 N ATOM 888 CA LYS A 63 -15.488 4.262 -10.757 1.00 0.00 C ATOM 889 C LYS A 63 -14.367 3.952 -9.777 1.00 0.00 C ATOM 890 O LYS A 63 -14.592 3.883 -8.569 1.00 0.00 O ATOM 891 CB LYS A 63 -16.097 5.633 -10.439 1.00 0.00 C ATOM 892 CG LYS A 63 -17.003 6.174 -11.532 1.00 0.00 C ATOM 893 CD LYS A 63 -18.460 6.154 -11.104 1.00 0.00 C ATOM 894 CE LYS A 63 -19.274 7.202 -11.844 1.00 0.00 C ATOM 895 NZ LYS A 63 -20.666 6.747 -12.089 1.00 0.00 N ATOM 0 H LYS A 63 -16.787 2.980 -9.736 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.088 4.292 -11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.666 5.560 -9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.291 6.345 -10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.709 7.194 -11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.880 5.579 -12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.881 5.166 -11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.527 6.331 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.290 8.125 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.793 7.431 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.190 7.489 -12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.652 5.880 -12.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -21.133 6.553 -11.180 1.00 0.00 H new ATOM 909 N ALA A 64 -13.170 3.737 -10.289 1.00 0.00 N ATOM 910 CA ALA A 64 -12.034 3.457 -9.429 1.00 0.00 C ATOM 911 C ALA A 64 -11.117 4.664 -9.319 1.00 0.00 C ATOM 912 O ALA A 64 -11.015 5.470 -10.241 1.00 0.00 O ATOM 913 CB ALA A 64 -11.261 2.255 -9.945 1.00 0.00 C ATOM 0 H ALA A 64 -12.959 3.750 -11.287 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.416 3.230 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.413 2.059 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.915 1.383 -9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.900 2.460 -10.953 1.00 0.00 H new ATOM 919 N THR A 65 -10.471 4.785 -8.173 1.00 0.00 N ATOM 920 CA THR A 65 -9.452 5.798 -7.956 1.00 0.00 C ATOM 921 C THR A 65 -8.278 5.161 -7.229 1.00 0.00 C ATOM 922 O THR A 65 -8.222 3.937 -7.110 1.00 0.00 O ATOM 923 CB THR A 65 -9.996 6.986 -7.138 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.344 6.726 -6.731 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.947 8.269 -7.955 1.00 0.00 C ATOM 0 H THR A 65 -10.638 4.184 -7.366 1.00 0.00 H new ATOM 0 HA THR A 65 -9.134 6.187 -8.923 1.00 0.00 H new ATOM 0 HB THR A 65 -9.369 7.109 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.681 7.485 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.335 9.095 -7.359 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.916 8.480 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.554 8.152 -8.853 1.00 0.00 H new ATOM 933 N LEU A 66 -7.358 5.963 -6.717 1.00 0.00 N ATOM 934 CA LEU A 66 -6.201 5.416 -6.030 1.00 0.00 C ATOM 935 C LEU A 66 -5.646 6.398 -5.009 1.00 0.00 C ATOM 936 O LEU A 66 -5.506 7.590 -5.283 1.00 0.00 O ATOM 937 CB LEU A 66 -5.113 5.025 -7.035 1.00 0.00 C ATOM 938 CG LEU A 66 -4.625 6.151 -7.950 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.117 6.315 -7.832 1.00 0.00 C ATOM 940 CD2 LEU A 66 -5.019 5.871 -9.393 1.00 0.00 C ATOM 0 H LEU A 66 -7.389 6.981 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.525 4.523 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.258 4.632 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.492 4.214 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.099 7.081 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.786 7.119 -8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.857 6.558 -6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.626 5.386 -8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.665 6.681 -10.031 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.571 4.932 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.104 5.800 -9.467 1.00 0.00 H new ATOM 952 N ALA A 67 -5.364 5.883 -3.825 1.00 0.00 N ATOM 953 CA ALA A 67 -4.734 6.658 -2.771 1.00 0.00 C ATOM 954 C ALA A 67 -3.547 5.881 -2.228 1.00 0.00 C ATOM 955 O ALA A 67 -3.724 4.881 -1.539 1.00 0.00 O ATOM 956 CB ALA A 67 -5.731 6.970 -1.663 1.00 0.00 C ATOM 0 H ALA A 67 -5.565 4.917 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.387 7.608 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.238 7.551 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.563 7.543 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.107 6.039 -1.239 1.00 0.00 H new ATOM 962 N ASP A 68 -2.345 6.335 -2.558 1.00 0.00 N ATOM 963 CA ASP A 68 -1.121 5.602 -2.246 1.00 0.00 C ATOM 964 C ASP A 68 -0.924 5.419 -0.743 1.00 0.00 C ATOM 965 O ASP A 68 -0.299 4.453 -0.303 1.00 0.00 O ATOM 966 CB ASP A 68 0.089 6.321 -2.845 1.00 0.00 C ATOM 967 CG ASP A 68 1.309 5.424 -2.951 1.00 0.00 C ATOM 968 OD1 ASP A 68 1.154 4.232 -3.294 1.00 0.00 O ATOM 969 OD2 ASP A 68 2.430 5.911 -2.696 1.00 0.00 O ATOM 0 H ASP A 68 -2.189 7.217 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.216 4.610 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.169 6.695 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.332 7.188 -2.231 1.00 0.00 H new ATOM 974 N ALA A 69 -1.463 6.338 0.040 1.00 0.00 N ATOM 975 CA ALA A 69 -1.313 6.288 1.483 1.00 0.00 C ATOM 976 C ALA A 69 -2.673 6.312 2.159 1.00 0.00 C ATOM 977 O ALA A 69 -3.687 6.484 1.451 1.00 0.00 O ATOM 978 CB ALA A 69 -0.455 7.448 1.963 1.00 0.00 C ATOM 979 OXT ALA A 69 -2.731 6.174 3.397 1.00 0.00 O ATOM 0 H ALA A 69 -2.009 7.129 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.815 5.356 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.350 7.399 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.530 7.388 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.929 8.390 1.687 1.00 0.00 H new TER 985 ALA A 69