USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 44 SER OG : rot -69:sc= 1.19 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= -0.0115 USER MOD Set 2.1: A 13 TYR OH : rot -27:sc= 1.13 USER MOD Set 2.2: A 34 THR OG1 : rot 81:sc= 1.74 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -143:sc= -4.34! (180deg=-6.51!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 150:sc= -2.97! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 141:sc= -1.06 (180deg=-2.72!) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.202) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -8.87! C(o=-8.9!,f=-5.9!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.39 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= -0.0126 (180deg=-0.233) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 149:sc= -0.146 (180deg=-1.64!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.37! C(o=-3.4!,f=-3.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 67 GLN : amide:sc= 0.326 X(o=0.33,f=-0.011) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= -0.484 (180deg=-0.852) USER MOD Single : A 74 SER OG : rot -176:sc= -1.85 USER MOD Single : A 75 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 11.856 3.898 3.137 1.00 0.00 N ATOM 2 CA MET A 0 12.656 4.402 4.288 1.00 0.00 C ATOM 3 C MET A 0 12.385 5.896 4.480 1.00 0.00 C ATOM 4 O MET A 0 13.247 6.639 4.903 1.00 0.00 O ATOM 5 CB MET A 0 14.144 4.189 4.002 1.00 0.00 C ATOM 6 CG MET A 0 14.757 3.305 5.090 1.00 0.00 C ATOM 7 SD MET A 0 15.865 2.094 4.328 1.00 0.00 S ATOM 8 CE MET A 0 17.299 2.409 5.385 1.00 0.00 C ATOM 0 H1 MET A 0 11.519 2.936 3.343 1.00 0.00 H new ATOM 0 H2 MET A 0 11.040 4.524 2.980 1.00 0.00 H new ATOM 0 H3 MET A 0 12.449 3.882 2.283 1.00 0.00 H new ATOM 0 HA MET A 0 12.376 3.862 5.192 1.00 0.00 H new ATOM 0 HB2 MET A 0 14.273 3.723 3.025 1.00 0.00 H new ATOM 0 HB3 MET A 0 14.659 5.149 3.967 1.00 0.00 H new ATOM 0 HG2 MET A 0 15.306 3.918 5.805 1.00 0.00 H new ATOM 0 HG3 MET A 0 13.970 2.795 5.646 1.00 0.00 H new ATOM 0 HE1 MET A 0 18.121 1.757 5.087 1.00 0.00 H new ATOM 0 HE2 MET A 0 17.606 3.450 5.282 1.00 0.00 H new ATOM 0 HE3 MET A 0 17.036 2.210 6.424 1.00 0.00 H new ATOM 18 N LYS A 1 11.197 6.345 4.169 1.00 0.00 N ATOM 19 CA LYS A 1 10.893 7.794 4.334 1.00 0.00 C ATOM 20 C LYS A 1 11.181 8.217 5.772 1.00 0.00 C ATOM 21 O LYS A 1 11.521 9.350 6.047 1.00 0.00 O ATOM 22 CB LYS A 1 9.420 8.069 4.012 1.00 0.00 C ATOM 23 CG LYS A 1 9.043 9.460 4.530 1.00 0.00 C ATOM 24 CD LYS A 1 8.318 10.237 3.433 1.00 0.00 C ATOM 25 CE LYS A 1 8.782 11.694 3.445 1.00 0.00 C ATOM 26 NZ LYS A 1 9.900 11.870 2.477 1.00 0.00 N ATOM 0 H LYS A 1 10.431 5.775 3.811 1.00 0.00 H new ATOM 0 HA LYS A 1 11.520 8.364 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.253 8.011 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.787 7.312 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 1 8.405 9.371 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 1 9.939 9.999 4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 1 8.521 9.788 2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.240 10.187 3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.954 12.352 3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.107 11.974 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 10.214 12.861 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 10.693 11.253 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 9.575 11.619 1.522 1.00 0.00 H new ATOM 40 N SER A 2 11.040 7.312 6.684 1.00 0.00 N ATOM 41 CA SER A 2 11.295 7.638 8.111 1.00 0.00 C ATOM 42 C SER A 2 12.425 6.726 8.605 1.00 0.00 C ATOM 43 O SER A 2 12.974 5.972 7.828 1.00 0.00 O ATOM 44 CB SER A 2 10.005 7.397 8.905 1.00 0.00 C ATOM 45 OG SER A 2 10.100 6.161 9.600 1.00 0.00 O ATOM 0 H SER A 2 10.756 6.349 6.505 1.00 0.00 H new ATOM 0 HA SER A 2 11.591 8.679 8.240 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.842 8.212 9.611 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.148 7.383 8.231 1.00 0.00 H new ATOM 0 HG SER A 2 9.573 6.208 10.425 1.00 0.00 H new ATOM 51 N PRO A 3 12.758 6.813 9.867 1.00 0.00 N ATOM 52 CA PRO A 3 13.837 5.986 10.434 1.00 0.00 C ATOM 53 C PRO A 3 13.595 4.501 10.133 1.00 0.00 C ATOM 54 O PRO A 3 14.496 3.692 10.223 1.00 0.00 O ATOM 55 CB PRO A 3 13.793 6.263 11.942 1.00 0.00 C ATOM 56 CG PRO A 3 12.776 7.410 12.176 1.00 0.00 C ATOM 57 CD PRO A 3 12.103 7.721 10.829 1.00 0.00 C ATOM 0 HA PRO A 3 14.811 6.225 10.008 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.494 5.368 12.488 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.780 6.545 12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.032 7.116 12.916 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.280 8.295 12.565 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.028 7.544 10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.243 8.765 10.548 1.00 0.00 H new ATOM 65 N GLU A 4 12.391 4.135 9.771 1.00 0.00 N ATOM 66 CA GLU A 4 12.101 2.703 9.461 1.00 0.00 C ATOM 67 C GLU A 4 10.590 2.473 9.482 1.00 0.00 C ATOM 68 O GLU A 4 10.089 1.655 10.226 1.00 0.00 O ATOM 69 CB GLU A 4 12.758 1.793 10.508 1.00 0.00 C ATOM 70 CG GLU A 4 12.510 2.354 11.912 1.00 0.00 C ATOM 71 CD GLU A 4 13.036 1.368 12.957 1.00 0.00 C ATOM 72 OE1 GLU A 4 13.093 0.187 12.654 1.00 0.00 O ATOM 73 OE2 GLU A 4 13.374 1.810 14.043 1.00 0.00 O ATOM 0 H GLU A 4 11.596 4.767 9.677 1.00 0.00 H new ATOM 0 HA GLU A 4 12.501 2.468 8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.352 0.784 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.829 1.720 10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.007 3.317 12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.444 2.526 12.063 1.00 0.00 H new ATOM 80 N GLU A 5 9.853 3.186 8.672 1.00 0.00 N ATOM 81 CA GLU A 5 8.377 2.991 8.662 1.00 0.00 C ATOM 82 C GLU A 5 7.906 2.602 7.263 1.00 0.00 C ATOM 83 O GLU A 5 6.946 1.875 7.105 1.00 0.00 O ATOM 84 CB GLU A 5 7.684 4.272 9.082 1.00 0.00 C ATOM 85 CG GLU A 5 6.630 3.965 10.147 1.00 0.00 C ATOM 86 CD GLU A 5 7.311 3.790 11.505 1.00 0.00 C ATOM 87 OE1 GLU A 5 8.286 3.060 11.567 1.00 0.00 O ATOM 88 OE2 GLU A 5 6.845 4.388 12.460 1.00 0.00 O ATOM 0 H GLU A 5 10.207 3.889 8.023 1.00 0.00 H new ATOM 0 HA GLU A 5 8.127 2.193 9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.414 4.980 9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.215 4.743 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.901 4.774 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.084 3.059 9.883 1.00 0.00 H new ATOM 95 N LEU A 6 8.553 3.094 6.243 1.00 0.00 N ATOM 96 CA LEU A 6 8.138 2.779 4.879 1.00 0.00 C ATOM 97 C LEU A 6 8.443 1.324 4.542 1.00 0.00 C ATOM 98 O LEU A 6 7.595 0.603 4.072 1.00 0.00 O ATOM 99 CB LEU A 6 8.914 3.698 3.976 1.00 0.00 C ATOM 100 CG LEU A 6 8.283 3.826 2.622 1.00 0.00 C ATOM 101 CD1 LEU A 6 8.818 2.725 1.706 1.00 0.00 C ATOM 102 CD2 LEU A 6 6.751 3.744 2.689 1.00 0.00 C ATOM 0 H LEU A 6 9.363 3.710 6.315 1.00 0.00 H new ATOM 0 HA LEU A 6 7.063 2.916 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.985 4.683 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.932 3.323 3.867 1.00 0.00 H new ATOM 0 HG LEU A 6 8.542 4.807 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.360 2.817 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.900 2.822 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.576 1.750 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.337 3.842 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.456 2.783 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.371 4.549 3.318 1.00 0.00 H new ATOM 114 N LYS A 7 9.642 0.871 4.779 1.00 0.00 N ATOM 115 CA LYS A 7 9.950 -0.547 4.465 1.00 0.00 C ATOM 116 C LYS A 7 9.057 -1.447 5.326 1.00 0.00 C ATOM 117 O LYS A 7 8.971 -2.641 5.114 1.00 0.00 O ATOM 118 CB LYS A 7 11.420 -0.829 4.770 1.00 0.00 C ATOM 119 CG LYS A 7 12.011 -1.717 3.671 1.00 0.00 C ATOM 120 CD LYS A 7 13.530 -1.804 3.844 1.00 0.00 C ATOM 121 CE LYS A 7 14.141 -2.545 2.653 1.00 0.00 C ATOM 122 NZ LYS A 7 14.908 -3.725 3.144 1.00 0.00 N ATOM 0 H LYS A 7 10.411 1.414 5.171 1.00 0.00 H new ATOM 0 HA LYS A 7 9.763 -0.746 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.975 0.107 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.513 -1.321 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.572 -2.713 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.769 -1.309 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.955 -0.803 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.771 -2.324 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.356 -2.867 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.797 -1.878 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.324 -4.230 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.666 -3.406 3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.270 -4.364 3.660 1.00 0.00 H new ATOM 136 N GLY A 8 8.393 -0.879 6.301 1.00 0.00 N ATOM 137 CA GLY A 8 7.509 -1.688 7.184 1.00 0.00 C ATOM 138 C GLY A 8 6.348 -2.282 6.384 1.00 0.00 C ATOM 139 O GLY A 8 6.215 -3.483 6.291 1.00 0.00 O ATOM 0 H GLY A 8 8.428 0.116 6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.084 -2.488 7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.121 -1.064 7.990 1.00 0.00 H new ATOM 143 N ILE A 9 5.493 -1.471 5.814 1.00 0.00 N ATOM 144 CA ILE A 9 4.360 -2.030 5.048 1.00 0.00 C ATOM 145 C ILE A 9 4.841 -3.148 4.134 1.00 0.00 C ATOM 146 O ILE A 9 4.447 -4.281 4.262 1.00 0.00 O ATOM 147 CB ILE A 9 3.742 -0.918 4.218 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.746 -1.506 3.234 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.817 -0.144 3.474 1.00 0.00 C ATOM 150 CD1 ILE A 9 1.363 -1.096 3.691 1.00 0.00 C ATOM 0 H ILE A 9 5.537 -0.453 5.850 1.00 0.00 H new ATOM 0 HA ILE A 9 3.621 -2.441 5.735 1.00 0.00 H new ATOM 0 HB ILE A 9 3.224 -0.229 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.941 -1.141 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.833 -2.592 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.354 0.648 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.511 0.295 4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.359 -0.819 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.618 -1.501 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.182 -1.482 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.291 -0.008 3.703 1.00 0.00 H new ATOM 162 N PHE A 10 5.686 -2.845 3.210 1.00 0.00 N ATOM 163 CA PHE A 10 6.168 -3.900 2.301 1.00 0.00 C ATOM 164 C PHE A 10 6.473 -5.216 3.034 1.00 0.00 C ATOM 165 O PHE A 10 5.646 -6.098 3.110 1.00 0.00 O ATOM 166 CB PHE A 10 7.382 -3.395 1.525 1.00 0.00 C ATOM 167 CG PHE A 10 7.040 -3.278 0.071 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.755 -2.926 -0.355 1.00 0.00 C ATOM 169 CD2 PHE A 10 8.024 -3.605 -0.860 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.464 -2.908 -1.724 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.739 -3.574 -2.216 1.00 0.00 C ATOM 172 CZ PHE A 10 6.464 -3.234 -2.651 1.00 0.00 C ATOM 0 H PHE A 10 6.065 -1.913 3.043 1.00 0.00 H new ATOM 0 HA PHE A 10 5.367 -4.129 1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.697 -2.426 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.220 -4.079 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.993 -2.670 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.012 -3.883 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.474 -2.644 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.508 -3.814 -2.935 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.242 -3.221 -3.708 1.00 0.00 H new ATOM 182 N GLU A 11 7.635 -5.367 3.572 1.00 0.00 N ATOM 183 CA GLU A 11 7.964 -6.643 4.283 1.00 0.00 C ATOM 184 C GLU A 11 6.804 -7.045 5.201 1.00 0.00 C ATOM 185 O GLU A 11 6.673 -8.186 5.598 1.00 0.00 O ATOM 186 CB GLU A 11 9.228 -6.440 5.120 1.00 0.00 C ATOM 187 CG GLU A 11 10.457 -6.478 4.211 1.00 0.00 C ATOM 188 CD GLU A 11 11.722 -6.458 5.068 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.593 -6.325 6.275 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.798 -6.574 4.505 1.00 0.00 O ATOM 0 H GLU A 11 8.380 -4.671 3.558 1.00 0.00 H new ATOM 0 HA GLU A 11 8.128 -7.433 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.180 -5.485 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.301 -7.217 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.438 -7.375 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.449 -5.624 3.534 1.00 0.00 H new ATOM 197 N LYS A 12 5.968 -6.108 5.537 1.00 0.00 N ATOM 198 CA LYS A 12 4.804 -6.398 6.430 1.00 0.00 C ATOM 199 C LYS A 12 3.629 -6.922 5.603 1.00 0.00 C ATOM 200 O LYS A 12 3.427 -8.113 5.463 1.00 0.00 O ATOM 201 CB LYS A 12 4.391 -5.118 7.160 1.00 0.00 C ATOM 202 CG LYS A 12 3.133 -5.386 7.989 1.00 0.00 C ATOM 203 CD LYS A 12 3.406 -5.060 9.458 1.00 0.00 C ATOM 204 CE LYS A 12 4.385 -6.082 10.037 1.00 0.00 C ATOM 205 NZ LYS A 12 5.767 -5.527 9.993 1.00 0.00 N ATOM 0 H LYS A 12 6.038 -5.138 5.229 1.00 0.00 H new ATOM 0 HA LYS A 12 5.090 -7.156 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.200 -4.778 7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.202 -4.321 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.306 -4.780 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.834 -6.429 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.819 -4.055 9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.474 -5.073 10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.111 -6.323 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.336 -7.011 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.277 -5.796 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.267 -5.907 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.723 -4.490 9.926 1.00 0.00 H new ATOM 219 N TYR A 13 2.841 -6.026 5.067 1.00 0.00 N ATOM 220 CA TYR A 13 1.663 -6.433 4.262 1.00 0.00 C ATOM 221 C TYR A 13 2.116 -6.920 2.884 1.00 0.00 C ATOM 222 O TYR A 13 1.511 -7.805 2.313 1.00 0.00 O ATOM 223 CB TYR A 13 0.744 -5.222 4.096 1.00 0.00 C ATOM 224 CG TYR A 13 0.616 -4.501 5.419 1.00 0.00 C ATOM 225 CD1 TYR A 13 -0.253 -4.986 6.402 1.00 0.00 C ATOM 226 CD2 TYR A 13 1.367 -3.344 5.658 1.00 0.00 C ATOM 227 CE1 TYR A 13 -0.370 -4.316 7.627 1.00 0.00 C ATOM 228 CE2 TYR A 13 1.250 -2.672 6.883 1.00 0.00 C ATOM 229 CZ TYR A 13 0.381 -3.159 7.867 1.00 0.00 C ATOM 230 OH TYR A 13 0.267 -2.499 9.073 1.00 0.00 O ATOM 0 H TYR A 13 2.970 -5.018 5.157 1.00 0.00 H new ATOM 0 HA TYR A 13 1.134 -7.242 4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.146 -4.548 3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.238 -5.542 3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.834 -5.877 6.217 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.037 -2.969 4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.040 -4.692 8.386 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.830 -1.780 7.067 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.620 -2.666 9.455 1.00 0.00 H new ATOM 240 N ALA A 14 3.180 -6.383 2.341 1.00 0.00 N ATOM 241 CA ALA A 14 3.630 -6.894 1.011 1.00 0.00 C ATOM 242 C ALA A 14 4.100 -8.336 1.208 1.00 0.00 C ATOM 243 O ALA A 14 4.197 -9.106 0.276 1.00 0.00 O ATOM 244 CB ALA A 14 4.788 -6.042 0.448 1.00 0.00 C ATOM 0 H ALA A 14 3.742 -5.635 2.747 1.00 0.00 H new ATOM 0 HA ALA A 14 2.807 -6.841 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.094 -6.438 -0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.457 -5.010 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.632 -6.075 1.137 1.00 0.00 H new ATOM 250 N ASP A 15 4.405 -8.697 2.432 1.00 0.00 N ATOM 251 CA ASP A 15 4.889 -10.078 2.719 1.00 0.00 C ATOM 252 C ASP A 15 3.694 -10.979 3.038 1.00 0.00 C ATOM 253 O ASP A 15 3.814 -12.186 3.107 1.00 0.00 O ATOM 254 CB ASP A 15 5.820 -10.055 3.935 1.00 0.00 C ATOM 255 CG ASP A 15 6.519 -11.411 4.061 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.481 -12.165 3.102 1.00 0.00 O ATOM 257 OD2 ASP A 15 7.076 -11.672 5.115 1.00 0.00 O ATOM 0 H ASP A 15 4.338 -8.088 3.247 1.00 0.00 H new ATOM 0 HA ASP A 15 5.424 -10.457 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.559 -9.261 3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.251 -9.841 4.840 1.00 0.00 H new ATOM 262 N LYS A 16 2.549 -10.395 3.257 1.00 0.00 N ATOM 263 CA LYS A 16 1.346 -11.203 3.597 1.00 0.00 C ATOM 264 C LYS A 16 0.939 -12.072 2.406 1.00 0.00 C ATOM 265 O LYS A 16 0.241 -13.054 2.559 1.00 0.00 O ATOM 266 CB LYS A 16 0.197 -10.263 3.958 1.00 0.00 C ATOM 267 CG LYS A 16 -0.374 -10.654 5.322 1.00 0.00 C ATOM 268 CD LYS A 16 0.524 -10.093 6.427 1.00 0.00 C ATOM 269 CE LYS A 16 0.554 -11.068 7.605 1.00 0.00 C ATOM 270 NZ LYS A 16 -0.832 -11.277 8.111 1.00 0.00 N ATOM 0 H LYS A 16 2.395 -9.388 3.215 1.00 0.00 H new ATOM 0 HA LYS A 16 1.576 -11.850 4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.550 -9.232 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.582 -10.315 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.387 -10.267 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.437 -11.739 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.533 -9.936 6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.152 -9.122 6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.986 -12.019 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.188 -10.675 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.795 -11.724 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.317 -10.360 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.352 -11.893 7.454 1.00 0.00 H new ATOM 284 N GLU A 17 1.362 -11.726 1.222 1.00 0.00 N ATOM 285 CA GLU A 17 0.980 -12.553 0.041 1.00 0.00 C ATOM 286 C GLU A 17 2.109 -13.539 -0.286 1.00 0.00 C ATOM 287 O GLU A 17 2.044 -14.273 -1.252 1.00 0.00 O ATOM 288 CB GLU A 17 0.673 -11.636 -1.160 1.00 0.00 C ATOM 289 CG GLU A 17 1.892 -11.497 -2.084 1.00 0.00 C ATOM 290 CD GLU A 17 2.990 -10.706 -1.374 1.00 0.00 C ATOM 291 OE1 GLU A 17 3.563 -11.236 -0.437 1.00 0.00 O ATOM 292 OE2 GLU A 17 3.239 -9.585 -1.781 1.00 0.00 O ATOM 0 H GLU A 17 1.949 -10.916 1.021 1.00 0.00 H new ATOM 0 HA GLU A 17 0.082 -13.127 0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.168 -12.040 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.372 -10.652 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.263 -12.483 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.605 -10.992 -3.006 1.00 0.00 H new ATOM 299 N GLY A 18 3.140 -13.563 0.513 1.00 0.00 N ATOM 300 CA GLY A 18 4.265 -14.503 0.250 1.00 0.00 C ATOM 301 C GLY A 18 5.437 -13.747 -0.375 1.00 0.00 C ATOM 302 O GLY A 18 5.931 -14.112 -1.424 1.00 0.00 O ATOM 0 H GLY A 18 3.252 -12.972 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.580 -14.976 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.937 -15.300 -0.418 1.00 0.00 H new ATOM 306 N ASP A 19 5.896 -12.701 0.257 1.00 0.00 N ATOM 307 CA ASP A 19 7.043 -11.943 -0.319 1.00 0.00 C ATOM 308 C ASP A 19 7.407 -10.750 0.570 1.00 0.00 C ATOM 309 O ASP A 19 8.274 -10.841 1.417 1.00 0.00 O ATOM 310 CB ASP A 19 6.685 -11.471 -1.733 1.00 0.00 C ATOM 311 CG ASP A 19 7.898 -11.635 -2.652 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.897 -10.978 -2.406 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.807 -12.413 -3.588 1.00 0.00 O ATOM 0 H ASP A 19 5.531 -12.341 1.139 1.00 0.00 H new ATOM 0 HA ASP A 19 7.912 -12.599 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.844 -12.048 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.372 -10.427 -1.710 1.00 0.00 H new ATOM 318 N GLY A 20 6.786 -9.627 0.366 1.00 0.00 N ATOM 319 CA GLY A 20 7.132 -8.424 1.173 1.00 0.00 C ATOM 320 C GLY A 20 7.699 -7.382 0.222 1.00 0.00 C ATOM 321 O GLY A 20 7.886 -6.235 0.576 1.00 0.00 O ATOM 0 H GLY A 20 6.051 -9.487 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.249 -8.038 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.860 -8.676 1.944 1.00 0.00 H new ATOM 325 N ASN A 21 7.988 -7.780 -0.991 1.00 0.00 N ATOM 326 CA ASN A 21 8.552 -6.830 -1.958 1.00 0.00 C ATOM 327 C ASN A 21 7.477 -6.345 -2.960 1.00 0.00 C ATOM 328 O ASN A 21 7.754 -5.546 -3.833 1.00 0.00 O ATOM 329 CB ASN A 21 9.693 -7.531 -2.697 1.00 0.00 C ATOM 330 CG ASN A 21 11.011 -7.246 -1.983 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.900 -6.632 -2.538 1.00 0.00 O ATOM 332 ND2 ASN A 21 11.173 -7.675 -0.764 1.00 0.00 N ATOM 0 H ASN A 21 7.852 -8.728 -1.341 1.00 0.00 H new ATOM 0 HA ASN A 21 8.922 -5.949 -1.433 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.511 -8.605 -2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.742 -7.181 -3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.049 -7.496 -0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.424 -8.190 -0.301 1.00 0.00 H new ATOM 339 N GLN A 22 6.251 -6.807 -2.840 1.00 0.00 N ATOM 340 CA GLN A 22 5.163 -6.349 -3.774 1.00 0.00 C ATOM 341 C GLN A 22 3.850 -6.242 -2.988 1.00 0.00 C ATOM 342 O GLN A 22 3.665 -6.896 -1.983 1.00 0.00 O ATOM 343 CB GLN A 22 4.984 -7.322 -4.949 1.00 0.00 C ATOM 344 CG GLN A 22 6.233 -8.191 -5.133 1.00 0.00 C ATOM 345 CD GLN A 22 6.040 -9.519 -4.402 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.697 -10.496 -4.706 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.156 -9.599 -3.444 1.00 0.00 N ATOM 0 H GLN A 22 5.955 -7.482 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 22 5.442 -5.379 -4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.117 -7.958 -4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.787 -6.762 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.412 -8.370 -6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.110 -7.673 -4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.605 -8.780 -3.189 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.017 -10.481 -2.951 1.00 0.00 H new ATOM 356 N LEU A 23 2.959 -5.382 -3.407 1.00 0.00 N ATOM 357 CA LEU A 23 1.692 -5.190 -2.643 1.00 0.00 C ATOM 358 C LEU A 23 0.438 -5.482 -3.477 1.00 0.00 C ATOM 359 O LEU A 23 0.499 -5.933 -4.600 1.00 0.00 O ATOM 360 CB LEU A 23 1.655 -3.732 -2.204 1.00 0.00 C ATOM 361 CG LEU A 23 2.115 -3.653 -0.759 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.232 -2.191 -0.331 1.00 0.00 C ATOM 363 CD2 LEU A 23 1.106 -4.371 0.134 1.00 0.00 C ATOM 0 H LEU A 23 3.054 -4.806 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 23 1.684 -5.887 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.301 -3.128 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.646 -3.332 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 23 3.090 -4.131 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.562 -2.141 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.956 -1.682 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.261 -1.705 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.434 -4.315 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.130 -3.895 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.032 -5.416 -0.168 1.00 0.00 H new ATOM 375 N SER A 24 -0.711 -5.210 -2.902 1.00 0.00 N ATOM 376 CA SER A 24 -1.993 -5.415 -3.573 1.00 0.00 C ATOM 377 C SER A 24 -2.981 -4.449 -2.908 1.00 0.00 C ATOM 378 O SER A 24 -2.608 -3.674 -2.050 1.00 0.00 O ATOM 379 CB SER A 24 -2.435 -6.858 -3.373 1.00 0.00 C ATOM 380 OG SER A 24 -1.310 -7.646 -3.006 1.00 0.00 O ATOM 0 H SER A 24 -0.793 -4.840 -1.955 1.00 0.00 H new ATOM 0 HA SER A 24 -1.933 -5.229 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.200 -6.912 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.881 -7.244 -4.289 1.00 0.00 H new ATOM 0 HG SER A 24 -1.591 -8.576 -2.875 1.00 0.00 H new ATOM 386 N LYS A 25 -4.218 -4.471 -3.284 1.00 0.00 N ATOM 387 CA LYS A 25 -5.197 -3.534 -2.660 1.00 0.00 C ATOM 388 C LYS A 25 -5.668 -4.075 -1.306 1.00 0.00 C ATOM 389 O LYS A 25 -6.139 -3.334 -0.466 1.00 0.00 O ATOM 390 CB LYS A 25 -6.400 -3.355 -3.582 1.00 0.00 C ATOM 391 CG LYS A 25 -6.842 -1.890 -3.559 1.00 0.00 C ATOM 392 CD LYS A 25 -7.779 -1.617 -4.736 1.00 0.00 C ATOM 393 CE LYS A 25 -8.972 -2.572 -4.670 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.807 -2.242 -3.480 1.00 0.00 N ATOM 0 H LYS A 25 -4.602 -5.093 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.708 -2.572 -2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.141 -3.653 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.218 -3.999 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.348 -1.667 -2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.972 -1.236 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.125 -0.584 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.246 -1.749 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.567 -2.491 -5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.623 -3.603 -4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.728 -2.719 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.324 -2.563 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.953 -1.213 -3.433 1.00 0.00 H new ATOM 408 N GLU A 26 -5.557 -5.357 -1.084 1.00 0.00 N ATOM 409 CA GLU A 26 -6.011 -5.925 0.214 1.00 0.00 C ATOM 410 C GLU A 26 -4.938 -5.703 1.282 1.00 0.00 C ATOM 411 O GLU A 26 -5.087 -6.117 2.414 1.00 0.00 O ATOM 412 CB GLU A 26 -6.268 -7.426 0.053 1.00 0.00 C ATOM 413 CG GLU A 26 -4.980 -8.128 -0.385 1.00 0.00 C ATOM 414 CD GLU A 26 -5.331 -9.405 -1.152 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.282 -10.063 -0.762 1.00 0.00 O ATOM 416 OE2 GLU A 26 -4.644 -9.703 -2.115 1.00 0.00 O ATOM 0 H GLU A 26 -5.172 -6.032 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.931 -5.428 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.620 -7.847 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.053 -7.593 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.387 -7.464 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.371 -8.370 0.486 1.00 0.00 H new ATOM 423 N GLU A 27 -3.855 -5.064 0.934 1.00 0.00 N ATOM 424 CA GLU A 27 -2.780 -4.833 1.945 1.00 0.00 C ATOM 425 C GLU A 27 -2.417 -3.347 1.999 1.00 0.00 C ATOM 426 O GLU A 27 -1.516 -2.949 2.712 1.00 0.00 O ATOM 427 CB GLU A 27 -1.528 -5.653 1.593 1.00 0.00 C ATOM 428 CG GLU A 27 -1.734 -6.407 0.274 1.00 0.00 C ATOM 429 CD GLU A 27 -0.702 -7.531 0.159 1.00 0.00 C ATOM 430 OE1 GLU A 27 0.400 -7.255 -0.285 1.00 0.00 O ATOM 431 OE2 GLU A 27 -1.033 -8.650 0.519 1.00 0.00 O ATOM 0 H GLU A 27 -3.667 -4.694 0.002 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.151 -5.150 2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.665 -4.993 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.312 -6.361 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.742 -6.820 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.635 -5.722 -0.568 1.00 0.00 H new ATOM 438 N LEU A 28 -3.125 -2.516 1.286 1.00 0.00 N ATOM 439 CA LEU A 28 -2.841 -1.068 1.331 1.00 0.00 C ATOM 440 C LEU A 28 -3.728 -0.515 2.444 1.00 0.00 C ATOM 441 O LEU A 28 -3.314 0.261 3.277 1.00 0.00 O ATOM 442 CB LEU A 28 -3.175 -0.485 -0.049 1.00 0.00 C ATOM 443 CG LEU A 28 -3.891 0.857 0.072 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.913 1.924 0.569 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.435 1.268 -1.300 1.00 0.00 C ATOM 0 H LEU A 28 -3.893 -2.787 0.671 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.801 -0.817 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.258 -0.359 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.803 -1.186 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.713 0.763 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.430 2.880 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.524 1.634 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.088 2.019 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.947 2.227 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.610 1.358 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.136 0.512 -1.655 1.00 0.00 H new ATOM 457 N LYS A 29 -4.936 -0.986 2.483 1.00 0.00 N ATOM 458 CA LYS A 29 -5.881 -0.626 3.519 1.00 0.00 C ATOM 459 C LYS A 29 -5.249 -0.896 4.887 1.00 0.00 C ATOM 460 O LYS A 29 -5.193 -0.038 5.739 1.00 0.00 O ATOM 461 CB LYS A 29 -7.052 -1.548 3.320 1.00 0.00 C ATOM 462 CG LYS A 29 -8.043 -1.241 4.399 1.00 0.00 C ATOM 463 CD LYS A 29 -9.406 -1.790 4.007 1.00 0.00 C ATOM 464 CE LYS A 29 -9.914 -2.753 5.108 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.036 -3.575 4.569 1.00 0.00 N ATOM 0 H LYS A 29 -5.307 -1.639 1.793 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.171 0.424 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.496 -1.400 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.735 -2.590 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.719 -1.682 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.104 -0.164 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.113 -0.972 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.338 -2.315 3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.103 -3.400 5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.249 -2.186 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.378 -4.222 5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.812 -2.950 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.702 -4.127 3.753 1.00 0.00 H new ATOM 479 N LEU A 30 -4.774 -2.097 5.099 1.00 0.00 N ATOM 480 CA LEU A 30 -4.145 -2.433 6.409 1.00 0.00 C ATOM 481 C LEU A 30 -3.080 -1.389 6.753 1.00 0.00 C ATOM 482 O LEU A 30 -2.788 -1.140 7.906 1.00 0.00 O ATOM 483 CB LEU A 30 -3.489 -3.814 6.320 1.00 0.00 C ATOM 484 CG LEU A 30 -4.547 -4.898 6.527 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.077 -4.831 7.960 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.700 -4.675 5.547 1.00 0.00 C ATOM 0 H LEU A 30 -4.795 -2.858 4.421 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.911 -2.439 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.011 -3.939 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.707 -3.906 7.074 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.102 -5.877 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.831 -5.604 8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.256 -4.989 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.522 -3.852 8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.456 -5.447 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.143 -3.695 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.324 -4.724 4.525 1.00 0.00 H new ATOM 498 N LEU A 31 -2.491 -0.780 5.758 1.00 0.00 N ATOM 499 CA LEU A 31 -1.440 0.247 6.025 1.00 0.00 C ATOM 500 C LEU A 31 -2.013 1.359 6.885 1.00 0.00 C ATOM 501 O LEU A 31 -1.672 1.509 8.038 1.00 0.00 O ATOM 502 CB LEU A 31 -0.975 0.866 4.711 1.00 0.00 C ATOM 503 CG LEU A 31 0.052 1.971 4.988 1.00 0.00 C ATOM 504 CD1 LEU A 31 1.136 1.466 5.945 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.698 2.397 3.673 1.00 0.00 C ATOM 0 H LEU A 31 -2.692 -0.949 4.772 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.606 -0.237 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.534 0.099 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.828 1.277 4.171 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.456 2.819 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.857 2.262 6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.678 1.164 6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.646 0.612 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.429 3.183 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.196 1.541 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.069 2.772 2.996 1.00 0.00 H new ATOM 517 N LEU A 32 -2.870 2.154 6.314 1.00 0.00 N ATOM 518 CA LEU A 32 -3.466 3.276 7.075 1.00 0.00 C ATOM 519 C LEU A 32 -4.174 2.754 8.321 1.00 0.00 C ATOM 520 O LEU A 32 -4.040 3.289 9.390 1.00 0.00 O ATOM 521 CB LEU A 32 -4.433 4.010 6.204 1.00 0.00 C ATOM 522 CG LEU A 32 -5.256 2.996 5.484 1.00 0.00 C ATOM 523 CD1 LEU A 32 -6.696 3.299 5.793 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.964 3.099 4.003 1.00 0.00 C ATOM 0 H LEU A 32 -3.183 2.072 5.347 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.674 3.956 7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.068 4.662 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.903 4.645 5.495 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.028 1.977 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.337 2.579 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.859 3.234 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.938 4.305 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.559 2.363 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.217 4.099 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.905 2.909 3.827 1.00 0.00 H new ATOM 536 N GLN A 33 -4.930 1.712 8.217 1.00 0.00 N ATOM 537 CA GLN A 33 -5.614 1.216 9.444 1.00 0.00 C ATOM 538 C GLN A 33 -4.567 0.991 10.533 1.00 0.00 C ATOM 539 O GLN A 33 -4.849 1.090 11.711 1.00 0.00 O ATOM 540 CB GLN A 33 -6.358 -0.088 9.149 1.00 0.00 C ATOM 541 CG GLN A 33 -7.603 0.214 8.311 1.00 0.00 C ATOM 542 CD GLN A 33 -8.829 -0.433 8.960 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.397 0.111 9.887 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.266 -1.576 8.507 1.00 0.00 N ATOM 0 H GLN A 33 -5.107 1.187 7.361 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.343 1.954 9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.706 -0.779 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.643 -0.575 10.081 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.747 1.291 8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.472 -0.166 7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.789 -2.032 7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.084 -2.013 8.931 1.00 0.00 H new ATOM 553 N THR A 34 -3.355 0.713 10.147 1.00 0.00 N ATOM 554 CA THR A 34 -2.284 0.509 11.158 1.00 0.00 C ATOM 555 C THR A 34 -1.682 1.870 11.518 1.00 0.00 C ATOM 556 O THR A 34 -1.195 2.076 12.611 1.00 0.00 O ATOM 557 CB THR A 34 -1.191 -0.399 10.583 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.705 -1.714 10.408 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.002 -0.435 11.543 1.00 0.00 C ATOM 0 H THR A 34 -3.060 0.618 9.175 1.00 0.00 H new ATOM 0 HA THR A 34 -2.703 0.038 12.048 1.00 0.00 H new ATOM 0 HB THR A 34 -0.866 -0.009 9.618 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.219 -1.756 9.574 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.776 -1.081 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.393 0.573 11.671 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.326 -0.823 12.509 1.00 0.00 H new ATOM 567 N GLU A 35 -1.711 2.802 10.601 1.00 0.00 N ATOM 568 CA GLU A 35 -1.140 4.149 10.890 1.00 0.00 C ATOM 569 C GLU A 35 -2.257 5.208 10.915 1.00 0.00 C ATOM 570 O GLU A 35 -2.432 5.895 11.902 1.00 0.00 O ATOM 571 CB GLU A 35 -0.089 4.507 9.828 1.00 0.00 C ATOM 572 CG GLU A 35 0.783 3.283 9.538 1.00 0.00 C ATOM 573 CD GLU A 35 1.867 3.161 10.610 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.905 3.781 10.447 1.00 0.00 O ATOM 575 OE2 GLU A 35 1.642 2.450 11.576 1.00 0.00 O ATOM 0 H GLU A 35 -2.105 2.688 9.667 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.662 4.129 11.869 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.580 4.842 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.530 5.333 10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.170 2.382 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.240 3.375 8.553 1.00 0.00 H new ATOM 582 N PHE A 36 -3.012 5.365 9.850 1.00 0.00 N ATOM 583 CA PHE A 36 -4.093 6.397 9.862 1.00 0.00 C ATOM 584 C PHE A 36 -5.319 5.870 9.095 1.00 0.00 C ATOM 585 O PHE A 36 -5.557 6.282 7.978 1.00 0.00 O ATOM 586 CB PHE A 36 -3.605 7.660 9.133 1.00 0.00 C ATOM 587 CG PHE A 36 -2.109 7.606 8.937 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.586 6.885 7.857 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.252 8.266 9.821 1.00 0.00 C ATOM 590 CE1 PHE A 36 -0.205 6.823 7.658 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.134 8.204 9.622 1.00 0.00 C ATOM 592 CZ PHE A 36 0.658 7.483 8.540 1.00 0.00 C ATOM 0 H PHE A 36 -2.926 4.830 8.986 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.351 6.620 10.897 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.102 7.746 8.167 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.872 8.546 9.709 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.252 6.376 7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.656 8.822 10.654 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.196 6.266 6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.800 8.713 10.304 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.726 7.437 8.387 1.00 0.00 H new ATOM 602 N PRO A 37 -6.066 4.985 9.701 1.00 0.00 N ATOM 603 CA PRO A 37 -7.264 4.414 9.057 1.00 0.00 C ATOM 604 C PRO A 37 -8.245 5.508 8.630 1.00 0.00 C ATOM 605 O PRO A 37 -9.064 5.303 7.764 1.00 0.00 O ATOM 606 CB PRO A 37 -7.913 3.541 10.138 1.00 0.00 C ATOM 607 CG PRO A 37 -6.969 3.535 11.367 1.00 0.00 C ATOM 608 CD PRO A 37 -5.799 4.482 11.059 1.00 0.00 C ATOM 0 HA PRO A 37 -7.001 3.858 8.157 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.893 3.934 10.410 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.067 2.527 9.769 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.501 3.862 12.260 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.604 2.527 11.565 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.751 5.298 11.780 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.844 3.958 11.106 1.00 0.00 H new ATOM 616 N SER A 38 -8.209 6.648 9.260 1.00 0.00 N ATOM 617 CA SER A 38 -9.195 7.709 8.905 1.00 0.00 C ATOM 618 C SER A 38 -8.797 8.493 7.650 1.00 0.00 C ATOM 619 O SER A 38 -9.586 8.627 6.735 1.00 0.00 O ATOM 620 CB SER A 38 -9.344 8.677 10.079 1.00 0.00 C ATOM 621 OG SER A 38 -8.128 8.716 10.813 1.00 0.00 O ATOM 0 H SER A 38 -7.548 6.891 9.998 1.00 0.00 H new ATOM 0 HA SER A 38 -10.141 7.211 8.690 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.594 9.673 9.714 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.162 8.360 10.725 1.00 0.00 H new ATOM 0 HG SER A 38 -8.220 9.337 11.565 1.00 0.00 H new ATOM 627 N LEU A 39 -7.611 9.044 7.597 1.00 0.00 N ATOM 628 CA LEU A 39 -7.228 9.844 6.392 1.00 0.00 C ATOM 629 C LEU A 39 -7.695 9.130 5.118 1.00 0.00 C ATOM 630 O LEU A 39 -7.913 9.749 4.095 1.00 0.00 O ATOM 631 CB LEU A 39 -5.703 10.102 6.391 1.00 0.00 C ATOM 632 CG LEU A 39 -5.057 9.717 5.052 1.00 0.00 C ATOM 633 CD1 LEU A 39 -3.746 10.487 4.883 1.00 0.00 C ATOM 634 CD2 LEU A 39 -4.766 8.215 5.042 1.00 0.00 C ATOM 0 H LEU A 39 -6.899 8.977 8.325 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.723 10.814 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.513 11.156 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.238 9.532 7.195 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.735 9.963 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.285 10.216 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.949 11.558 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.069 10.236 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.307 7.940 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.086 7.971 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.697 7.663 5.169 1.00 0.00 H new ATOM 646 N LEU A 40 -7.869 7.846 5.175 1.00 0.00 N ATOM 647 CA LEU A 40 -8.342 7.111 3.972 1.00 0.00 C ATOM 648 C LEU A 40 -9.042 5.815 4.393 1.00 0.00 C ATOM 649 O LEU A 40 -8.423 4.911 4.903 1.00 0.00 O ATOM 650 CB LEU A 40 -7.149 6.841 3.040 1.00 0.00 C ATOM 651 CG LEU A 40 -6.694 5.373 3.085 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.751 4.461 2.445 1.00 0.00 C ATOM 653 CD2 LEU A 40 -5.403 5.254 2.292 1.00 0.00 C ATOM 0 H LEU A 40 -7.705 7.271 6.001 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.069 7.713 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.423 7.103 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.317 7.486 3.323 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.550 5.070 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.411 3.426 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.691 4.556 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.902 4.752 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.059 4.220 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.580 5.561 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.643 5.896 2.736 1.00 0.00 H new ATOM 665 N LYS A 41 -10.325 5.712 4.173 1.00 0.00 N ATOM 666 CA LYS A 41 -11.043 4.472 4.547 1.00 0.00 C ATOM 667 C LYS A 41 -12.557 4.741 4.483 1.00 0.00 C ATOM 668 O LYS A 41 -13.057 5.624 5.150 1.00 0.00 O ATOM 669 CB LYS A 41 -10.647 4.076 5.968 1.00 0.00 C ATOM 670 CG LYS A 41 -11.603 3.014 6.477 1.00 0.00 C ATOM 671 CD LYS A 41 -12.842 3.706 7.035 1.00 0.00 C ATOM 672 CE LYS A 41 -13.301 2.998 8.312 1.00 0.00 C ATOM 673 NZ LYS A 41 -14.567 2.261 8.043 1.00 0.00 N ATOM 0 H LYS A 41 -10.903 6.438 3.749 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.786 3.663 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.625 3.698 5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.673 4.948 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.879 2.335 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.124 2.413 7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.621 4.752 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.641 3.694 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.531 2.307 8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.453 3.725 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.879 1.780 8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.300 2.931 7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.406 1.557 7.295 1.00 0.00 H new ATOM 687 N GLY A 42 -13.294 3.998 3.695 1.00 0.00 N ATOM 688 CA GLY A 42 -14.763 4.241 3.617 1.00 0.00 C ATOM 689 C GLY A 42 -15.065 5.141 2.419 1.00 0.00 C ATOM 690 O GLY A 42 -15.524 4.686 1.389 1.00 0.00 O ATOM 0 H GLY A 42 -12.944 3.241 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.295 3.295 3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.115 4.710 4.536 1.00 0.00 H new ATOM 694 N MET A 43 -14.805 6.415 2.540 1.00 0.00 N ATOM 695 CA MET A 43 -15.071 7.339 1.401 1.00 0.00 C ATOM 696 C MET A 43 -13.777 8.040 0.963 1.00 0.00 C ATOM 697 O MET A 43 -12.794 8.035 1.677 1.00 0.00 O ATOM 698 CB MET A 43 -16.107 8.394 1.813 1.00 0.00 C ATOM 699 CG MET A 43 -17.443 8.076 1.151 1.00 0.00 C ATOM 700 SD MET A 43 -18.753 8.059 2.400 1.00 0.00 S ATOM 701 CE MET A 43 -18.443 9.712 3.070 1.00 0.00 C ATOM 0 H MET A 43 -14.421 6.855 3.376 1.00 0.00 H new ATOM 0 HA MET A 43 -15.458 6.754 0.567 1.00 0.00 H new ATOM 0 HB2 MET A 43 -16.219 8.406 2.897 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.769 9.387 1.517 1.00 0.00 H new ATOM 0 HG2 MET A 43 -17.667 8.819 0.385 1.00 0.00 H new ATOM 0 HG3 MET A 43 -17.391 7.109 0.651 1.00 0.00 H new ATOM 0 HE1 MET A 43 -19.379 10.142 3.425 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.738 9.642 3.899 1.00 0.00 H new ATOM 0 HE3 MET A 43 -18.024 10.348 2.290 1.00 0.00 H new ATOM 711 N SER A 44 -13.765 8.653 -0.203 1.00 0.00 N ATOM 712 CA SER A 44 -12.542 9.347 -0.661 1.00 0.00 C ATOM 713 C SER A 44 -11.377 8.357 -0.728 1.00 0.00 C ATOM 714 O SER A 44 -11.336 7.380 -0.007 1.00 0.00 O ATOM 715 CB SER A 44 -12.200 10.479 0.307 1.00 0.00 C ATOM 716 OG SER A 44 -11.343 9.981 1.325 1.00 0.00 O ATOM 0 H SER A 44 -14.555 8.695 -0.847 1.00 0.00 H new ATOM 0 HA SER A 44 -12.717 9.762 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.714 11.296 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.111 10.884 0.748 1.00 0.00 H new ATOM 0 HG SER A 44 -11.840 9.359 1.896 1.00 0.00 H new ATOM 722 N THR A 45 -10.425 8.611 -1.584 1.00 0.00 N ATOM 723 CA THR A 45 -9.254 7.710 -1.709 1.00 0.00 C ATOM 724 C THR A 45 -9.687 6.239 -1.679 1.00 0.00 C ATOM 725 O THR A 45 -10.861 5.933 -1.736 1.00 0.00 O ATOM 726 CB THR A 45 -8.274 8.016 -0.583 1.00 0.00 C ATOM 727 OG1 THR A 45 -8.598 9.276 -0.009 1.00 0.00 O ATOM 728 CG2 THR A 45 -6.879 8.071 -1.183 1.00 0.00 C ATOM 0 H THR A 45 -10.413 9.417 -2.209 1.00 0.00 H new ATOM 0 HA THR A 45 -8.766 7.881 -2.668 1.00 0.00 H new ATOM 0 HB THR A 45 -8.324 7.251 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.971 9.476 0.717 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.154 8.289 -0.399 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.641 7.110 -1.640 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.840 8.853 -1.941 1.00 0.00 H new ATOM 736 N LEU A 46 -8.740 5.327 -1.647 1.00 0.00 N ATOM 737 CA LEU A 46 -9.081 3.873 -1.669 1.00 0.00 C ATOM 738 C LEU A 46 -9.270 3.458 -3.128 1.00 0.00 C ATOM 739 O LEU A 46 -9.477 2.303 -3.446 1.00 0.00 O ATOM 740 CB LEU A 46 -10.370 3.614 -0.885 1.00 0.00 C ATOM 741 CG LEU A 46 -10.301 2.232 -0.235 1.00 0.00 C ATOM 742 CD1 LEU A 46 -10.081 2.384 1.271 1.00 0.00 C ATOM 743 CD2 LEU A 46 -11.612 1.485 -0.484 1.00 0.00 C ATOM 0 H LEU A 46 -7.742 5.533 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.281 3.295 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.505 4.380 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.231 3.672 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.473 1.670 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.032 1.398 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.146 2.916 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.908 2.947 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.563 0.500 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.439 2.048 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.769 1.374 -1.557 1.00 0.00 H new ATOM 755 N ASP A 47 -9.203 4.413 -4.015 1.00 0.00 N ATOM 756 CA ASP A 47 -9.377 4.135 -5.459 1.00 0.00 C ATOM 757 C ASP A 47 -8.338 4.896 -6.283 1.00 0.00 C ATOM 758 O ASP A 47 -7.639 4.326 -7.097 1.00 0.00 O ATOM 759 CB ASP A 47 -10.748 4.605 -5.874 1.00 0.00 C ATOM 760 CG ASP A 47 -11.689 3.411 -6.032 1.00 0.00 C ATOM 761 OD1 ASP A 47 -11.230 2.377 -6.490 1.00 0.00 O ATOM 762 OD2 ASP A 47 -12.853 3.549 -5.695 1.00 0.00 O ATOM 0 H ASP A 47 -9.031 5.393 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.257 3.066 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.145 5.294 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.684 5.154 -6.814 1.00 0.00 H new ATOM 767 N GLU A 48 -8.233 6.184 -6.082 1.00 0.00 N ATOM 768 CA GLU A 48 -7.250 6.979 -6.848 1.00 0.00 C ATOM 769 C GLU A 48 -5.864 6.632 -6.349 1.00 0.00 C ATOM 770 O GLU A 48 -4.863 6.902 -6.982 1.00 0.00 O ATOM 771 CB GLU A 48 -7.530 8.448 -6.607 1.00 0.00 C ATOM 772 CG GLU A 48 -8.753 8.845 -7.424 1.00 0.00 C ATOM 773 CD GLU A 48 -9.152 10.283 -7.093 1.00 0.00 C ATOM 774 OE1 GLU A 48 -8.508 11.188 -7.597 1.00 0.00 O ATOM 775 OE2 GLU A 48 -10.097 10.456 -6.340 1.00 0.00 O ATOM 0 H GLU A 48 -8.793 6.715 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.320 6.764 -7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.706 8.632 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.669 9.051 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.536 8.754 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.581 8.169 -7.208 1.00 0.00 H new ATOM 782 N LEU A 49 -5.815 6.004 -5.220 1.00 0.00 N ATOM 783 CA LEU A 49 -4.517 5.587 -4.655 1.00 0.00 C ATOM 784 C LEU A 49 -4.090 4.335 -5.406 1.00 0.00 C ATOM 785 O LEU A 49 -2.927 3.994 -5.488 1.00 0.00 O ATOM 786 CB LEU A 49 -4.708 5.276 -3.174 1.00 0.00 C ATOM 787 CG LEU A 49 -3.446 5.658 -2.398 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.840 6.227 -1.033 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.575 4.416 -2.203 1.00 0.00 C ATOM 0 H LEU A 49 -6.630 5.759 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.760 6.365 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.565 5.825 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.921 4.216 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.887 6.410 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.942 6.499 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.462 7.111 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.398 5.476 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.675 4.686 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.133 3.665 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.296 4.011 -3.176 1.00 0.00 H new ATOM 801 N PHE A 50 -5.053 3.660 -5.969 1.00 0.00 N ATOM 802 CA PHE A 50 -4.773 2.428 -6.747 1.00 0.00 C ATOM 803 C PHE A 50 -4.331 2.817 -8.159 1.00 0.00 C ATOM 804 O PHE A 50 -3.465 2.197 -8.744 1.00 0.00 O ATOM 805 CB PHE A 50 -6.050 1.595 -6.824 1.00 0.00 C ATOM 806 CG PHE A 50 -5.738 0.253 -7.441 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.717 -0.542 -6.907 1.00 0.00 C ATOM 808 CD2 PHE A 50 -6.467 -0.193 -8.549 1.00 0.00 C ATOM 809 CE1 PHE A 50 -4.427 -1.785 -7.480 1.00 0.00 C ATOM 810 CE2 PHE A 50 -6.176 -1.437 -9.123 1.00 0.00 C ATOM 811 CZ PHE A 50 -5.156 -2.233 -8.588 1.00 0.00 C ATOM 0 H PHE A 50 -6.039 3.918 -5.920 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.984 1.850 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.470 1.460 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.801 2.115 -7.419 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.153 -0.196 -6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.254 0.422 -8.961 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.640 -2.399 -7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.738 -1.782 -9.978 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.932 -3.193 -9.030 1.00 0.00 H new ATOM 821 N GLU A 51 -4.922 3.846 -8.708 1.00 0.00 N ATOM 822 CA GLU A 51 -4.537 4.283 -10.079 1.00 0.00 C ATOM 823 C GLU A 51 -3.045 4.607 -10.087 1.00 0.00 C ATOM 824 O GLU A 51 -2.348 4.353 -11.049 1.00 0.00 O ATOM 825 CB GLU A 51 -5.331 5.535 -10.460 1.00 0.00 C ATOM 826 CG GLU A 51 -6.353 5.184 -11.544 1.00 0.00 C ATOM 827 CD GLU A 51 -7.645 4.695 -10.889 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.639 4.502 -9.685 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.620 4.524 -11.602 1.00 0.00 O ATOM 0 H GLU A 51 -5.654 4.401 -8.265 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.752 3.490 -10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.839 5.937 -9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.655 6.311 -10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.555 6.057 -12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.951 4.413 -12.201 1.00 0.00 H new ATOM 836 N GLU A 52 -2.551 5.161 -9.015 1.00 0.00 N ATOM 837 CA GLU A 52 -1.102 5.491 -8.952 1.00 0.00 C ATOM 838 C GLU A 52 -0.310 4.195 -8.793 1.00 0.00 C ATOM 839 O GLU A 52 0.848 4.108 -9.149 1.00 0.00 O ATOM 840 CB GLU A 52 -0.837 6.405 -7.754 1.00 0.00 C ATOM 841 CG GLU A 52 -1.300 7.825 -8.082 1.00 0.00 C ATOM 842 CD GLU A 52 -1.941 8.453 -6.843 1.00 0.00 C ATOM 843 OE1 GLU A 52 -2.129 7.741 -5.871 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.233 9.637 -6.888 1.00 0.00 O ATOM 0 H GLU A 52 -3.088 5.399 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.797 6.002 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.365 6.033 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.226 6.405 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.454 8.428 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.016 7.805 -8.904 1.00 0.00 H new ATOM 851 N LEU A 53 -0.935 3.185 -8.256 1.00 0.00 N ATOM 852 CA LEU A 53 -0.237 1.885 -8.063 1.00 0.00 C ATOM 853 C LEU A 53 -0.807 0.847 -9.036 1.00 0.00 C ATOM 854 O LEU A 53 -1.205 -0.231 -8.643 1.00 0.00 O ATOM 855 CB LEU A 53 -0.451 1.408 -6.625 1.00 0.00 C ATOM 856 CG LEU A 53 -0.325 2.598 -5.671 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.837 2.201 -4.286 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.144 3.014 -5.568 1.00 0.00 C ATOM 0 H LEU A 53 -1.905 3.205 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 53 0.829 2.010 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.435 0.950 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.284 0.644 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.916 3.431 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.747 3.049 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.883 1.903 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.247 1.368 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.235 3.862 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.733 2.179 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.512 3.298 -6.554 1.00 0.00 H new ATOM 870 N ASP A 54 -0.855 1.163 -10.302 1.00 0.00 N ATOM 871 CA ASP A 54 -1.401 0.194 -11.292 1.00 0.00 C ATOM 872 C ASP A 54 -0.387 -0.003 -12.423 1.00 0.00 C ATOM 873 O ASP A 54 0.567 0.738 -12.548 1.00 0.00 O ATOM 874 CB ASP A 54 -2.703 0.746 -11.868 1.00 0.00 C ATOM 875 CG ASP A 54 -3.725 -0.385 -12.006 1.00 0.00 C ATOM 876 OD1 ASP A 54 -3.310 -1.504 -12.256 1.00 0.00 O ATOM 877 OD2 ASP A 54 -4.905 -0.111 -11.862 1.00 0.00 O ATOM 0 H ASP A 54 -0.539 2.051 -10.692 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.591 -0.762 -10.804 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.097 1.528 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.517 1.202 -12.840 1.00 0.00 H new ATOM 882 N LYS A 55 -0.587 -0.993 -13.250 1.00 0.00 N ATOM 883 CA LYS A 55 0.367 -1.230 -14.371 1.00 0.00 C ATOM 884 C LYS A 55 -0.022 -2.512 -15.107 1.00 0.00 C ATOM 885 O LYS A 55 -0.138 -2.536 -16.317 1.00 0.00 O ATOM 886 CB LYS A 55 1.786 -1.373 -13.813 1.00 0.00 C ATOM 887 CG LYS A 55 1.760 -2.252 -12.560 1.00 0.00 C ATOM 888 CD LYS A 55 3.088 -2.111 -11.812 1.00 0.00 C ATOM 889 CE LYS A 55 4.261 -2.336 -12.796 1.00 0.00 C ATOM 890 NZ LYS A 55 5.522 -2.519 -12.024 1.00 0.00 N ATOM 0 H LYS A 55 -1.368 -1.647 -13.198 1.00 0.00 H new ATOM 0 HA LYS A 55 0.332 -0.388 -15.062 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.440 -1.814 -14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.193 -0.391 -13.572 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.933 -1.958 -11.914 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.594 -3.293 -12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.161 -1.121 -11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.138 -2.835 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.069 -3.213 -13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.354 -1.485 -13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.313 -2.671 -12.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.705 -1.670 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.429 -3.344 -11.398 1.00 0.00 H new ATOM 904 N ASN A 56 -0.229 -3.577 -14.387 1.00 0.00 N ATOM 905 CA ASN A 56 -0.616 -4.858 -15.042 1.00 0.00 C ATOM 906 C ASN A 56 -2.097 -5.132 -14.777 1.00 0.00 C ATOM 907 O ASN A 56 -2.639 -6.129 -15.208 1.00 0.00 O ATOM 908 CB ASN A 56 0.216 -6.021 -14.478 1.00 0.00 C ATOM 909 CG ASN A 56 1.344 -5.496 -13.582 1.00 0.00 C ATOM 910 OD1 ASN A 56 2.405 -5.151 -14.061 1.00 0.00 O ATOM 911 ND2 ASN A 56 1.154 -5.423 -12.294 1.00 0.00 N ATOM 0 H ASN A 56 -0.147 -3.617 -13.371 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.433 -4.775 -16.113 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.427 -6.691 -13.907 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.637 -6.604 -15.297 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.897 -5.076 -11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.262 -5.713 -11.893 1.00 0.00 H new ATOM 918 N GLY A 57 -2.756 -4.256 -14.066 1.00 0.00 N ATOM 919 CA GLY A 57 -4.199 -4.476 -13.771 1.00 0.00 C ATOM 920 C GLY A 57 -4.381 -5.872 -13.184 1.00 0.00 C ATOM 921 O GLY A 57 -5.227 -6.632 -13.609 1.00 0.00 O ATOM 0 H GLY A 57 -2.358 -3.401 -13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.558 -3.723 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.789 -4.371 -14.681 1.00 0.00 H new ATOM 925 N ASP A 58 -3.593 -6.211 -12.203 1.00 0.00 N ATOM 926 CA ASP A 58 -3.714 -7.551 -11.576 1.00 0.00 C ATOM 927 C ASP A 58 -3.954 -7.377 -10.078 1.00 0.00 C ATOM 928 O ASP A 58 -4.056 -8.334 -9.337 1.00 0.00 O ATOM 929 CB ASP A 58 -2.424 -8.336 -11.804 1.00 0.00 C ATOM 930 CG ASP A 58 -2.670 -9.429 -12.844 1.00 0.00 C ATOM 931 OD1 ASP A 58 -2.901 -9.086 -13.992 1.00 0.00 O ATOM 932 OD2 ASP A 58 -2.625 -10.591 -12.476 1.00 0.00 O ATOM 0 H ASP A 58 -2.867 -5.613 -11.808 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.547 -8.096 -12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.634 -7.667 -12.144 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.085 -8.780 -10.868 1.00 0.00 H new ATOM 937 N GLY A 59 -4.052 -6.155 -9.625 1.00 0.00 N ATOM 938 CA GLY A 59 -4.291 -5.919 -8.179 1.00 0.00 C ATOM 939 C GLY A 59 -2.975 -6.027 -7.406 1.00 0.00 C ATOM 940 O GLY A 59 -2.966 -6.211 -6.204 1.00 0.00 O ATOM 0 H GLY A 59 -3.976 -5.314 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.729 -4.932 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.007 -6.646 -7.797 1.00 0.00 H new ATOM 944 N GLU A 60 -1.862 -5.911 -8.079 1.00 0.00 N ATOM 945 CA GLU A 60 -0.552 -6.005 -7.372 1.00 0.00 C ATOM 946 C GLU A 60 0.383 -4.902 -7.854 1.00 0.00 C ATOM 947 O GLU A 60 0.319 -4.457 -8.984 1.00 0.00 O ATOM 948 CB GLU A 60 0.087 -7.364 -7.648 1.00 0.00 C ATOM 949 CG GLU A 60 1.539 -7.359 -7.168 1.00 0.00 C ATOM 950 CD GLU A 60 1.934 -8.770 -6.729 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.597 -9.139 -5.617 1.00 0.00 O ATOM 952 OE2 GLU A 60 2.568 -9.458 -7.513 1.00 0.00 O ATOM 0 H GLU A 60 -1.803 -5.756 -9.085 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.721 -5.891 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.472 -8.149 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.047 -7.585 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.197 -7.018 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.657 -6.662 -6.338 1.00 0.00 H new ATOM 959 N VAL A 61 1.263 -4.470 -6.999 1.00 0.00 N ATOM 960 CA VAL A 61 2.228 -3.409 -7.375 1.00 0.00 C ATOM 961 C VAL A 61 3.614 -3.833 -6.901 1.00 0.00 C ATOM 962 O VAL A 61 3.841 -4.971 -6.542 1.00 0.00 O ATOM 963 CB VAL A 61 1.843 -2.086 -6.699 1.00 0.00 C ATOM 964 CG1 VAL A 61 0.946 -1.273 -7.631 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.095 -2.371 -5.394 1.00 0.00 C ATOM 0 H VAL A 61 1.354 -4.813 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 61 2.220 -3.267 -8.456 1.00 0.00 H new ATOM 0 HB VAL A 61 2.748 -1.520 -6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.675 -0.334 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.480 -1.063 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.043 -1.841 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.823 -1.429 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.192 -2.942 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.736 -2.945 -4.725 1.00 0.00 H new ATOM 975 N SER A 62 4.534 -2.924 -6.886 1.00 0.00 N ATOM 976 CA SER A 62 5.904 -3.249 -6.425 1.00 0.00 C ATOM 977 C SER A 62 6.428 -2.041 -5.638 1.00 0.00 C ATOM 978 O SER A 62 5.744 -1.049 -5.497 1.00 0.00 O ATOM 979 CB SER A 62 6.781 -3.540 -7.649 1.00 0.00 C ATOM 980 OG SER A 62 6.967 -2.341 -8.397 1.00 0.00 O ATOM 0 H SER A 62 4.396 -1.956 -7.177 1.00 0.00 H new ATOM 0 HA SER A 62 5.916 -4.129 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.746 -3.937 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.312 -4.301 -8.273 1.00 0.00 H new ATOM 0 HG SER A 62 7.529 -2.527 -9.178 1.00 0.00 H new ATOM 986 N PHE A 63 7.615 -2.113 -5.104 1.00 0.00 N ATOM 987 CA PHE A 63 8.150 -0.967 -4.312 1.00 0.00 C ATOM 988 C PHE A 63 8.400 0.223 -5.246 1.00 0.00 C ATOM 989 O PHE A 63 8.691 1.317 -4.807 1.00 0.00 O ATOM 990 CB PHE A 63 9.460 -1.402 -3.649 1.00 0.00 C ATOM 991 CG PHE A 63 9.722 -0.640 -2.358 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.770 -0.616 -1.325 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.945 0.022 -2.184 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.042 0.065 -0.131 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.214 0.708 -0.990 1.00 0.00 C ATOM 996 CZ PHE A 63 10.262 0.729 0.038 1.00 0.00 C ATOM 0 H PHE A 63 8.239 -2.916 -5.181 1.00 0.00 H new ATOM 0 HA PHE A 63 7.435 -0.668 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.423 -2.471 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.288 -1.241 -4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.825 -1.124 -1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.683 0.004 -2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.308 0.077 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.156 1.221 -0.863 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.469 1.256 0.958 1.00 0.00 H new ATOM 1006 N GLU A 64 8.276 0.021 -6.533 1.00 0.00 N ATOM 1007 CA GLU A 64 8.492 1.147 -7.489 1.00 0.00 C ATOM 1008 C GLU A 64 7.221 1.998 -7.543 1.00 0.00 C ATOM 1009 O GLU A 64 7.264 3.193 -7.764 1.00 0.00 O ATOM 1010 CB GLU A 64 8.798 0.598 -8.885 1.00 0.00 C ATOM 1011 CG GLU A 64 9.677 1.595 -9.642 1.00 0.00 C ATOM 1012 CD GLU A 64 9.490 1.392 -11.147 1.00 0.00 C ATOM 1013 OE1 GLU A 64 8.489 0.807 -11.525 1.00 0.00 O ATOM 1014 OE2 GLU A 64 10.352 1.824 -11.895 1.00 0.00 O ATOM 0 H GLU A 64 8.035 -0.873 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 64 9.335 1.752 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.305 -0.364 -8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.871 0.426 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.411 2.615 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.723 1.454 -9.371 1.00 0.00 H new ATOM 1021 N GLU A 65 6.089 1.386 -7.328 1.00 0.00 N ATOM 1022 CA GLU A 65 4.806 2.141 -7.345 1.00 0.00 C ATOM 1023 C GLU A 65 4.435 2.475 -5.902 1.00 0.00 C ATOM 1024 O GLU A 65 3.683 3.388 -5.628 1.00 0.00 O ATOM 1025 CB GLU A 65 3.710 1.279 -7.972 1.00 0.00 C ATOM 1026 CG GLU A 65 4.257 0.570 -9.214 1.00 0.00 C ATOM 1027 CD GLU A 65 3.661 1.206 -10.471 1.00 0.00 C ATOM 1028 OE1 GLU A 65 2.537 0.869 -10.805 1.00 0.00 O ATOM 1029 OE2 GLU A 65 4.338 2.020 -11.077 1.00 0.00 O ATOM 0 H GLU A 65 5.998 0.388 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 65 4.911 3.054 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.354 0.545 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.856 1.900 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.344 0.643 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.009 -0.491 -9.178 1.00 0.00 H new ATOM 1036 N PHE A 66 4.985 1.732 -4.981 1.00 0.00 N ATOM 1037 CA PHE A 66 4.716 1.966 -3.534 1.00 0.00 C ATOM 1038 C PHE A 66 5.495 3.205 -3.059 1.00 0.00 C ATOM 1039 O PHE A 66 5.520 3.524 -1.887 1.00 0.00 O ATOM 1040 CB PHE A 66 5.185 0.732 -2.749 1.00 0.00 C ATOM 1041 CG PHE A 66 4.605 0.763 -1.356 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.250 0.469 -1.160 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.409 1.112 -0.264 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.697 0.528 0.122 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.856 1.163 1.018 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.501 0.876 1.211 1.00 0.00 C ATOM 0 H PHE A 66 5.621 0.958 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 66 3.651 2.133 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.873 -0.177 -3.263 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.274 0.713 -2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.631 0.196 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.454 1.341 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.651 0.305 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.477 1.425 1.862 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.075 0.923 2.202 1.00 0.00 H new ATOM 1056 N GLN A 67 6.129 3.906 -3.966 1.00 0.00 N ATOM 1057 CA GLN A 67 6.908 5.128 -3.573 1.00 0.00 C ATOM 1058 C GLN A 67 5.964 6.304 -3.425 1.00 0.00 C ATOM 1059 O GLN A 67 6.082 7.111 -2.525 1.00 0.00 O ATOM 1060 CB GLN A 67 7.966 5.460 -4.629 1.00 0.00 C ATOM 1061 CG GLN A 67 8.855 4.243 -4.881 1.00 0.00 C ATOM 1062 CD GLN A 67 9.901 4.102 -3.756 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.741 4.967 -3.596 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.901 3.051 -2.958 1.00 0.00 N ATOM 0 H GLN A 67 6.143 3.687 -4.962 1.00 0.00 H new ATOM 0 HA GLN A 67 7.408 4.929 -2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.482 5.765 -5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.573 6.301 -4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.244 3.342 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.357 4.344 -5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.203 2.318 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.599 2.972 -2.219 1.00 0.00 H new ATOM 1073 N VAL A 68 5.026 6.406 -4.300 1.00 0.00 N ATOM 1074 CA VAL A 68 4.055 7.523 -4.198 1.00 0.00 C ATOM 1075 C VAL A 68 3.525 7.551 -2.766 1.00 0.00 C ATOM 1076 O VAL A 68 3.117 8.573 -2.251 1.00 0.00 O ATOM 1077 CB VAL A 68 2.914 7.275 -5.174 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.126 8.567 -5.368 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.501 6.812 -6.509 1.00 0.00 C ATOM 0 H VAL A 68 4.882 5.769 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 68 4.525 8.476 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 68 2.245 6.508 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.308 8.393 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.722 8.894 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.785 9.339 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.693 6.631 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.163 7.583 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.065 5.892 -6.359 1.00 0.00 H new ATOM 1089 N LEU A 69 3.550 6.416 -2.123 1.00 0.00 N ATOM 1090 CA LEU A 69 3.076 6.314 -0.713 1.00 0.00 C ATOM 1091 C LEU A 69 4.252 6.564 0.210 1.00 0.00 C ATOM 1092 O LEU A 69 4.094 7.020 1.314 1.00 0.00 O ATOM 1093 CB LEU A 69 2.600 4.881 -0.465 1.00 0.00 C ATOM 1094 CG LEU A 69 1.184 4.792 0.142 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.305 4.310 1.583 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.452 6.140 0.125 1.00 0.00 C ATOM 0 H LEU A 69 3.885 5.539 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 69 2.276 7.033 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.616 4.334 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.304 4.385 0.203 1.00 0.00 H new ATOM 0 HG LEU A 69 0.602 4.097 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.312 4.241 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.779 3.329 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.910 5.015 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.539 6.021 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.019 6.869 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.355 6.488 -0.903 1.00 0.00 H new ATOM 1108 N VAL A 70 5.426 6.225 -0.231 1.00 0.00 N ATOM 1109 CA VAL A 70 6.626 6.411 0.619 1.00 0.00 C ATOM 1110 C VAL A 70 6.618 7.832 1.185 1.00 0.00 C ATOM 1111 O VAL A 70 6.982 8.060 2.323 1.00 0.00 O ATOM 1112 CB VAL A 70 7.891 6.178 -0.225 1.00 0.00 C ATOM 1113 CG1 VAL A 70 9.070 6.984 0.332 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.252 4.695 -0.203 1.00 0.00 C ATOM 0 H VAL A 70 5.606 5.824 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 70 6.618 5.697 1.443 1.00 0.00 H new ATOM 0 HB VAL A 70 7.689 6.502 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.954 6.805 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.826 8.046 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.270 6.675 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.148 4.530 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.438 4.381 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.428 4.114 -0.616 1.00 0.00 H new ATOM 1124 N LYS A 71 6.192 8.790 0.406 1.00 0.00 N ATOM 1125 CA LYS A 71 6.144 10.194 0.905 1.00 0.00 C ATOM 1126 C LYS A 71 4.825 10.401 1.648 1.00 0.00 C ATOM 1127 O LYS A 71 4.252 11.473 1.636 1.00 0.00 O ATOM 1128 CB LYS A 71 6.222 11.161 -0.279 1.00 0.00 C ATOM 1129 CG LYS A 71 4.982 10.993 -1.162 1.00 0.00 C ATOM 1130 CD LYS A 71 5.061 11.962 -2.345 1.00 0.00 C ATOM 1131 CE LYS A 71 4.037 13.084 -2.156 1.00 0.00 C ATOM 1132 NZ LYS A 71 2.681 12.582 -2.518 1.00 0.00 N ATOM 0 H LYS A 71 5.875 8.660 -0.555 1.00 0.00 H new ATOM 0 HA LYS A 71 6.984 10.382 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.288 12.188 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.124 10.968 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.916 9.967 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.080 11.185 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.065 12.380 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.867 11.431 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.045 13.429 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.299 13.939 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.984 13.343 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.679 12.273 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.433 11.779 -1.905 1.00 0.00 H new ATOM 1146 N LYS A 72 4.323 9.367 2.267 1.00 0.00 N ATOM 1147 CA LYS A 72 3.052 9.454 2.973 1.00 0.00 C ATOM 1148 C LYS A 72 3.209 8.962 4.421 1.00 0.00 C ATOM 1149 O LYS A 72 2.255 8.918 5.171 1.00 0.00 O ATOM 1150 CB LYS A 72 2.078 8.548 2.240 1.00 0.00 C ATOM 1151 CG LYS A 72 0.739 9.242 2.143 1.00 0.00 C ATOM 1152 CD LYS A 72 0.357 9.753 3.527 1.00 0.00 C ATOM 1153 CE LYS A 72 -1.063 10.318 3.505 1.00 0.00 C ATOM 1154 NZ LYS A 72 -1.068 11.672 4.130 1.00 0.00 N ATOM 0 H LYS A 72 4.767 8.449 2.303 1.00 0.00 H new ATOM 0 HA LYS A 72 2.700 10.485 3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.455 8.317 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.974 7.601 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.792 10.069 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.019 8.552 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.423 8.943 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.059 10.524 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.426 10.378 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.739 9.654 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.941 12.173 3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.022 11.577 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.245 12.212 3.795 1.00 0.00 H new ATOM 1168 N ILE A 73 4.389 8.553 4.820 1.00 0.00 N ATOM 1169 CA ILE A 73 4.552 8.031 6.209 1.00 0.00 C ATOM 1170 C ILE A 73 5.198 9.021 7.121 1.00 0.00 C ATOM 1171 O ILE A 73 4.816 9.184 8.264 1.00 0.00 O ATOM 1172 CB ILE A 73 5.546 6.882 6.239 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.601 6.184 4.905 1.00 0.00 C ATOM 1174 CG2 ILE A 73 5.175 5.925 7.350 1.00 0.00 C ATOM 1175 CD1 ILE A 73 4.215 5.657 4.537 1.00 0.00 C ATOM 0 H ILE A 73 5.235 8.558 4.251 1.00 0.00 H new ATOM 0 HA ILE A 73 3.541 7.766 6.519 1.00 0.00 H new ATOM 0 HB ILE A 73 6.543 7.275 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.953 6.874 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.314 5.361 4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.887 5.100 7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.197 6.450 8.305 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.173 5.534 7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.262 5.153 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.880 4.952 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.513 6.489 4.479 1.00 0.00 H new ATOM 1187 N SER A 74 6.280 9.550 6.667 1.00 0.00 N ATOM 1188 CA SER A 74 7.089 10.386 7.541 1.00 0.00 C ATOM 1189 C SER A 74 6.210 11.261 8.447 1.00 0.00 C ATOM 1190 O SER A 74 5.859 10.871 9.544 1.00 0.00 O ATOM 1191 CB SER A 74 8.037 11.256 6.717 1.00 0.00 C ATOM 1192 OG SER A 74 9.368 10.787 6.888 1.00 0.00 O ATOM 0 H SER A 74 6.636 9.434 5.718 1.00 0.00 H new ATOM 0 HA SER A 74 7.679 9.730 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.759 11.221 5.664 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.962 12.297 7.032 1.00 0.00 H new ATOM 0 HG SER A 74 9.987 11.379 6.412 1.00 0.00 H new ATOM 1198 N GLN A 75 5.852 12.435 8.003 1.00 0.00 N ATOM 1199 CA GLN A 75 5.000 13.318 8.850 1.00 0.00 C ATOM 1200 C GLN A 75 4.492 14.496 8.017 1.00 0.00 C ATOM 1201 O GLN A 75 5.317 15.216 7.481 1.00 0.00 O ATOM 1202 CB GLN A 75 5.825 13.847 10.027 1.00 0.00 C ATOM 1203 CG GLN A 75 5.327 13.213 11.329 1.00 0.00 C ATOM 1204 CD GLN A 75 3.851 13.560 11.531 1.00 0.00 C ATOM 1205 OE1 GLN A 75 2.984 12.748 11.277 1.00 0.00 O ATOM 1206 NE2 GLN A 75 3.527 14.741 11.981 1.00 0.00 N ATOM 1207 OXT GLN A 75 3.286 14.660 7.933 1.00 0.00 O ATOM 0 H GLN A 75 6.111 12.820 7.095 1.00 0.00 H new ATOM 0 HA GLN A 75 4.151 12.747 9.226 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.880 13.616 9.878 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.742 14.932 10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.456 12.131 11.292 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.916 13.576 12.172 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.255 15.423 12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.546 14.982 12.120 1.00 0.00 H new TER 1216 GLN A 75