USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ -114:sc= -5.27! (180deg=-0.415) USER MOD Set 1.2: A 84 MET CE :methyl -146:sc= -23.6! (180deg=-14.7!) USER MOD Set 2.1: A 4 ASN : amide:sc= -22.6! C(o=-40!,f=-38!) USER MOD Set 2.2: A 62 ASN : amide:sc= -17.8! C(o=-40!,f=-52!) USER MOD Single : A 1 MET CE :methyl -149:sc= -0.949! (180deg=-4.24!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0917 USER MOD Single : A 10 SER OG : rot 180:sc= -0.398 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -2.83! USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0236 USER MOD Single : A 16 CYS SG : rot 20:sc= -4.69! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -7.99! (180deg=-9.06!) USER MOD Single : A 51 TYR OH : rot 180:sc= -6.05! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -150:sc= -0.257 USER MOD Single : A 81 ASN : amide:sc= -2.42! K(o=-2.4!,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.484 -3.482 9.964 1.00 0.00 N ATOM 2 CA MET A 1 -11.178 -2.678 8.746 1.00 0.00 C ATOM 3 C MET A 1 -11.285 -3.552 7.494 1.00 0.00 C ATOM 4 O MET A 1 -10.777 -4.655 7.451 1.00 0.00 O ATOM 5 CB MET A 1 -9.740 -2.194 8.942 1.00 0.00 C ATOM 6 CG MET A 1 -9.127 -1.850 7.584 1.00 0.00 C ATOM 7 SD MET A 1 -8.088 -0.377 7.746 1.00 0.00 S ATOM 8 CE MET A 1 -9.289 0.651 8.626 1.00 0.00 C ATOM 0 H1 MET A 1 -11.408 -2.878 10.807 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.450 -3.861 9.896 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.808 -4.268 10.040 1.00 0.00 H new ATOM 0 HA MET A 1 -11.873 -1.849 8.613 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.725 -1.319 9.592 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.149 -2.966 9.434 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.534 -2.688 7.218 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.915 -1.674 6.852 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.131 1.698 8.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.299 0.355 8.342 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.161 0.521 9.701 1.00 0.00 H new ATOM 20 N VAL A 2 -11.940 -3.067 6.476 1.00 0.00 N ATOM 21 CA VAL A 2 -12.078 -3.872 5.228 1.00 0.00 C ATOM 22 C VAL A 2 -10.811 -3.762 4.382 1.00 0.00 C ATOM 23 O VAL A 2 -9.873 -4.517 4.540 1.00 0.00 O ATOM 24 CB VAL A 2 -13.253 -3.252 4.477 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.205 -1.730 4.618 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.156 -3.633 2.997 1.00 0.00 C ATOM 0 H VAL A 2 -12.385 -2.150 6.453 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.236 -4.928 5.445 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.191 -3.621 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.045 -1.288 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.266 -1.460 5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.270 -1.355 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.992 -3.194 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.219 -3.259 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.188 -4.718 2.898 1.00 0.00 H new ATOM 36 N VAL A 3 -10.790 -2.832 3.472 1.00 0.00 N ATOM 37 CA VAL A 3 -9.601 -2.659 2.608 1.00 0.00 C ATOM 38 C VAL A 3 -8.624 -1.650 3.218 1.00 0.00 C ATOM 39 O VAL A 3 -8.988 -0.529 3.527 1.00 0.00 O ATOM 40 CB VAL A 3 -10.173 -2.148 1.288 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.042 -1.667 0.377 1.00 0.00 C ATOM 42 CG2 VAL A 3 -10.934 -3.284 0.602 1.00 0.00 C ATOM 0 H VAL A 3 -11.554 -2.181 3.291 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.033 -3.581 2.484 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.847 -1.314 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.460 -1.304 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.498 -0.860 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.361 -2.494 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.346 -2.928 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.254 -4.114 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.745 -3.621 1.248 1.00 0.00 H new ATOM 52 N ASN A 4 -7.376 -2.011 3.336 1.00 0.00 N ATOM 53 CA ASN A 4 -6.375 -1.067 3.921 1.00 0.00 C ATOM 54 C ASN A 4 -5.063 -1.184 3.145 1.00 0.00 C ATOM 55 O ASN A 4 -4.365 -2.163 3.180 1.00 0.00 O ATOM 56 CB ASN A 4 -6.137 -1.581 5.356 1.00 0.00 C ATOM 57 CG ASN A 4 -5.410 -0.504 6.162 1.00 0.00 C ATOM 58 OD1 ASN A 4 -5.752 0.658 6.082 1.00 0.00 O ATOM 59 ND2 ASN A 4 -4.416 -0.840 6.939 1.00 0.00 N ATOM 0 H ASN A 4 -7.004 -2.918 3.054 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.716 -0.032 3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.088 -1.827 5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.546 -2.497 5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.927 -0.126 7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.129 -1.816 7.006 1.00 0.00 H new ATOM 66 N ILE A 5 -4.773 -0.175 2.360 1.00 0.00 N ATOM 67 CA ILE A 5 -3.542 -0.193 1.535 1.00 0.00 C ATOM 68 C ILE A 5 -2.805 1.143 1.577 1.00 0.00 C ATOM 69 O ILE A 5 -3.417 2.184 1.409 1.00 0.00 O ATOM 70 CB ILE A 5 -3.988 -0.552 0.130 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.087 -1.615 0.206 1.00 0.00 C ATOM 72 CG2 ILE A 5 -2.797 -1.106 -0.657 1.00 0.00 C ATOM 73 CD1 ILE A 5 -4.890 -2.630 -0.920 1.00 0.00 C ATOM 0 H ILE A 5 -5.346 0.663 2.260 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.825 -0.920 1.917 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.372 0.337 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.056 -2.117 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.068 -1.147 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.116 -1.364 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.011 -0.352 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.414 -1.997 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.672 -3.388 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.942 -2.121 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.915 -3.106 -0.814 1.00 0.00 H new ATOM 85 N GLU A 6 -1.513 1.142 1.715 1.00 0.00 N ATOM 86 CA GLU A 6 -0.806 2.444 1.685 1.00 0.00 C ATOM 87 C GLU A 6 0.238 2.406 0.562 1.00 0.00 C ATOM 88 O GLU A 6 1.323 1.881 0.695 1.00 0.00 O ATOM 89 CB GLU A 6 -0.087 2.510 3.049 1.00 0.00 C ATOM 90 CG GLU A 6 0.532 3.897 3.248 1.00 0.00 C ATOM 91 CD GLU A 6 -0.291 4.929 2.478 1.00 0.00 C ATOM 92 OE1 GLU A 6 -0.183 4.959 1.262 1.00 0.00 O ATOM 93 OE2 GLU A 6 -1.012 5.678 3.117 1.00 0.00 O ATOM 0 H GLU A 6 -0.928 0.317 1.844 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.467 3.294 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.793 2.299 3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.689 1.746 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.555 4.150 4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.564 3.902 2.897 1.00 0.00 H new ATOM 100 N VAL A 7 -0.070 3.033 -0.543 1.00 0.00 N ATOM 101 CA VAL A 7 0.878 3.003 -1.694 1.00 0.00 C ATOM 102 C VAL A 7 1.737 4.262 -1.673 1.00 0.00 C ATOM 103 O VAL A 7 1.307 5.359 -1.941 1.00 0.00 O ATOM 104 CB VAL A 7 -0.015 3.027 -2.954 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.848 1.747 -3.025 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.957 4.238 -2.906 1.00 0.00 C ATOM 0 H VAL A 7 -0.930 3.560 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 7 1.534 2.133 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 7 0.623 3.097 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.476 1.770 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.185 0.883 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.478 1.674 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.583 4.247 -3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.589 4.173 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.369 5.155 -2.866 1.00 0.00 H new ATOM 116 N PHE A 8 2.986 4.086 -1.290 1.00 0.00 N ATOM 117 CA PHE A 8 3.914 5.247 -1.206 1.00 0.00 C ATOM 118 C PHE A 8 5.079 5.047 -2.179 1.00 0.00 C ATOM 119 O PHE A 8 6.002 4.304 -1.912 1.00 0.00 O ATOM 120 CB PHE A 8 4.407 5.238 0.245 1.00 0.00 C ATOM 121 CG PHE A 8 5.759 5.904 0.337 1.00 0.00 C ATOM 122 CD1 PHE A 8 6.922 5.177 0.052 1.00 0.00 C ATOM 123 CD2 PHE A 8 5.850 7.247 0.710 1.00 0.00 C ATOM 124 CE1 PHE A 8 8.174 5.797 0.141 1.00 0.00 C ATOM 125 CE2 PHE A 8 7.100 7.865 0.796 1.00 0.00 C ATOM 126 CZ PHE A 8 8.261 7.141 0.514 1.00 0.00 C ATOM 0 H PHE A 8 3.394 3.187 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 8 3.440 6.193 -1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.693 5.758 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.472 4.213 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.853 4.138 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.954 7.808 0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.071 5.237 -0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.169 8.904 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.226 7.620 0.584 1.00 0.00 H new ATOM 136 N THR A 9 5.042 5.705 -3.304 1.00 0.00 N ATOM 137 CA THR A 9 6.148 5.562 -4.293 1.00 0.00 C ATOM 138 C THR A 9 6.576 6.935 -4.811 1.00 0.00 C ATOM 139 O THR A 9 7.702 7.353 -4.645 1.00 0.00 O ATOM 140 CB THR A 9 5.572 4.700 -5.412 1.00 0.00 C ATOM 141 OG1 THR A 9 6.267 3.461 -5.458 1.00 0.00 O ATOM 142 CG2 THR A 9 5.726 5.426 -6.746 1.00 0.00 C ATOM 0 H THR A 9 4.292 6.337 -3.582 1.00 0.00 H new ATOM 0 HA THR A 9 7.038 5.107 -3.859 1.00 0.00 H new ATOM 0 HB THR A 9 4.514 4.515 -5.223 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.897 2.905 -6.175 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.314 4.810 -7.545 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.191 6.375 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.782 5.612 -6.939 1.00 0.00 H new ATOM 150 N SER A 10 5.679 7.643 -5.448 1.00 0.00 N ATOM 151 CA SER A 10 6.046 8.983 -5.983 1.00 0.00 C ATOM 152 C SER A 10 4.826 9.690 -6.582 1.00 0.00 C ATOM 153 O SER A 10 3.957 9.065 -7.157 1.00 0.00 O ATOM 154 CB SER A 10 7.086 8.710 -7.070 1.00 0.00 C ATOM 155 OG SER A 10 7.878 9.875 -7.265 1.00 0.00 O ATOM 0 H SER A 10 4.716 7.352 -5.619 1.00 0.00 H new ATOM 0 HA SER A 10 6.429 9.635 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.718 7.870 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.592 8.432 -8.001 1.00 0.00 H new ATOM 0 HG SER A 10 8.547 9.703 -7.960 1.00 0.00 H new ATOM 161 N PRO A 11 4.808 10.986 -6.410 1.00 0.00 N ATOM 162 CA PRO A 11 3.691 11.814 -6.924 1.00 0.00 C ATOM 163 C PRO A 11 3.818 12.013 -8.435 1.00 0.00 C ATOM 164 O PRO A 11 2.922 12.518 -9.082 1.00 0.00 O ATOM 165 CB PRO A 11 3.864 13.141 -6.190 1.00 0.00 C ATOM 166 CG PRO A 11 5.317 13.209 -5.835 1.00 0.00 C ATOM 167 CD PRO A 11 5.825 11.793 -5.725 1.00 0.00 C ATOM 0 HA PRO A 11 2.714 11.360 -6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.574 13.981 -6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.239 13.182 -5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.872 13.757 -6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.457 13.741 -4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.802 11.684 -6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.937 11.491 -4.684 1.00 0.00 H new ATOM 175 N THR A 12 4.922 11.625 -9.007 1.00 0.00 N ATOM 176 CA THR A 12 5.092 11.798 -10.478 1.00 0.00 C ATOM 177 C THR A 12 4.341 10.691 -11.220 1.00 0.00 C ATOM 178 O THR A 12 4.291 10.661 -12.433 1.00 0.00 O ATOM 179 CB THR A 12 6.604 11.680 -10.715 1.00 0.00 C ATOM 180 OG1 THR A 12 7.006 12.637 -11.685 1.00 0.00 O ATOM 181 CG2 THR A 12 6.943 10.273 -11.215 1.00 0.00 C ATOM 0 H THR A 12 5.712 11.197 -8.524 1.00 0.00 H new ATOM 0 HA THR A 12 4.698 12.748 -10.838 1.00 0.00 H new ATOM 0 HB THR A 12 7.130 11.864 -9.779 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.972 12.564 -11.836 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.017 10.195 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.637 9.539 -10.470 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.416 10.082 -12.150 1.00 0.00 H new ATOM 189 N CYS A 13 3.792 9.758 -10.492 1.00 0.00 N ATOM 190 CA CYS A 13 3.032 8.647 -11.131 1.00 0.00 C ATOM 191 C CYS A 13 2.107 7.987 -10.108 1.00 0.00 C ATOM 192 O CYS A 13 1.923 8.485 -9.017 1.00 0.00 O ATOM 193 CB CYS A 13 4.093 7.698 -11.656 1.00 0.00 C ATOM 194 SG CYS A 13 4.549 6.544 -10.348 1.00 0.00 S ATOM 0 H CYS A 13 3.838 9.718 -9.474 1.00 0.00 H new ATOM 0 HA CYS A 13 2.382 8.982 -11.939 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.716 7.155 -12.523 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.968 8.258 -11.986 1.00 0.00 H new ATOM 0 HG CYS A 13 5.457 5.725 -10.789 1.00 0.00 H new ATOM 200 N PRO A 14 1.619 6.832 -10.473 1.00 0.00 N ATOM 201 CA PRO A 14 0.758 6.050 -9.564 1.00 0.00 C ATOM 202 C PRO A 14 1.616 5.212 -8.605 1.00 0.00 C ATOM 203 O PRO A 14 2.360 4.346 -9.021 1.00 0.00 O ATOM 204 CB PRO A 14 -0.021 5.146 -10.510 1.00 0.00 C ATOM 205 CG PRO A 14 0.838 5.003 -11.733 1.00 0.00 C ATOM 206 CD PRO A 14 1.814 6.157 -11.761 1.00 0.00 C ATOM 0 HA PRO A 14 0.116 6.671 -8.940 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.216 4.176 -10.053 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.989 5.581 -10.760 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.373 4.053 -11.713 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.222 5.004 -12.632 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.840 5.807 -11.875 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.612 6.828 -12.596 1.00 0.00 H new ATOM 214 N TYR A 15 1.513 5.459 -7.327 1.00 0.00 N ATOM 215 CA TYR A 15 2.321 4.668 -6.356 1.00 0.00 C ATOM 216 C TYR A 15 2.167 3.171 -6.656 1.00 0.00 C ATOM 217 O TYR A 15 2.976 2.579 -7.342 1.00 0.00 O ATOM 218 CB TYR A 15 1.738 5.011 -4.983 1.00 0.00 C ATOM 219 CG TYR A 15 1.389 6.480 -4.932 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.233 7.423 -5.527 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.220 6.897 -4.286 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.907 8.782 -5.478 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.106 8.257 -4.237 1.00 0.00 C ATOM 224 CZ TYR A 15 0.738 9.200 -4.833 1.00 0.00 C ATOM 225 OH TYR A 15 0.419 10.542 -4.784 1.00 0.00 O ATOM 0 H TYR A 15 0.908 6.170 -6.916 1.00 0.00 H new ATOM 0 HA TYR A 15 3.385 4.898 -6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.849 4.409 -4.794 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.458 4.771 -4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.136 7.102 -6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.431 6.169 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.558 9.510 -5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.009 8.578 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.425 10.660 -4.300 1.00 0.00 H new ATOM 235 N CYS A 16 1.125 2.558 -6.155 1.00 0.00 N ATOM 236 CA CYS A 16 0.907 1.103 -6.419 1.00 0.00 C ATOM 237 C CYS A 16 -0.584 0.764 -6.286 1.00 0.00 C ATOM 238 O CYS A 16 -0.942 -0.267 -5.754 1.00 0.00 O ATOM 239 CB CYS A 16 1.715 0.379 -5.343 1.00 0.00 C ATOM 240 SG CYS A 16 3.471 0.413 -5.781 1.00 0.00 S ATOM 0 H CYS A 16 0.415 3.003 -5.574 1.00 0.00 H new ATOM 0 HA CYS A 16 1.215 0.814 -7.424 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.561 0.856 -4.375 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.373 -0.652 -5.248 1.00 0.00 H new ATOM 0 HG CYS A 16 3.688 1.372 -6.632 1.00 0.00 H new ATOM 246 N PRO A 17 -1.404 1.660 -6.771 1.00 0.00 N ATOM 247 CA PRO A 17 -2.878 1.472 -6.702 1.00 0.00 C ATOM 248 C PRO A 17 -3.348 0.415 -7.707 1.00 0.00 C ATOM 249 O PRO A 17 -4.451 0.479 -8.213 1.00 0.00 O ATOM 250 CB PRO A 17 -3.428 2.841 -7.086 1.00 0.00 C ATOM 251 CG PRO A 17 -2.354 3.466 -7.917 1.00 0.00 C ATOM 252 CD PRO A 17 -1.040 2.923 -7.421 1.00 0.00 C ATOM 0 HA PRO A 17 -3.210 1.128 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.359 2.750 -7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.645 3.442 -6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.496 3.229 -8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.381 4.552 -7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.339 2.763 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.562 3.609 -6.722 1.00 0.00 H new ATOM 260 N MET A 18 -2.528 -0.551 -8.008 1.00 0.00 N ATOM 261 CA MET A 18 -2.946 -1.596 -8.989 1.00 0.00 C ATOM 262 C MET A 18 -3.162 -2.931 -8.283 1.00 0.00 C ATOM 263 O MET A 18 -4.247 -3.479 -8.282 1.00 0.00 O ATOM 264 CB MET A 18 -1.782 -1.705 -9.971 1.00 0.00 C ATOM 265 CG MET A 18 -2.187 -2.596 -11.148 1.00 0.00 C ATOM 266 SD MET A 18 -1.059 -4.007 -11.252 1.00 0.00 S ATOM 267 CE MET A 18 -2.313 -5.278 -11.550 1.00 0.00 C ATOM 0 H MET A 18 -1.591 -0.665 -7.621 1.00 0.00 H new ATOM 0 HA MET A 18 -3.882 -1.340 -9.485 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.502 -0.715 -10.331 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.908 -2.121 -9.470 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.212 -2.945 -11.018 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.159 -2.025 -12.076 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.830 -6.250 -11.648 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.012 -5.303 -10.714 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.854 -5.047 -12.468 1.00 0.00 H new ATOM 277 N ALA A 19 -2.132 -3.463 -7.692 1.00 0.00 N ATOM 278 CA ALA A 19 -2.271 -4.768 -6.993 1.00 0.00 C ATOM 279 C ALA A 19 -3.343 -4.670 -5.911 1.00 0.00 C ATOM 280 O ALA A 19 -3.890 -5.662 -5.471 1.00 0.00 O ATOM 281 CB ALA A 19 -0.904 -5.022 -6.366 1.00 0.00 C ATOM 0 H ALA A 19 -1.199 -3.051 -7.663 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.569 -5.572 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.921 -5.970 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.146 -5.062 -7.149 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.667 -4.216 -5.672 1.00 0.00 H new ATOM 287 N ILE A 20 -3.654 -3.478 -5.489 1.00 0.00 N ATOM 288 CA ILE A 20 -4.696 -3.312 -4.441 1.00 0.00 C ATOM 289 C ILE A 20 -6.075 -3.515 -5.057 1.00 0.00 C ATOM 290 O ILE A 20 -6.948 -4.120 -4.466 1.00 0.00 O ATOM 291 CB ILE A 20 -4.538 -1.879 -3.940 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.024 -0.906 -5.017 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.065 -1.604 -3.632 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.094 0.507 -4.434 1.00 0.00 C ATOM 0 H ILE A 20 -3.232 -2.612 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.591 -4.033 -3.630 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.129 -1.744 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.348 -0.925 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.006 -1.210 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.953 -0.580 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.718 -2.296 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.473 -1.739 -4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.440 1.200 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.788 0.520 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.104 0.809 -4.092 1.00 0.00 H new ATOM 306 N GLU A 21 -6.275 -3.032 -6.252 1.00 0.00 N ATOM 307 CA GLU A 21 -7.592 -3.223 -6.905 1.00 0.00 C ATOM 308 C GLU A 21 -7.967 -4.696 -6.799 1.00 0.00 C ATOM 309 O GLU A 21 -9.113 -5.050 -6.607 1.00 0.00 O ATOM 310 CB GLU A 21 -7.385 -2.810 -8.363 1.00 0.00 C ATOM 311 CG GLU A 21 -8.665 -3.078 -9.157 1.00 0.00 C ATOM 312 CD GLU A 21 -8.425 -2.760 -10.634 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.344 -3.057 -11.115 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.326 -2.226 -11.259 1.00 0.00 O ATOM 0 H GLU A 21 -5.585 -2.517 -6.799 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.392 -2.639 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.124 -1.753 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.553 -3.367 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.965 -4.120 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.480 -2.467 -8.770 1.00 0.00 H new ATOM 321 N VAL A 22 -6.994 -5.560 -6.896 1.00 0.00 N ATOM 322 CA VAL A 22 -7.281 -7.017 -6.772 1.00 0.00 C ATOM 323 C VAL A 22 -7.590 -7.336 -5.311 1.00 0.00 C ATOM 324 O VAL A 22 -8.513 -8.055 -4.998 1.00 0.00 O ATOM 325 CB VAL A 22 -6.004 -7.721 -7.228 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.915 -9.096 -6.562 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.032 -7.893 -8.748 1.00 0.00 C ATOM 0 H VAL A 22 -6.015 -5.321 -7.055 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.136 -7.336 -7.368 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.138 -7.122 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.004 -9.599 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.896 -8.975 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.781 -9.694 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.121 -8.395 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.898 -8.492 -9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.097 -6.914 -9.224 1.00 0.00 H new ATOM 337 N VAL A 23 -6.826 -6.782 -4.416 1.00 0.00 N ATOM 338 CA VAL A 23 -7.070 -6.996 -2.966 1.00 0.00 C ATOM 339 C VAL A 23 -8.354 -6.275 -2.560 1.00 0.00 C ATOM 340 O VAL A 23 -9.012 -6.632 -1.605 1.00 0.00 O ATOM 341 CB VAL A 23 -5.848 -6.442 -2.254 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.268 -5.271 -1.372 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.225 -7.539 -1.386 1.00 0.00 C ATOM 0 H VAL A 23 -6.031 -6.181 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.207 -8.046 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.118 -6.102 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.394 -4.870 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.715 -4.492 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.996 -5.613 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.348 -7.144 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.953 -7.877 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.930 -8.378 -2.016 1.00 0.00 H new ATOM 353 N ASP A 24 -8.680 -5.221 -3.259 1.00 0.00 N ATOM 354 CA ASP A 24 -9.909 -4.454 -2.932 1.00 0.00 C ATOM 355 C ASP A 24 -11.107 -5.240 -3.435 1.00 0.00 C ATOM 356 O ASP A 24 -12.161 -5.270 -2.833 1.00 0.00 O ATOM 357 CB ASP A 24 -9.765 -3.128 -3.674 1.00 0.00 C ATOM 358 CG ASP A 24 -10.562 -2.045 -2.944 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.780 -2.105 -2.985 1.00 0.00 O ATOM 360 OD2 ASP A 24 -9.941 -1.174 -2.359 1.00 0.00 O ATOM 0 H ASP A 24 -8.142 -4.859 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.046 -4.284 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.714 -2.844 -3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.125 -3.231 -4.698 1.00 0.00 H new ATOM 365 N GLU A 25 -10.930 -5.882 -4.551 1.00 0.00 N ATOM 366 CA GLU A 25 -12.020 -6.696 -5.136 1.00 0.00 C ATOM 367 C GLU A 25 -12.442 -7.769 -4.134 1.00 0.00 C ATOM 368 O GLU A 25 -13.611 -8.011 -3.915 1.00 0.00 O ATOM 369 CB GLU A 25 -11.388 -7.324 -6.377 1.00 0.00 C ATOM 370 CG GLU A 25 -12.139 -6.862 -7.627 1.00 0.00 C ATOM 371 CD GLU A 25 -12.658 -8.081 -8.391 1.00 0.00 C ATOM 372 OE1 GLU A 25 -11.840 -8.868 -8.838 1.00 0.00 O ATOM 373 OE2 GLU A 25 -13.865 -8.207 -8.516 1.00 0.00 O ATOM 0 H GLU A 25 -10.063 -5.876 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.913 -6.120 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.338 -7.040 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.420 -8.411 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.970 -6.215 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.478 -6.274 -8.264 1.00 0.00 H new ATOM 380 N ALA A 26 -11.486 -8.411 -3.520 1.00 0.00 N ATOM 381 CA ALA A 26 -11.811 -9.467 -2.521 1.00 0.00 C ATOM 382 C ALA A 26 -12.187 -8.830 -1.188 1.00 0.00 C ATOM 383 O ALA A 26 -13.104 -9.262 -0.515 1.00 0.00 O ATOM 384 CB ALA A 26 -10.528 -10.277 -2.375 1.00 0.00 C ATOM 0 H ALA A 26 -10.490 -8.248 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.654 -10.084 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.684 -11.079 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.256 -10.705 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.725 -9.627 -2.027 1.00 0.00 H new ATOM 390 N LYS A 27 -11.481 -7.806 -0.794 1.00 0.00 N ATOM 391 CA LYS A 27 -11.802 -7.162 0.507 1.00 0.00 C ATOM 392 C LYS A 27 -13.162 -6.483 0.408 1.00 0.00 C ATOM 393 O LYS A 27 -13.855 -6.309 1.390 1.00 0.00 O ATOM 394 CB LYS A 27 -10.690 -6.132 0.719 1.00 0.00 C ATOM 395 CG LYS A 27 -9.449 -6.841 1.264 1.00 0.00 C ATOM 396 CD LYS A 27 -9.878 -7.968 2.210 1.00 0.00 C ATOM 397 CE LYS A 27 -10.162 -9.242 1.405 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.819 -9.791 1.067 1.00 0.00 N ATOM 0 H LYS A 27 -10.705 -7.392 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.853 -7.870 1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.455 -5.633 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.019 -5.361 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.859 -7.247 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.814 -6.130 1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.094 -8.157 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.768 -7.671 2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.745 -9.955 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.736 -9.021 0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.674 -9.745 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.085 -9.231 1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.760 -10.781 1.381 1.00 0.00 H new ATOM 412 N LYS A 28 -13.574 -6.154 -0.783 1.00 0.00 N ATOM 413 CA LYS A 28 -14.914 -5.543 -0.956 1.00 0.00 C ATOM 414 C LYS A 28 -15.957 -6.613 -0.659 1.00 0.00 C ATOM 415 O LYS A 28 -16.904 -6.404 0.073 1.00 0.00 O ATOM 416 CB LYS A 28 -14.971 -5.139 -2.425 1.00 0.00 C ATOM 417 CG LYS A 28 -15.101 -3.620 -2.537 1.00 0.00 C ATOM 418 CD LYS A 28 -15.499 -3.246 -3.966 1.00 0.00 C ATOM 419 CE LYS A 28 -16.111 -1.843 -3.976 1.00 0.00 C ATOM 420 NZ LYS A 28 -17.341 -1.967 -4.807 1.00 0.00 N ATOM 0 H LYS A 28 -13.039 -6.283 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.096 -4.690 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.071 -5.476 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.817 -5.623 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.849 -3.255 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.157 -3.143 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.626 -3.278 -4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.215 -3.969 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.349 -1.508 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.420 -1.114 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.818 -1.044 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.083 -2.281 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.982 -2.663 -4.376 1.00 0.00 H new ATOM 434 N GLU A 29 -15.755 -7.774 -1.216 1.00 0.00 N ATOM 435 CA GLU A 29 -16.690 -8.903 -0.984 1.00 0.00 C ATOM 436 C GLU A 29 -16.970 -9.023 0.510 1.00 0.00 C ATOM 437 O GLU A 29 -18.090 -9.221 0.936 1.00 0.00 O ATOM 438 CB GLU A 29 -15.912 -10.118 -1.499 1.00 0.00 C ATOM 439 CG GLU A 29 -15.619 -11.095 -0.355 1.00 0.00 C ATOM 440 CD GLU A 29 -16.790 -12.068 -0.202 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.500 -12.267 -1.173 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.954 -12.599 0.884 1.00 0.00 O ATOM 0 H GLU A 29 -14.970 -7.989 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.656 -8.791 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.486 -10.622 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.977 -9.792 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.700 -11.645 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.464 -10.547 0.574 1.00 0.00 H new ATOM 449 N PHE A 30 -15.964 -8.856 1.306 1.00 0.00 N ATOM 450 CA PHE A 30 -16.146 -8.946 2.777 1.00 0.00 C ATOM 451 C PHE A 30 -16.487 -7.558 3.323 1.00 0.00 C ATOM 452 O PHE A 30 -17.494 -7.372 3.979 1.00 0.00 O ATOM 453 CB PHE A 30 -14.790 -9.422 3.319 1.00 0.00 C ATOM 454 CG PHE A 30 -14.306 -8.475 4.394 1.00 0.00 C ATOM 455 CD1 PHE A 30 -15.135 -8.163 5.477 1.00 0.00 C ATOM 456 CD2 PHE A 30 -13.031 -7.907 4.304 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.688 -7.285 6.470 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.584 -7.029 5.297 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.413 -6.717 6.380 1.00 0.00 C ATOM 0 H PHE A 30 -15.011 -8.659 1.001 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.951 -9.622 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.884 -10.429 3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.061 -9.471 2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.120 -8.600 5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.391 -8.146 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.328 -7.046 7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.599 -6.592 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.069 -6.038 7.146 1.00 0.00 H new ATOM 469 N GLY A 31 -15.632 -6.604 3.099 1.00 0.00 N ATOM 470 CA GLY A 31 -15.890 -5.218 3.581 1.00 0.00 C ATOM 471 C GLY A 31 -16.499 -4.349 2.478 1.00 0.00 C ATOM 472 O GLY A 31 -15.794 -3.562 1.867 1.00 0.00 O ATOM 0 H GLY A 31 -14.753 -6.725 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.564 -5.248 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.957 -4.771 3.926 1.00 0.00 H new ATOM 476 N ASP A 32 -17.755 -4.474 2.194 1.00 0.00 N ATOM 477 CA ASP A 32 -18.341 -3.632 1.112 1.00 0.00 C ATOM 478 C ASP A 32 -17.644 -2.265 1.069 1.00 0.00 C ATOM 479 O ASP A 32 -17.575 -1.623 0.045 1.00 0.00 O ATOM 480 CB ASP A 32 -19.809 -3.466 1.520 1.00 0.00 C ATOM 481 CG ASP A 32 -20.266 -2.033 1.236 1.00 0.00 C ATOM 482 OD1 ASP A 32 -19.825 -1.140 1.941 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.049 -1.853 0.318 1.00 0.00 O ATOM 0 H ASP A 32 -18.402 -5.114 2.655 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.227 -4.077 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.431 -4.172 0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.930 -3.693 2.579 1.00 0.00 H new ATOM 488 N LYS A 33 -17.129 -1.825 2.183 1.00 0.00 N ATOM 489 CA LYS A 33 -16.397 -0.529 2.245 1.00 0.00 C ATOM 490 C LYS A 33 -14.907 -0.717 1.938 1.00 0.00 C ATOM 491 O LYS A 33 -14.369 -1.795 2.105 1.00 0.00 O ATOM 492 CB LYS A 33 -16.628 0.012 3.642 1.00 0.00 C ATOM 493 CG LYS A 33 -17.776 -0.755 4.294 1.00 0.00 C ATOM 494 CD LYS A 33 -18.509 0.162 5.274 1.00 0.00 C ATOM 495 CE LYS A 33 -19.675 0.848 4.559 1.00 0.00 C ATOM 496 NZ LYS A 33 -20.716 1.030 5.609 1.00 0.00 N ATOM 0 H LYS A 33 -17.186 -2.321 3.073 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.760 0.173 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.722 -0.090 4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.863 1.075 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.466 -1.116 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.392 -1.631 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.878 -0.415 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.822 0.909 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.370 1.805 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.047 0.238 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.549 1.495 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.991 0.102 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.336 1.620 6.376 1.00 0.00 H new ATOM 510 N ILE A 34 -14.227 0.319 1.534 1.00 0.00 N ATOM 511 CA ILE A 34 -12.768 0.173 1.270 1.00 0.00 C ATOM 512 C ILE A 34 -11.976 1.272 1.993 1.00 0.00 C ATOM 513 O ILE A 34 -12.455 2.366 2.209 1.00 0.00 O ATOM 514 CB ILE A 34 -12.639 0.342 -0.242 1.00 0.00 C ATOM 515 CG1 ILE A 34 -12.532 -1.033 -0.902 1.00 0.00 C ATOM 516 CG2 ILE A 34 -11.387 1.160 -0.564 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.364 -2.045 -0.111 1.00 0.00 C ATOM 0 H ILE A 34 -14.612 1.250 1.376 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.377 -0.781 1.623 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.518 0.862 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.885 -0.982 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.490 -1.351 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.298 1.279 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.463 2.141 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.507 0.643 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.288 -3.025 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.991 -2.103 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.407 -1.728 -0.099 1.00 0.00 H new ATOM 529 N ASP A 35 -10.755 0.980 2.354 1.00 0.00 N ATOM 530 CA ASP A 35 -9.915 1.987 3.052 1.00 0.00 C ATOM 531 C ASP A 35 -8.498 1.921 2.492 1.00 0.00 C ATOM 532 O ASP A 35 -7.548 1.642 3.201 1.00 0.00 O ATOM 533 CB ASP A 35 -9.935 1.580 4.528 1.00 0.00 C ATOM 534 CG ASP A 35 -10.763 2.590 5.326 1.00 0.00 C ATOM 535 OD1 ASP A 35 -10.455 3.768 5.254 1.00 0.00 O ATOM 536 OD2 ASP A 35 -11.690 2.167 5.997 1.00 0.00 O ATOM 0 H ASP A 35 -10.303 0.080 2.193 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.277 3.007 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.359 0.581 4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.918 1.538 4.918 1.00 0.00 H new ATOM 541 N VAL A 36 -8.345 2.183 1.226 1.00 0.00 N ATOM 542 CA VAL A 36 -6.989 2.105 0.629 1.00 0.00 C ATOM 543 C VAL A 36 -6.320 3.472 0.696 1.00 0.00 C ATOM 544 O VAL A 36 -6.737 4.428 0.067 1.00 0.00 O ATOM 545 CB VAL A 36 -7.237 1.720 -0.843 1.00 0.00 C ATOM 546 CG1 VAL A 36 -5.898 1.513 -1.557 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.046 0.421 -0.901 1.00 0.00 C ATOM 0 H VAL A 36 -9.094 2.445 0.585 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.344 1.394 1.145 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.790 2.520 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.078 1.241 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.319 2.435 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.343 0.715 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.222 0.148 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.491 -0.376 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.002 0.565 -0.397 1.00 0.00 H new ATOM 557 N GLU A 37 -5.246 3.565 1.441 1.00 0.00 N ATOM 558 CA GLU A 37 -4.565 4.888 1.568 1.00 0.00 C ATOM 559 C GLU A 37 -3.380 4.915 0.601 1.00 0.00 C ATOM 560 O GLU A 37 -2.712 3.939 0.383 1.00 0.00 O ATOM 561 CB GLU A 37 -4.029 4.910 3.015 1.00 0.00 C ATOM 562 CG GLU A 37 -5.195 5.023 3.997 1.00 0.00 C ATOM 563 CD GLU A 37 -4.774 5.869 5.200 1.00 0.00 C ATOM 564 OE1 GLU A 37 -3.797 6.590 5.080 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.436 5.781 6.221 1.00 0.00 O ATOM 0 H GLU A 37 -4.818 2.796 1.958 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.222 5.730 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.459 4.003 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.347 5.750 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.055 5.476 3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.503 4.031 4.327 1.00 0.00 H new ATOM 572 N LYS A 38 -3.169 6.037 -0.028 1.00 0.00 N ATOM 573 CA LYS A 38 -2.087 6.150 -1.048 1.00 0.00 C ATOM 574 C LYS A 38 -1.329 7.472 -0.929 1.00 0.00 C ATOM 575 O LYS A 38 -1.936 8.521 -0.834 1.00 0.00 O ATOM 576 CB LYS A 38 -2.764 6.023 -2.399 1.00 0.00 C ATOM 577 CG LYS A 38 -3.816 7.116 -2.528 1.00 0.00 C ATOM 578 CD LYS A 38 -5.099 6.676 -1.821 1.00 0.00 C ATOM 579 CE LYS A 38 -6.245 6.624 -2.833 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.342 7.417 -2.212 1.00 0.00 N ATOM 0 H LYS A 38 -3.706 6.891 0.122 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.339 5.370 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.029 6.111 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.227 5.041 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.447 8.044 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.019 7.318 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.958 5.696 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.341 7.371 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.945 7.048 -3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.558 5.597 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.165 7.428 -2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.611 6.986 -1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.017 8.391 -2.050 1.00 0.00 H new ATOM 594 N ILE A 39 -0.029 7.438 -0.905 1.00 0.00 N ATOM 595 CA ILE A 39 0.755 8.703 -0.799 1.00 0.00 C ATOM 596 C ILE A 39 1.967 8.649 -1.746 1.00 0.00 C ATOM 597 O ILE A 39 2.239 7.640 -2.361 1.00 0.00 O ATOM 598 CB ILE A 39 1.204 8.777 0.647 1.00 0.00 C ATOM 599 CG1 ILE A 39 1.049 7.398 1.290 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.345 9.793 1.398 1.00 0.00 C ATOM 601 CD1 ILE A 39 1.255 7.517 2.800 1.00 0.00 C ATOM 0 H ILE A 39 0.530 6.586 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 39 0.169 9.578 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 39 2.248 9.087 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.059 6.994 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.774 6.703 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.669 9.845 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.453 10.774 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.700 9.486 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.145 6.535 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.254 7.903 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.513 8.198 3.216 1.00 0.00 H new ATOM 613 N ASP A 40 2.678 9.736 -1.882 1.00 0.00 N ATOM 614 CA ASP A 40 3.875 9.747 -2.764 1.00 0.00 C ATOM 615 C ASP A 40 5.168 9.732 -1.936 1.00 0.00 C ATOM 616 O ASP A 40 5.148 9.918 -0.735 1.00 0.00 O ATOM 617 CB ASP A 40 3.735 11.013 -3.592 1.00 0.00 C ATOM 618 CG ASP A 40 4.224 12.209 -2.781 1.00 0.00 C ATOM 619 OD1 ASP A 40 5.269 12.092 -2.165 1.00 0.00 O ATOM 620 OD2 ASP A 40 3.545 13.221 -2.790 1.00 0.00 O ATOM 0 H ASP A 40 2.478 10.621 -1.416 1.00 0.00 H new ATOM 0 HA ASP A 40 3.935 8.864 -3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.312 10.924 -4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.694 11.158 -3.881 1.00 0.00 H new ATOM 625 N ILE A 41 6.292 9.535 -2.573 1.00 0.00 N ATOM 626 CA ILE A 41 7.582 9.527 -1.822 1.00 0.00 C ATOM 627 C ILE A 41 7.996 10.939 -1.398 1.00 0.00 C ATOM 628 O ILE A 41 8.813 11.110 -0.510 1.00 0.00 O ATOM 629 CB ILE A 41 8.604 8.966 -2.811 1.00 0.00 C ATOM 630 CG1 ILE A 41 10.012 9.130 -2.236 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.505 9.730 -4.135 1.00 0.00 C ATOM 632 CD1 ILE A 41 11.043 8.955 -3.352 1.00 0.00 C ATOM 0 H ILE A 41 6.373 9.380 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 41 7.504 8.940 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 41 8.400 7.909 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.118 10.114 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.183 8.395 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.233 9.331 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.502 9.617 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.709 10.787 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.046 9.072 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.943 7.961 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.876 9.707 -4.123 1.00 0.00 H new ATOM 644 N MET A 42 7.437 11.951 -2.005 1.00 0.00 N ATOM 645 CA MET A 42 7.831 13.333 -1.609 1.00 0.00 C ATOM 646 C MET A 42 6.881 13.866 -0.531 1.00 0.00 C ATOM 647 O MET A 42 7.192 14.806 0.170 1.00 0.00 O ATOM 648 CB MET A 42 7.643 14.154 -2.895 1.00 0.00 C ATOM 649 CG MET A 42 6.224 14.729 -2.941 1.00 0.00 C ATOM 650 SD MET A 42 6.148 16.058 -4.170 1.00 0.00 S ATOM 651 CE MET A 42 4.704 16.913 -3.492 1.00 0.00 C ATOM 0 H MET A 42 6.737 11.884 -2.744 1.00 0.00 H new ATOM 0 HA MET A 42 8.843 13.379 -1.208 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.374 14.962 -2.932 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.819 13.525 -3.768 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.511 13.945 -3.194 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.943 15.111 -1.959 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.474 17.783 -4.107 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.850 16.236 -3.487 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.917 17.235 -2.473 1.00 0.00 H new ATOM 661 N VAL A 43 5.758 13.234 -0.357 1.00 0.00 N ATOM 662 CA VAL A 43 4.793 13.685 0.683 1.00 0.00 C ATOM 663 C VAL A 43 4.717 12.658 1.817 1.00 0.00 C ATOM 664 O VAL A 43 4.439 12.995 2.951 1.00 0.00 O ATOM 665 CB VAL A 43 3.453 13.808 -0.032 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.004 12.427 -0.506 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.412 14.382 0.931 1.00 0.00 C ATOM 0 H VAL A 43 5.463 12.418 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 43 5.090 14.631 1.136 1.00 0.00 H new ATOM 0 HB VAL A 43 3.556 14.472 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.045 12.512 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.747 12.018 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.899 11.764 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.453 14.470 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.306 13.719 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.734 15.366 1.270 1.00 0.00 H new ATOM 677 N ASP A 44 4.922 11.402 1.518 1.00 0.00 N ATOM 678 CA ASP A 44 4.827 10.371 2.591 1.00 0.00 C ATOM 679 C ASP A 44 6.187 9.718 2.841 1.00 0.00 C ATOM 680 O ASP A 44 6.299 8.503 2.897 1.00 0.00 O ATOM 681 CB ASP A 44 3.823 9.345 2.064 1.00 0.00 C ATOM 682 CG ASP A 44 3.972 8.037 2.842 1.00 0.00 C ATOM 683 OD1 ASP A 44 4.471 8.085 3.954 1.00 0.00 O ATOM 684 OD2 ASP A 44 3.584 7.009 2.312 1.00 0.00 O ATOM 0 H ASP A 44 5.148 11.049 0.588 1.00 0.00 H new ATOM 0 HA ASP A 44 4.514 10.800 3.543 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.808 9.728 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.991 9.169 1.001 1.00 0.00 H new ATOM 689 N ARG A 45 7.227 10.500 3.003 1.00 0.00 N ATOM 690 CA ARG A 45 8.562 9.867 3.225 1.00 0.00 C ATOM 691 C ARG A 45 8.519 9.006 4.491 1.00 0.00 C ATOM 692 O ARG A 45 9.389 8.200 4.736 1.00 0.00 O ATOM 693 CB ARG A 45 9.493 11.069 3.485 1.00 0.00 C ATOM 694 CG ARG A 45 10.952 10.626 3.359 1.00 0.00 C ATOM 695 CD ARG A 45 11.750 11.696 2.610 1.00 0.00 C ATOM 696 NE ARG A 45 12.992 11.005 2.164 1.00 0.00 N ATOM 697 CZ ARG A 45 14.159 11.459 2.530 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.544 12.647 2.151 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.941 10.727 3.274 1.00 0.00 N ATOM 0 H ARG A 45 7.212 11.520 2.992 1.00 0.00 H new ATOM 0 HA ARG A 45 8.875 9.237 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.282 11.866 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.310 11.475 4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.380 10.464 4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.010 9.676 2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.188 12.086 1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.979 12.543 3.257 1.00 0.00 H new ATOM 0 HE ARG A 45 12.930 10.177 1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.933 13.220 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.456 13.003 2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.640 9.798 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.853 11.083 3.559 1.00 0.00 H new ATOM 713 N GLU A 46 7.455 9.099 5.233 1.00 0.00 N ATOM 714 CA GLU A 46 7.252 8.224 6.422 1.00 0.00 C ATOM 715 C GLU A 46 7.281 6.766 5.994 1.00 0.00 C ATOM 716 O GLU A 46 7.339 5.864 6.805 1.00 0.00 O ATOM 717 CB GLU A 46 5.935 8.623 7.056 1.00 0.00 C ATOM 718 CG GLU A 46 5.606 10.071 6.696 1.00 0.00 C ATOM 719 CD GLU A 46 6.879 10.921 6.738 1.00 0.00 C ATOM 720 OE1 GLU A 46 7.890 10.418 7.199 1.00 0.00 O ATOM 721 OE2 GLU A 46 6.819 12.063 6.309 1.00 0.00 O ATOM 0 H GLU A 46 6.698 9.761 5.062 1.00 0.00 H new ATOM 0 HA GLU A 46 8.047 8.345 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.140 7.963 6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.993 8.512 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.161 10.116 5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.869 10.470 7.393 1.00 0.00 H new ATOM 728 N LYS A 47 7.123 6.530 4.727 1.00 0.00 N ATOM 729 CA LYS A 47 7.097 5.126 4.244 1.00 0.00 C ATOM 730 C LYS A 47 8.280 4.365 4.819 1.00 0.00 C ATOM 731 O LYS A 47 8.145 3.387 5.508 1.00 0.00 O ATOM 732 CB LYS A 47 7.248 5.193 2.729 1.00 0.00 C ATOM 733 CG LYS A 47 8.198 4.066 2.309 1.00 0.00 C ATOM 734 CD LYS A 47 7.672 2.746 2.868 1.00 0.00 C ATOM 735 CE LYS A 47 8.844 1.795 3.117 1.00 0.00 C ATOM 736 NZ LYS A 47 8.330 0.798 4.097 1.00 0.00 N ATOM 0 H LYS A 47 7.011 7.244 4.007 1.00 0.00 H new ATOM 0 HA LYS A 47 6.177 4.624 4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.279 5.079 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.645 6.162 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.266 4.015 1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.203 4.261 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.129 2.922 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.968 2.297 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.163 1.312 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.708 2.329 3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.951 -0.036 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.312 1.222 5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.368 0.511 3.827 1.00 0.00 H new ATOM 750 N ALA A 48 9.441 4.805 4.496 1.00 0.00 N ATOM 751 CA ALA A 48 10.671 4.205 5.020 1.00 0.00 C ATOM 752 C ALA A 48 10.751 4.326 6.525 1.00 0.00 C ATOM 753 O ALA A 48 11.772 4.038 7.119 1.00 0.00 O ATOM 754 CB ALA A 48 11.828 4.749 4.244 1.00 0.00 C ATOM 0 H ALA A 48 9.594 5.590 3.863 1.00 0.00 H new ATOM 0 HA ALA A 48 10.687 3.126 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.754 4.314 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.710 4.497 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.864 5.833 4.356 1.00 0.00 H new ATOM 760 N ILE A 49 9.772 4.915 7.149 1.00 0.00 N ATOM 761 CA ILE A 49 9.904 5.101 8.606 1.00 0.00 C ATOM 762 C ILE A 49 10.645 3.864 9.073 1.00 0.00 C ATOM 763 O ILE A 49 11.536 3.904 9.894 1.00 0.00 O ATOM 764 CB ILE A 49 8.471 5.138 9.144 1.00 0.00 C ATOM 765 CG1 ILE A 49 7.605 4.121 8.383 1.00 0.00 C ATOM 766 CG2 ILE A 49 7.893 6.542 8.959 1.00 0.00 C ATOM 767 CD1 ILE A 49 6.128 4.491 8.538 1.00 0.00 C ATOM 0 H ILE A 49 8.913 5.264 6.724 1.00 0.00 H new ATOM 0 HA ILE A 49 10.429 6.000 8.928 1.00 0.00 H new ATOM 0 HB ILE A 49 8.477 4.884 10.204 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.880 4.111 7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.782 3.117 8.768 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.873 6.569 9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.504 7.262 9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.890 6.797 7.899 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.514 3.770 7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.859 4.479 9.594 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.958 5.488 8.132 1.00 0.00 H new ATOM 779 N GLU A 50 10.293 2.759 8.476 1.00 0.00 N ATOM 780 CA GLU A 50 10.965 1.476 8.781 1.00 0.00 C ATOM 781 C GLU A 50 12.477 1.630 8.582 1.00 0.00 C ATOM 782 O GLU A 50 13.260 1.275 9.439 1.00 0.00 O ATOM 783 CB GLU A 50 10.371 0.508 7.758 1.00 0.00 C ATOM 784 CG GLU A 50 9.337 -0.383 8.444 1.00 0.00 C ATOM 785 CD GLU A 50 9.561 -1.839 8.031 1.00 0.00 C ATOM 786 OE1 GLU A 50 10.439 -2.075 7.217 1.00 0.00 O ATOM 787 OE2 GLU A 50 8.849 -2.692 8.535 1.00 0.00 O ATOM 0 H GLU A 50 9.553 2.696 7.777 1.00 0.00 H new ATOM 0 HA GLU A 50 10.818 1.135 9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.906 1.063 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.159 -0.103 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.418 -0.285 9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.330 -0.067 8.170 1.00 0.00 H new ATOM 794 N TYR A 51 12.900 2.170 7.463 1.00 0.00 N ATOM 795 CA TYR A 51 14.373 2.354 7.241 1.00 0.00 C ATOM 796 C TYR A 51 14.683 3.812 6.919 1.00 0.00 C ATOM 797 O TYR A 51 15.759 4.312 7.182 1.00 0.00 O ATOM 798 CB TYR A 51 14.739 1.478 6.039 1.00 0.00 C ATOM 799 CG TYR A 51 13.717 1.618 4.933 1.00 0.00 C ATOM 800 CD1 TYR A 51 12.390 1.244 5.148 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.111 2.102 3.680 1.00 0.00 C ATOM 802 CE1 TYR A 51 11.455 1.351 4.115 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.174 2.214 2.647 1.00 0.00 C ATOM 804 CZ TYR A 51 11.846 1.838 2.864 1.00 0.00 C ATOM 805 OH TYR A 51 10.922 1.940 1.844 1.00 0.00 O ATOM 0 H TYR A 51 12.299 2.488 6.702 1.00 0.00 H new ATOM 0 HA TYR A 51 14.939 2.079 8.131 1.00 0.00 H new ATOM 0 HB2 TYR A 51 15.724 1.759 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.802 0.435 6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.085 0.871 6.115 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.138 2.389 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.429 1.057 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.477 2.591 1.682 1.00 0.00 H new ATOM 0 HH TYR A 51 11.358 2.297 1.042 1.00 0.00 H new ATOM 815 N GLY A 52 13.737 4.480 6.340 1.00 0.00 N ATOM 816 CA GLY A 52 13.919 5.908 5.970 1.00 0.00 C ATOM 817 C GLY A 52 15.318 6.161 5.390 1.00 0.00 C ATOM 818 O GLY A 52 15.730 7.287 5.225 1.00 0.00 O ATOM 0 H GLY A 52 12.825 4.092 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.163 6.196 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.768 6.535 6.849 1.00 0.00 H new ATOM 822 N LEU A 53 16.048 5.132 5.091 1.00 0.00 N ATOM 823 CA LEU A 53 17.388 5.302 4.472 1.00 0.00 C ATOM 824 C LEU A 53 17.206 5.439 2.962 1.00 0.00 C ATOM 825 O LEU A 53 17.595 6.400 2.332 1.00 0.00 O ATOM 826 CB LEU A 53 18.203 4.084 4.873 1.00 0.00 C ATOM 827 CG LEU A 53 18.430 4.101 6.388 1.00 0.00 C ATOM 828 CD1 LEU A 53 18.443 2.666 6.913 1.00 0.00 C ATOM 829 CD2 LEU A 53 19.772 4.769 6.699 1.00 0.00 C ATOM 0 H LEU A 53 15.771 4.164 5.251 1.00 0.00 H new ATOM 0 HA LEU A 53 17.913 6.197 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 53 17.682 3.172 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.160 4.085 4.351 1.00 0.00 H new ATOM 0 HG LEU A 53 17.628 4.660 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 53 18.604 2.674 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.488 2.189 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.246 2.109 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.932 4.780 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 53 20.576 4.211 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.765 5.792 6.323 1.00 0.00 H new ATOM 841 N MET A 54 16.665 4.401 2.389 1.00 0.00 N ATOM 842 CA MET A 54 16.384 4.361 0.938 1.00 0.00 C ATOM 843 C MET A 54 14.874 4.406 0.749 1.00 0.00 C ATOM 844 O MET A 54 14.283 3.448 0.270 1.00 0.00 O ATOM 845 CB MET A 54 16.980 3.054 0.456 1.00 0.00 C ATOM 846 CG MET A 54 18.504 3.177 0.408 1.00 0.00 C ATOM 847 SD MET A 54 19.188 1.762 -0.489 1.00 0.00 S ATOM 848 CE MET A 54 19.845 0.879 0.947 1.00 0.00 C ATOM 0 H MET A 54 16.399 3.553 2.889 1.00 0.00 H new ATOM 0 HA MET A 54 16.807 5.196 0.379 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.691 2.242 1.123 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.593 2.808 -0.533 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.790 4.107 -0.083 1.00 0.00 H new ATOM 0 HG3 MET A 54 18.910 3.212 1.419 1.00 0.00 H new ATOM 0 HE1 MET A 54 20.321 -0.045 0.619 1.00 0.00 H new ATOM 0 HE2 MET A 54 20.579 1.505 1.455 1.00 0.00 H new ATOM 0 HE3 MET A 54 19.031 0.644 1.633 1.00 0.00 H new ATOM 858 N ALA A 55 14.234 5.457 1.153 1.00 0.00 N ATOM 859 CA ALA A 55 12.747 5.467 1.078 1.00 0.00 C ATOM 860 C ALA A 55 12.260 6.200 -0.165 1.00 0.00 C ATOM 861 O ALA A 55 12.304 7.404 -0.282 1.00 0.00 O ATOM 862 CB ALA A 55 12.349 6.288 2.323 1.00 0.00 C ATOM 0 H ALA A 55 14.664 6.302 1.528 1.00 0.00 H new ATOM 0 HA ALA A 55 12.327 4.462 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.263 6.365 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.722 5.793 3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.781 7.286 2.254 1.00 0.00 H new ATOM 868 N VAL A 56 11.760 5.434 -1.109 1.00 0.00 N ATOM 869 CA VAL A 56 11.240 6.033 -2.366 1.00 0.00 C ATOM 870 C VAL A 56 10.055 5.213 -2.903 1.00 0.00 C ATOM 871 O VAL A 56 8.928 5.673 -2.830 1.00 0.00 O ATOM 872 CB VAL A 56 12.409 6.037 -3.350 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.891 5.792 -4.770 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.105 7.399 -3.296 1.00 0.00 C ATOM 0 H VAL A 56 11.693 4.418 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 56 10.867 7.045 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 56 13.112 5.249 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.728 5.796 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.388 4.826 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.188 6.580 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.940 7.409 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.396 8.181 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.475 7.579 -2.287 1.00 0.00 H new ATOM 884 N PRO A 57 10.302 3.990 -3.331 1.00 0.00 N ATOM 885 CA PRO A 57 9.188 3.167 -3.838 1.00 0.00 C ATOM 886 C PRO A 57 8.833 2.079 -2.808 1.00 0.00 C ATOM 887 O PRO A 57 9.367 0.998 -2.792 1.00 0.00 O ATOM 888 CB PRO A 57 9.874 2.454 -5.028 1.00 0.00 C ATOM 889 CG PRO A 57 11.358 2.454 -4.724 1.00 0.00 C ATOM 890 CD PRO A 57 11.582 3.319 -3.504 1.00 0.00 C ATOM 0 HA PRO A 57 8.286 3.735 -4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.500 1.436 -5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.669 2.974 -5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.710 1.439 -4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.922 2.839 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.845 2.722 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.392 4.031 -3.659 1.00 0.00 H new ATOM 898 N ALA A 58 7.867 2.373 -1.970 1.00 0.00 N ATOM 899 CA ALA A 58 7.449 1.379 -0.941 1.00 0.00 C ATOM 900 C ALA A 58 5.982 1.576 -0.566 1.00 0.00 C ATOM 901 O ALA A 58 5.309 2.451 -1.071 1.00 0.00 O ATOM 902 CB ALA A 58 8.337 1.618 0.280 1.00 0.00 C ATOM 0 H ALA A 58 7.355 3.255 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 58 7.555 0.362 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.071 0.913 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.382 1.476 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.193 2.636 0.641 1.00 0.00 H new ATOM 908 N ILE A 59 5.482 0.751 0.308 1.00 0.00 N ATOM 909 CA ILE A 59 4.059 0.876 0.709 1.00 0.00 C ATOM 910 C ILE A 59 3.863 0.406 2.144 1.00 0.00 C ATOM 911 O ILE A 59 4.501 -0.536 2.588 1.00 0.00 O ATOM 912 CB ILE A 59 3.313 -0.064 -0.243 1.00 0.00 C ATOM 913 CG1 ILE A 59 3.149 0.608 -1.609 1.00 0.00 C ATOM 914 CG2 ILE A 59 1.934 -0.384 0.338 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.968 -0.153 -2.653 1.00 0.00 C ATOM 0 H ILE A 59 5.998 -0.003 0.761 1.00 0.00 H new ATOM 0 HA ILE A 59 3.707 1.906 0.657 1.00 0.00 H new ATOM 0 HB ILE A 59 3.883 -0.986 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.097 0.622 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.479 1.646 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.401 -1.053 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.051 -0.866 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.366 0.539 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.852 0.325 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.020 -0.144 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.617 -1.183 -2.711 1.00 0.00 H new ATOM 927 N ALA A 60 2.944 0.994 2.862 1.00 0.00 N ATOM 928 CA ALA A 60 2.745 0.507 4.244 1.00 0.00 C ATOM 929 C ALA A 60 1.875 -0.712 4.144 1.00 0.00 C ATOM 930 O ALA A 60 0.905 -0.758 3.386 1.00 0.00 O ATOM 931 CB ALA A 60 1.971 1.642 4.969 1.00 0.00 C ATOM 0 H ALA A 60 2.345 1.763 2.561 1.00 0.00 H new ATOM 0 HA ALA A 60 3.670 0.264 4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.786 1.353 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.563 2.557 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.020 1.814 4.464 1.00 0.00 H new ATOM 937 N ILE A 61 2.193 -1.727 4.898 1.00 0.00 N ATOM 938 CA ILE A 61 1.396 -2.939 4.716 1.00 0.00 C ATOM 939 C ILE A 61 0.206 -2.811 5.635 1.00 0.00 C ATOM 940 O ILE A 61 0.077 -3.399 6.681 1.00 0.00 O ATOM 941 CB ILE A 61 2.355 -4.029 5.316 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.821 -3.616 5.092 1.00 0.00 C ATOM 943 CG2 ILE A 61 2.102 -5.379 4.650 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.736 -4.831 5.268 1.00 0.00 C ATOM 0 H ILE A 61 2.936 -1.761 5.596 1.00 0.00 H new ATOM 0 HA ILE A 61 1.061 -3.140 3.698 1.00 0.00 H new ATOM 0 HB ILE A 61 2.160 -4.115 6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.942 -3.200 4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.100 -2.834 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.773 -6.126 5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.069 -5.681 4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.284 -5.296 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.772 -4.532 5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.624 -5.228 6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.464 -5.599 4.544 1.00 0.00 H new ATOM 956 N ASN A 62 -0.768 -2.059 5.137 1.00 0.00 N ATOM 957 CA ASN A 62 -2.033 -1.867 5.882 1.00 0.00 C ATOM 958 C ASN A 62 -2.446 -3.204 6.454 1.00 0.00 C ATOM 959 O ASN A 62 -3.196 -3.944 5.860 1.00 0.00 O ATOM 960 CB ASN A 62 -3.044 -1.352 4.863 1.00 0.00 C ATOM 961 CG ASN A 62 -3.187 0.167 4.999 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.160 0.738 4.547 1.00 0.00 O ATOM 963 ND2 ASN A 62 -2.253 0.849 5.603 1.00 0.00 N ATOM 0 H ASN A 62 -0.722 -1.576 4.240 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.948 -1.162 6.709 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.720 -1.607 3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.009 -1.833 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.340 1.861 5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.436 0.370 5.982 1.00 0.00 H new ATOM 970 N GLY A 63 -1.913 -3.522 7.592 1.00 0.00 N ATOM 971 CA GLY A 63 -2.195 -4.826 8.241 1.00 0.00 C ATOM 972 C GLY A 63 -1.079 -5.050 9.256 1.00 0.00 C ATOM 973 O GLY A 63 -1.313 -5.391 10.399 1.00 0.00 O ATOM 0 H GLY A 63 -1.277 -2.918 8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.169 -4.814 8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.218 -5.630 7.505 1.00 0.00 H new ATOM 977 N VAL A 64 0.144 -4.838 8.834 1.00 0.00 N ATOM 978 CA VAL A 64 1.297 -5.012 9.754 1.00 0.00 C ATOM 979 C VAL A 64 2.156 -3.729 9.822 1.00 0.00 C ATOM 980 O VAL A 64 2.297 -3.147 10.880 1.00 0.00 O ATOM 981 CB VAL A 64 2.069 -6.193 9.173 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.103 -7.359 8.984 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.658 -5.820 7.815 1.00 0.00 C ATOM 0 H VAL A 64 0.388 -4.551 7.886 1.00 0.00 H new ATOM 0 HA VAL A 64 0.990 -5.199 10.783 1.00 0.00 H new ATOM 0 HB VAL A 64 2.877 -6.466 9.852 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.639 -8.212 8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.672 -7.634 9.947 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.306 -7.064 8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.207 -6.671 7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.853 -5.549 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.335 -4.974 7.932 1.00 0.00 H new ATOM 993 N VAL A 65 2.733 -3.265 8.728 1.00 0.00 N ATOM 994 CA VAL A 65 3.567 -2.017 8.825 1.00 0.00 C ATOM 995 C VAL A 65 3.852 -1.372 7.457 1.00 0.00 C ATOM 996 O VAL A 65 3.001 -0.736 6.867 1.00 0.00 O ATOM 997 CB VAL A 65 4.881 -2.470 9.467 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.848 -1.286 9.539 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.611 -2.988 10.881 1.00 0.00 C ATOM 0 H VAL A 65 2.665 -3.683 7.800 1.00 0.00 H new ATOM 0 HA VAL A 65 3.040 -1.256 9.400 1.00 0.00 H new ATOM 0 HB VAL A 65 5.320 -3.266 8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.784 -1.608 9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.044 -0.915 8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.406 -0.491 10.139 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.548 -3.310 11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.170 -2.192 11.482 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.922 -3.831 10.834 1.00 0.00 H new ATOM 1009 N ARG A 66 5.075 -1.487 6.993 1.00 0.00 N ATOM 1010 CA ARG A 66 5.485 -0.843 5.704 1.00 0.00 C ATOM 1011 C ARG A 66 6.695 -1.581 5.111 1.00 0.00 C ATOM 1012 O ARG A 66 7.452 -2.211 5.822 1.00 0.00 O ATOM 1013 CB ARG A 66 5.875 0.573 6.126 1.00 0.00 C ATOM 1014 CG ARG A 66 5.647 1.560 4.980 1.00 0.00 C ATOM 1015 CD ARG A 66 5.404 2.964 5.551 1.00 0.00 C ATOM 1016 NE ARG A 66 4.857 2.754 6.922 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.642 3.139 7.206 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.150 4.214 6.653 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.920 2.449 8.046 1.00 0.00 N ATOM 0 H ARG A 66 5.817 -2.008 7.461 1.00 0.00 H new ATOM 0 HA ARG A 66 4.705 -0.860 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.288 0.874 6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.922 0.593 6.427 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.513 1.570 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.792 1.247 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.329 3.539 5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.703 3.523 4.931 1.00 0.00 H new ATOM 0 HE ARG A 66 5.432 2.310 7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.715 4.755 5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.201 4.513 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.305 1.610 8.480 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.971 2.749 8.269 1.00 0.00 H new ATOM 1033 N PHE A 67 6.870 -1.535 3.812 1.00 0.00 N ATOM 1034 CA PHE A 67 8.022 -2.264 3.198 1.00 0.00 C ATOM 1035 C PHE A 67 8.581 -1.520 1.981 1.00 0.00 C ATOM 1036 O PHE A 67 8.172 -0.426 1.658 1.00 0.00 O ATOM 1037 CB PHE A 67 7.441 -3.608 2.758 1.00 0.00 C ATOM 1038 CG PHE A 67 7.014 -3.546 1.303 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.592 -2.336 0.732 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.039 -4.709 0.525 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.199 -2.294 -0.612 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.646 -4.664 -0.818 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.227 -3.458 -1.385 1.00 0.00 C ATOM 0 H PHE A 67 6.272 -1.030 3.158 1.00 0.00 H new ATOM 0 HA PHE A 67 8.847 -2.363 3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.183 -4.395 2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.587 -3.865 3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.570 -1.436 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.362 -5.643 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.874 -1.362 -1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.667 -5.563 -1.416 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.925 -3.425 -2.421 1.00 0.00 H new ATOM 1053 N VAL A 68 9.536 -2.124 1.322 1.00 0.00 N ATOM 1054 CA VAL A 68 10.129 -1.524 0.095 1.00 0.00 C ATOM 1055 C VAL A 68 9.423 -2.110 -1.124 1.00 0.00 C ATOM 1056 O VAL A 68 9.399 -3.316 -1.292 1.00 0.00 O ATOM 1057 CB VAL A 68 11.605 -1.885 0.133 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.340 -1.143 -0.983 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.190 -1.478 1.488 1.00 0.00 C ATOM 0 H VAL A 68 9.935 -3.024 1.589 1.00 0.00 H new ATOM 0 HA VAL A 68 10.013 -0.442 0.042 1.00 0.00 H new ATOM 0 HB VAL A 68 11.722 -2.959 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.399 -1.402 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.921 -1.429 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.225 -0.068 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.249 -1.735 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.074 -0.403 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.665 -2.005 2.284 1.00 0.00 H new ATOM 1069 N GLY A 69 8.849 -1.311 -1.970 1.00 0.00 N ATOM 1070 CA GLY A 69 8.159 -1.896 -3.153 1.00 0.00 C ATOM 1071 C GLY A 69 7.956 -0.847 -4.246 1.00 0.00 C ATOM 1072 O GLY A 69 7.087 -0.008 -4.152 1.00 0.00 O ATOM 0 H GLY A 69 8.825 -0.294 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.745 -2.726 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.194 -2.302 -2.851 1.00 0.00 H new ATOM 1076 N ALA A 70 8.719 -0.903 -5.301 1.00 0.00 N ATOM 1077 CA ALA A 70 8.517 0.079 -6.397 1.00 0.00 C ATOM 1078 C ALA A 70 7.503 -0.504 -7.379 1.00 0.00 C ATOM 1079 O ALA A 70 6.323 -0.220 -7.277 1.00 0.00 O ATOM 1080 CB ALA A 70 9.890 0.264 -7.038 1.00 0.00 C ATOM 0 H ALA A 70 9.467 -1.580 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 70 8.130 1.040 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.816 0.978 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.592 0.638 -6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.244 -0.693 -7.422 1.00 0.00 H new ATOM 1086 N PRO A 71 7.965 -1.349 -8.269 1.00 0.00 N ATOM 1087 CA PRO A 71 7.023 -1.976 -9.216 1.00 0.00 C ATOM 1088 C PRO A 71 6.366 -3.183 -8.538 1.00 0.00 C ATOM 1089 O PRO A 71 5.740 -4.004 -9.178 1.00 0.00 O ATOM 1090 CB PRO A 71 7.940 -2.474 -10.335 1.00 0.00 C ATOM 1091 CG PRO A 71 9.283 -2.668 -9.694 1.00 0.00 C ATOM 1092 CD PRO A 71 9.355 -1.753 -8.498 1.00 0.00 C ATOM 0 HA PRO A 71 6.235 -1.306 -9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.570 -3.407 -10.761 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.994 -1.751 -11.149 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.416 -3.706 -9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.081 -2.438 -10.400 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.769 -2.265 -7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.993 -0.891 -8.694 1.00 0.00 H new ATOM 1100 N SER A 72 6.477 -3.275 -7.237 1.00 0.00 N ATOM 1101 CA SER A 72 5.858 -4.426 -6.516 1.00 0.00 C ATOM 1102 C SER A 72 4.518 -4.038 -5.882 1.00 0.00 C ATOM 1103 O SER A 72 4.363 -4.069 -4.679 1.00 0.00 O ATOM 1104 CB SER A 72 6.867 -4.797 -5.432 1.00 0.00 C ATOM 1105 OG SER A 72 7.952 -3.879 -5.466 1.00 0.00 O ATOM 0 H SER A 72 6.968 -2.605 -6.645 1.00 0.00 H new ATOM 0 HA SER A 72 5.645 -5.253 -7.194 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.389 -4.777 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.230 -5.813 -5.589 1.00 0.00 H new ATOM 0 HG SER A 72 8.769 -4.327 -5.163 1.00 0.00 H new ATOM 1111 N ARG A 73 3.542 -3.699 -6.677 1.00 0.00 N ATOM 1112 CA ARG A 73 2.213 -3.341 -6.107 1.00 0.00 C ATOM 1113 C ARG A 73 1.523 -4.605 -5.599 1.00 0.00 C ATOM 1114 O ARG A 73 0.777 -4.578 -4.642 1.00 0.00 O ATOM 1115 CB ARG A 73 1.433 -2.705 -7.254 1.00 0.00 C ATOM 1116 CG ARG A 73 1.647 -3.521 -8.528 1.00 0.00 C ATOM 1117 CD ARG A 73 2.637 -2.794 -9.440 1.00 0.00 C ATOM 1118 NE ARG A 73 1.793 -1.935 -10.315 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.332 -1.290 -11.313 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.863 -1.950 -12.306 1.00 0.00 N ATOM 1121 NH2 ARG A 73 2.341 0.015 -11.319 1.00 0.00 N ATOM 0 H ARG A 73 3.606 -3.654 -7.694 1.00 0.00 H new ATOM 0 HA ARG A 73 2.288 -2.655 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.372 -2.665 -7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.763 -1.678 -7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.026 -4.512 -8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.698 -3.664 -9.045 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.342 -2.197 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.224 -3.500 -10.027 1.00 0.00 H new ATOM 0 HE ARG A 73 0.793 -1.851 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.857 -2.970 -12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.284 -1.446 -13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.927 0.531 -10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.763 0.519 -12.099 1.00 0.00 H new ATOM 1135 N GLU A 74 1.766 -5.718 -6.238 1.00 0.00 N ATOM 1136 CA GLU A 74 1.129 -6.984 -5.787 1.00 0.00 C ATOM 1137 C GLU A 74 1.373 -7.163 -4.292 1.00 0.00 C ATOM 1138 O GLU A 74 0.499 -7.567 -3.550 1.00 0.00 O ATOM 1139 CB GLU A 74 1.814 -8.090 -6.587 1.00 0.00 C ATOM 1140 CG GLU A 74 0.759 -8.906 -7.337 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.079 -7.975 -8.216 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.393 -6.890 -8.512 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.177 -8.363 -8.577 1.00 0.00 O ATOM 0 H GLU A 74 2.377 -5.803 -7.050 1.00 0.00 H new ATOM 0 HA GLU A 74 0.051 -6.994 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.523 -7.657 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.383 -8.737 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.241 -9.666 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.117 -9.429 -6.628 1.00 0.00 H new ATOM 1150 N GLU A 75 2.559 -6.858 -3.844 1.00 0.00 N ATOM 1151 CA GLU A 75 2.861 -7.000 -2.397 1.00 0.00 C ATOM 1152 C GLU A 75 1.722 -6.393 -1.583 1.00 0.00 C ATOM 1153 O GLU A 75 1.427 -6.823 -0.486 1.00 0.00 O ATOM 1154 CB GLU A 75 4.147 -6.202 -2.200 1.00 0.00 C ATOM 1155 CG GLU A 75 5.266 -7.142 -1.755 1.00 0.00 C ATOM 1156 CD GLU A 75 5.540 -6.943 -0.263 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.859 -6.131 0.341 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.426 -7.607 0.250 1.00 0.00 O ATOM 0 H GLU A 75 3.330 -6.517 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 75 2.970 -8.037 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.424 -5.703 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.993 -5.423 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.984 -8.177 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.170 -6.945 -2.331 1.00 0.00 H new ATOM 1165 N LEU A 76 1.062 -5.409 -2.130 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.079 -4.787 -1.408 1.00 0.00 C ATOM 1167 C LEU A 76 -1.258 -5.754 -1.418 1.00 0.00 C ATOM 1168 O LEU A 76 -1.949 -5.924 -0.433 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.416 -3.522 -2.197 1.00 0.00 C ATOM 1170 CG LEU A 76 0.874 -2.813 -2.612 1.00 0.00 C ATOM 1171 CD1 LEU A 76 0.540 -1.663 -3.562 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.573 -2.260 -1.370 1.00 0.00 C ATOM 0 H LEU A 76 1.265 -5.010 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 76 0.154 -4.555 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.002 -3.778 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.029 -2.856 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 76 1.532 -3.521 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.459 -1.157 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.040 -2.056 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.118 -0.955 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.493 -1.754 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.915 -1.552 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.811 -3.079 -0.691 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.481 -6.404 -2.526 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.606 -7.374 -2.602 1.00 0.00 C ATOM 1186 C PHE A 77 -2.430 -8.448 -1.524 1.00 0.00 C ATOM 1187 O PHE A 77 -3.380 -8.910 -0.926 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.511 -7.986 -4.003 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.376 -9.487 -3.892 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -3.364 -10.232 -3.240 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.262 -10.132 -4.439 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -3.239 -11.620 -3.135 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -1.136 -11.521 -4.334 1.00 0.00 C ATOM 1194 CZ PHE A 77 -2.125 -12.265 -3.682 1.00 0.00 C ATOM 0 H PHE A 77 -0.933 -6.305 -3.381 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.577 -6.907 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.399 -7.732 -4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.654 -7.572 -4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.224 -9.734 -2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.499 -9.557 -4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.002 -12.194 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.276 -12.019 -4.756 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.028 -13.338 -3.601 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.215 -8.845 -1.281 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.940 -9.870 -0.238 1.00 0.00 C ATOM 1206 C GLU A 78 -0.980 -9.235 1.154 1.00 0.00 C ATOM 1207 O GLU A 78 -1.212 -9.900 2.145 1.00 0.00 O ATOM 1208 CB GLU A 78 0.436 -10.432 -0.567 1.00 0.00 C ATOM 1209 CG GLU A 78 0.724 -11.635 0.334 1.00 0.00 C ATOM 1210 CD GLU A 78 2.133 -12.156 0.049 1.00 0.00 C ATOM 1211 OE1 GLU A 78 2.509 -12.187 -1.112 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.813 -12.515 0.996 1.00 0.00 O ATOM 0 H GLU A 78 -0.388 -8.498 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.688 -10.663 -0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.478 -10.730 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.198 -9.666 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.635 -11.348 1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.010 -12.421 0.155 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.699 -7.962 1.243 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.695 -7.294 2.576 1.00 0.00 C ATOM 1221 C ALA A 79 -2.125 -7.092 3.064 1.00 0.00 C ATOM 1222 O ALA A 79 -2.418 -7.253 4.229 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.004 -5.950 2.349 1.00 0.00 C ATOM 0 H ALA A 79 -0.473 -7.358 0.453 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.182 -7.886 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.037 -5.399 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.009 -6.119 1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.564 -5.373 1.614 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.029 -6.767 2.184 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.441 -6.588 2.618 1.00 0.00 C ATOM 1231 C ILE A 80 -4.970 -7.925 3.136 1.00 0.00 C ATOM 1232 O ILE A 80 -5.718 -7.984 4.089 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.201 -6.122 1.381 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.172 -4.592 1.325 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.651 -6.602 1.465 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.722 -4.109 1.391 1.00 0.00 C ATOM 0 H ILE A 80 -2.853 -6.618 1.190 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.551 -5.861 3.423 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.736 -6.532 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.642 -4.242 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.744 -4.176 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.196 -6.270 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.672 -7.691 1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.120 -6.188 2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.699 -3.020 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.268 -4.448 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.165 -4.515 0.547 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.576 -9.006 2.506 1.00 0.00 N ATOM 1249 CA ASN A 81 -5.031 -10.347 2.960 1.00 0.00 C ATOM 1250 C ASN A 81 -4.301 -10.689 4.246 1.00 0.00 C ATOM 1251 O ASN A 81 -4.868 -11.301 5.157 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.656 -11.316 1.852 1.00 0.00 C ATOM 1253 CG ASN A 81 -4.162 -12.624 2.467 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -4.876 -13.607 2.486 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -2.962 -12.679 2.977 1.00 0.00 N ATOM 0 H ASN A 81 -3.957 -9.012 1.695 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.103 -10.387 3.154 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.518 -11.505 1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.880 -10.882 1.222 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.623 -13.547 3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.363 -11.854 2.961 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.067 -10.240 4.396 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.407 -10.621 5.668 1.00 0.00 C ATOM 1264 C ASP A 82 -2.670 -9.525 6.684 1.00 0.00 C ATOM 1265 O ASP A 82 -2.657 -9.757 7.881 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.883 -10.398 5.302 1.00 0.00 C ATOM 1267 CG ASP A 82 -0.040 -10.276 6.584 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -0.515 -9.661 7.524 1.00 0.00 O ATOM 1269 OD2 ASP A 82 1.065 -10.801 6.604 1.00 0.00 O ATOM 0 H ASP A 82 -2.533 -9.670 3.740 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.708 -11.602 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.521 -11.230 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.774 -9.496 4.700 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.271 -8.459 6.224 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.789 -7.402 7.141 1.00 0.00 C ATOM 1276 C GLU A 83 -5.134 -7.849 7.726 1.00 0.00 C ATOM 1277 O GLU A 83 -5.312 -7.893 8.930 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.980 -6.191 6.221 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.934 -5.165 6.847 1.00 0.00 C ATOM 1280 CD GLU A 83 -6.339 -5.763 6.960 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -6.955 -5.975 5.929 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -6.777 -5.992 8.075 1.00 0.00 O ATOM 0 H GLU A 83 -3.427 -8.274 5.233 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.128 -7.190 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.015 -5.723 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.375 -6.520 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.573 -4.874 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.961 -4.262 6.238 1.00 0.00 H new ATOM 1289 N MET A 84 -6.065 -8.179 6.881 1.00 0.00 N ATOM 1290 CA MET A 84 -7.397 -8.629 7.376 1.00 0.00 C ATOM 1291 C MET A 84 -7.274 -9.987 8.077 1.00 0.00 C ATOM 1292 O MET A 84 -8.088 -10.342 8.907 1.00 0.00 O ATOM 1293 CB MET A 84 -8.248 -8.763 6.107 1.00 0.00 C ATOM 1294 CG MET A 84 -9.272 -9.891 6.280 1.00 0.00 C ATOM 1295 SD MET A 84 -8.948 -11.196 5.066 1.00 0.00 S ATOM 1296 CE MET A 84 -9.174 -10.189 3.579 1.00 0.00 C ATOM 0 H MET A 84 -5.964 -8.158 5.866 1.00 0.00 H new ATOM 0 HA MET A 84 -7.829 -7.937 8.100 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.761 -7.823 5.902 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.608 -8.970 5.250 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.214 -10.297 7.290 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.282 -9.502 6.150 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.611 -10.800 2.789 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.839 -9.354 3.802 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.208 -9.806 3.249 1.00 0.00 H new ATOM 1306 N GLU A 85 -6.256 -10.740 7.761 1.00 0.00 N ATOM 1307 CA GLU A 85 -6.078 -12.066 8.419 1.00 0.00 C ATOM 1308 C GLU A 85 -6.216 -11.927 9.938 1.00 0.00 C ATOM 1309 O GLU A 85 -5.360 -11.295 10.535 1.00 0.00 O ATOM 1310 CB GLU A 85 -4.661 -12.506 8.048 1.00 0.00 C ATOM 1311 CG GLU A 85 -4.476 -13.983 8.400 1.00 0.00 C ATOM 1312 CD GLU A 85 -4.675 -14.178 9.904 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -3.947 -13.560 10.663 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -5.552 -14.943 10.271 1.00 0.00 O ATOM 1315 OXT GLU A 85 -7.175 -12.454 10.477 1.00 0.00 O ATOM 0 H GLU A 85 -5.541 -10.495 7.077 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.827 -12.789 8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.488 -12.351 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.929 -11.900 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.190 -14.592 7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.480 -14.315 8.108 1.00 0.00 H new TER 1322 GLU A 85