USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 796 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 55 SER OG : rot 180:sc= 0.684 USER MOD Set 1.2: A 68 GLN : amide:sc= 0.773 K(o=1.5,f=-0.29) USER MOD Set 2.1: A 22 ASN : amide:sc= -3.05! C(o=-3.8!,f=-6!) USER MOD Set 2.2: A 25 THR OG1 : rot 170:sc= -0.778 USER MOD Single : A 2 SER OG : rot 26:sc= 0.149 USER MOD Single : A 4 THR OG1 : rot -79:sc= -2.2 USER MOD Single : A 5 SER OG : rot 180:sc= 0.126 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 9 CYS SG : rot -23:sc= -0.766 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.323 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0831 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 100:sc= 0.927 USER MOD Single : A 47 THR OG1 : rot 70:sc= 0.236 USER MOD Single : A 49 THR OG1 : rot -28:sc= 0.129 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 56 SER OG : rot 180:sc= -0.225 USER MOD Single : A 62 MET CE :methyl -159:sc= -0.139 (180deg=-0.769) USER MOD Single : A 70 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.016) USER MOD Single : A 75 GLN : amide:sc= 0.418 K(o=0.42,f=-0.72) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= 0.775 K(o=0.78,f=-0.017) USER MOD Single : A 90 TYR OH : rot -133:sc= -0.442 USER MOD Single : A 94 GLN : amide:sc= -0.467 K(o=-0.47,f=-2.4) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00807 USER MOD Single : A 102 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 0.167 3.154 -1.257 1.00 0.00 N ATOM 19 CA SER A 2 -0.445 4.400 -1.692 1.00 0.00 C ATOM 20 C SER A 2 0.550 5.220 -2.508 1.00 0.00 C ATOM 21 O SER A 2 1.750 4.947 -2.494 1.00 0.00 O ATOM 22 CB SER A 2 -0.909 5.205 -0.478 1.00 0.00 C ATOM 23 OG SER A 2 -1.743 4.426 0.363 1.00 0.00 O ATOM 0 HA SER A 2 -1.307 4.168 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.042 5.552 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.449 6.091 -0.811 1.00 0.00 H new ATOM 0 HG SER A 2 -1.534 3.476 0.242 1.00 0.00 H new ATOM 29 N ILE A 3 0.057 6.220 -3.219 1.00 0.00 N ATOM 30 CA ILE A 3 0.930 7.085 -3.992 1.00 0.00 C ATOM 31 C ILE A 3 1.409 8.232 -3.113 1.00 0.00 C ATOM 32 O ILE A 3 0.681 8.689 -2.231 1.00 0.00 O ATOM 33 CB ILE A 3 0.225 7.629 -5.255 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.383 6.472 -6.056 1.00 0.00 C ATOM 35 CG2 ILE A 3 1.203 8.416 -6.121 1.00 0.00 C ATOM 36 CD1 ILE A 3 0.608 5.374 -6.386 1.00 0.00 C ATOM 0 H ILE A 3 -0.935 6.451 -3.277 1.00 0.00 H new ATOM 0 HA ILE A 3 1.785 6.499 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.574 8.302 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.210 6.045 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.800 6.864 -6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.687 8.790 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.600 9.255 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.022 7.766 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.107 4.590 -6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.424 5.786 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.007 4.955 -5.463 1.00 0.00 H new ATOM 48 N THR A 4 2.626 8.686 -3.347 1.00 0.00 N ATOM 49 CA THR A 4 3.254 9.664 -2.481 1.00 0.00 C ATOM 50 C THR A 4 2.987 11.092 -2.952 1.00 0.00 C ATOM 51 O THR A 4 2.290 11.317 -3.944 1.00 0.00 O ATOM 52 CB THR A 4 4.772 9.425 -2.432 1.00 0.00 C ATOM 53 OG1 THR A 4 5.287 9.357 -3.769 1.00 0.00 O ATOM 54 CG2 THR A 4 5.099 8.138 -1.689 1.00 0.00 C ATOM 0 H THR A 4 3.202 8.390 -4.135 1.00 0.00 H new ATOM 0 HA THR A 4 2.823 9.545 -1.487 1.00 0.00 H new ATOM 0 HB THR A 4 5.236 10.254 -1.898 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.103 8.471 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.179 7.994 -1.669 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.723 8.202 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.630 7.295 -2.197 1.00 0.00 H new ATOM 62 N SER A 5 3.560 12.043 -2.230 1.00 0.00 N ATOM 63 CA SER A 5 3.443 13.454 -2.553 1.00 0.00 C ATOM 64 C SER A 5 4.435 13.809 -3.662 1.00 0.00 C ATOM 65 O SER A 5 5.036 12.918 -4.268 1.00 0.00 O ATOM 66 CB SER A 5 3.700 14.289 -1.288 1.00 0.00 C ATOM 67 OG SER A 5 3.498 15.677 -1.515 1.00 0.00 O ATOM 0 H SER A 5 4.122 11.855 -1.400 1.00 0.00 H new ATOM 0 HA SER A 5 2.438 13.674 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.038 13.952 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.721 14.123 -0.945 1.00 0.00 H new ATOM 0 HG SER A 5 3.670 16.172 -0.687 1.00 0.00 H new ATOM 73 N THR A 6 4.600 15.106 -3.919 1.00 0.00 N ATOM 74 CA THR A 6 5.528 15.619 -4.929 1.00 0.00 C ATOM 75 C THR A 6 6.928 15.012 -4.773 1.00 0.00 C ATOM 76 O THR A 6 7.722 15.001 -5.718 1.00 0.00 O ATOM 77 CB THR A 6 5.618 17.154 -4.840 1.00 0.00 C ATOM 78 OG1 THR A 6 4.297 17.708 -4.774 1.00 0.00 O ATOM 79 CG2 THR A 6 6.349 17.740 -6.040 1.00 0.00 C ATOM 0 H THR A 6 4.088 15.839 -3.427 1.00 0.00 H new ATOM 0 HA THR A 6 5.140 15.331 -5.906 1.00 0.00 H new ATOM 0 HB THR A 6 6.179 17.407 -3.941 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.354 18.685 -4.716 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.394 18.825 -5.944 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.361 17.337 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.816 17.478 -6.954 1.00 0.00 H new ATOM 87 N ASP A 7 7.216 14.507 -3.573 1.00 0.00 N ATOM 88 CA ASP A 7 8.471 13.813 -3.283 1.00 0.00 C ATOM 89 C ASP A 7 8.743 12.713 -4.308 1.00 0.00 C ATOM 90 O ASP A 7 9.889 12.327 -4.522 1.00 0.00 O ATOM 91 CB ASP A 7 8.416 13.182 -1.889 1.00 0.00 C ATOM 92 CG ASP A 7 8.159 14.192 -0.790 1.00 0.00 C ATOM 93 OD1 ASP A 7 6.985 14.563 -0.577 1.00 0.00 O ATOM 94 OD2 ASP A 7 9.128 14.620 -0.133 1.00 0.00 O ATOM 0 H ASP A 7 6.585 14.568 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 7 9.273 14.550 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.632 12.425 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.358 12.670 -1.691 1.00 0.00 H new ATOM 99 N ILE A 8 7.686 12.215 -4.941 1.00 0.00 N ATOM 100 CA ILE A 8 7.814 11.203 -5.983 1.00 0.00 C ATOM 101 C ILE A 8 8.667 11.724 -7.147 1.00 0.00 C ATOM 102 O ILE A 8 9.497 11.000 -7.695 1.00 0.00 O ATOM 103 CB ILE A 8 6.422 10.751 -6.495 1.00 0.00 C ATOM 104 CG1 ILE A 8 6.557 9.629 -7.525 1.00 0.00 C ATOM 105 CG2 ILE A 8 5.646 11.922 -7.089 1.00 0.00 C ATOM 106 CD1 ILE A 8 5.226 9.057 -7.959 1.00 0.00 C ATOM 0 H ILE A 8 6.725 12.498 -4.749 1.00 0.00 H new ATOM 0 HA ILE A 8 8.314 10.338 -5.547 1.00 0.00 H new ATOM 0 HB ILE A 8 5.865 10.371 -5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.085 10.009 -8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.169 8.831 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.674 11.574 -7.439 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.504 12.688 -6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.205 12.342 -7.926 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.391 8.266 -8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.706 8.648 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.620 9.845 -8.407 1.00 0.00 H new ATOM 118 N CYS A 9 8.479 12.994 -7.492 1.00 0.00 N ATOM 119 CA CYS A 9 9.238 13.625 -8.562 1.00 0.00 C ATOM 120 C CYS A 9 10.658 13.921 -8.091 1.00 0.00 C ATOM 121 O CYS A 9 11.603 13.943 -8.882 1.00 0.00 O ATOM 122 CB CYS A 9 8.544 14.916 -9.009 1.00 0.00 C ATOM 123 SG CYS A 9 9.355 15.760 -10.387 1.00 0.00 S ATOM 0 H CYS A 9 7.802 13.609 -7.041 1.00 0.00 H new ATOM 0 HA CYS A 9 9.287 12.944 -9.412 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.518 14.683 -9.294 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.491 15.599 -8.161 1.00 0.00 H new ATOM 0 HG CYS A 9 10.607 15.413 -10.432 1.00 0.00 H new ATOM 129 N GLN A 10 10.796 14.138 -6.788 1.00 0.00 N ATOM 130 CA GLN A 10 12.090 14.421 -6.184 1.00 0.00 C ATOM 131 C GLN A 10 12.930 13.148 -6.118 1.00 0.00 C ATOM 132 O GLN A 10 14.145 13.177 -6.307 1.00 0.00 O ATOM 133 CB GLN A 10 11.899 14.990 -4.773 1.00 0.00 C ATOM 134 CG GLN A 10 10.983 16.205 -4.707 1.00 0.00 C ATOM 135 CD GLN A 10 11.554 17.421 -5.410 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.770 17.605 -5.474 1.00 0.00 O ATOM 137 NE2 GLN A 10 10.680 18.262 -5.940 1.00 0.00 N ATOM 0 H GLN A 10 10.020 14.123 -6.126 1.00 0.00 H new ATOM 0 HA GLN A 10 12.609 15.157 -6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.494 14.208 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.874 15.262 -4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.022 15.952 -5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.793 16.453 -3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.680 18.073 -5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.006 19.099 -6.423 1.00 0.00 H new ATOM 146 N ALA A 11 12.263 12.027 -5.865 1.00 0.00 N ATOM 147 CA ALA A 11 12.931 10.739 -5.715 1.00 0.00 C ATOM 148 C ALA A 11 13.497 10.234 -7.040 1.00 0.00 C ATOM 149 O ALA A 11 14.324 9.325 -7.063 1.00 0.00 O ATOM 150 CB ALA A 11 11.973 9.718 -5.123 1.00 0.00 C ATOM 0 H ALA A 11 11.249 11.985 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 11 13.771 10.879 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.483 8.760 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.635 10.061 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.114 9.600 -5.783 1.00 0.00 H new ATOM 156 N ALA A 12 13.048 10.823 -8.144 1.00 0.00 N ATOM 157 CA ALA A 12 13.560 10.465 -9.463 1.00 0.00 C ATOM 158 C ALA A 12 15.019 10.891 -9.613 1.00 0.00 C ATOM 159 O ALA A 12 15.727 10.426 -10.507 1.00 0.00 O ATOM 160 CB ALA A 12 12.704 11.090 -10.556 1.00 0.00 C ATOM 0 H ALA A 12 12.332 11.549 -8.152 1.00 0.00 H new ATOM 0 HA ALA A 12 13.511 9.381 -9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.101 10.812 -11.532 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.679 10.731 -10.465 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.719 12.175 -10.454 1.00 0.00 H new ATOM 166 N ASP A 13 15.463 11.776 -8.729 1.00 0.00 N ATOM 167 CA ASP A 13 16.850 12.230 -8.717 1.00 0.00 C ATOM 168 C ASP A 13 17.747 11.196 -8.040 1.00 0.00 C ATOM 169 O ASP A 13 18.961 11.184 -8.232 1.00 0.00 O ATOM 170 CB ASP A 13 16.953 13.580 -7.996 1.00 0.00 C ATOM 171 CG ASP A 13 18.383 14.058 -7.821 1.00 0.00 C ATOM 172 OD1 ASP A 13 18.969 14.585 -8.791 1.00 0.00 O ATOM 173 OD2 ASP A 13 18.922 13.930 -6.701 1.00 0.00 O ATOM 0 H ASP A 13 14.879 12.197 -8.006 1.00 0.00 H new ATOM 0 HA ASP A 13 17.186 12.353 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.393 14.328 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.482 13.498 -7.016 1.00 0.00 H new ATOM 178 N ALA A 14 17.133 10.306 -7.269 1.00 0.00 N ATOM 179 CA ALA A 14 17.875 9.290 -6.531 1.00 0.00 C ATOM 180 C ALA A 14 18.440 8.229 -7.468 1.00 0.00 C ATOM 181 O ALA A 14 19.398 7.537 -7.126 1.00 0.00 O ATOM 182 CB ALA A 14 16.989 8.646 -5.476 1.00 0.00 C ATOM 0 H ALA A 14 16.122 10.267 -7.138 1.00 0.00 H new ATOM 0 HA ALA A 14 18.712 9.781 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.558 7.890 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.642 9.408 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.131 8.178 -5.958 1.00 0.00 H new ATOM 188 N LEU A 15 17.849 8.110 -8.650 1.00 0.00 N ATOM 189 CA LEU A 15 18.301 7.139 -9.640 1.00 0.00 C ATOM 190 C LEU A 15 19.717 7.471 -10.099 1.00 0.00 C ATOM 191 O LEU A 15 19.958 8.527 -10.682 1.00 0.00 O ATOM 192 CB LEU A 15 17.351 7.104 -10.847 1.00 0.00 C ATOM 193 CG LEU A 15 16.018 6.370 -10.638 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.145 7.082 -9.616 1.00 0.00 C ATOM 195 CD2 LEU A 15 15.279 6.236 -11.960 1.00 0.00 C ATOM 0 H LEU A 15 17.054 8.675 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 15 18.301 6.154 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.134 8.131 -11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.873 6.635 -11.681 1.00 0.00 H new ATOM 0 HG LEU A 15 16.241 5.376 -10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.210 6.536 -9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.667 7.128 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.931 8.093 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.336 5.714 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.080 7.227 -12.368 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.891 5.671 -12.663 1.00 0.00 H new ATOM 207 N LYS A 16 20.649 6.568 -9.830 1.00 0.00 N ATOM 208 CA LYS A 16 22.049 6.795 -10.155 1.00 0.00 C ATOM 209 C LYS A 16 22.594 5.668 -11.024 1.00 0.00 C ATOM 210 O LYS A 16 22.209 4.508 -10.869 1.00 0.00 O ATOM 211 CB LYS A 16 22.877 6.920 -8.873 1.00 0.00 C ATOM 212 CG LYS A 16 22.824 5.685 -7.989 1.00 0.00 C ATOM 213 CD LYS A 16 23.643 5.868 -6.725 1.00 0.00 C ATOM 214 CE LYS A 16 23.695 4.584 -5.916 1.00 0.00 C ATOM 215 NZ LYS A 16 24.509 4.735 -4.685 1.00 0.00 N ATOM 0 H LYS A 16 20.460 5.669 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 16 22.122 7.727 -10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.915 7.121 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.522 7.779 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.789 5.470 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.197 4.824 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 16 24.655 6.178 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.211 6.665 -6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.682 4.284 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.111 3.785 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.518 3.836 -4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.482 4.996 -4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.098 5.479 -4.086 1.00 0.00 H new ATOM 229 N GLY A 17 23.488 6.014 -11.936 1.00 0.00 N ATOM 230 CA GLY A 17 24.057 5.030 -12.830 1.00 0.00 C ATOM 231 C GLY A 17 23.983 5.472 -14.275 1.00 0.00 C ATOM 232 O GLY A 17 23.168 6.330 -14.629 1.00 0.00 O ATOM 0 H GLY A 17 23.831 6.965 -12.073 1.00 0.00 H new ATOM 0 HA2 GLY A 17 25.097 4.851 -12.558 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.529 4.084 -12.712 1.00 0.00 H new ATOM 236 N PHE A 18 24.827 4.890 -15.111 1.00 0.00 N ATOM 237 CA PHE A 18 24.870 5.239 -16.521 1.00 0.00 C ATOM 238 C PHE A 18 24.364 4.078 -17.364 1.00 0.00 C ATOM 239 O PHE A 18 24.941 2.989 -17.358 1.00 0.00 O ATOM 240 CB PHE A 18 26.294 5.630 -16.935 1.00 0.00 C ATOM 241 CG PHE A 18 26.770 6.907 -16.296 1.00 0.00 C ATOM 242 CD1 PHE A 18 27.225 6.916 -14.987 1.00 0.00 C ATOM 243 CD2 PHE A 18 26.745 8.101 -16.999 1.00 0.00 C ATOM 244 CE1 PHE A 18 27.648 8.089 -14.394 1.00 0.00 C ATOM 245 CE2 PHE A 18 27.163 9.277 -16.410 1.00 0.00 C ATOM 246 CZ PHE A 18 27.616 9.271 -15.106 1.00 0.00 C ATOM 0 H PHE A 18 25.495 4.170 -14.835 1.00 0.00 H new ATOM 0 HA PHE A 18 24.220 6.098 -16.689 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.977 4.823 -16.670 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.333 5.738 -18.019 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.249 5.995 -14.424 1.00 0.00 H new ATOM 0 HD2 PHE A 18 26.394 8.111 -18.020 1.00 0.00 H new ATOM 0 HE1 PHE A 18 28.003 8.082 -13.374 1.00 0.00 H new ATOM 0 HE2 PHE A 18 27.136 10.201 -16.969 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.945 10.190 -14.644 1.00 0.00 H new ATOM 256 N VAL A 19 23.275 4.320 -18.076 1.00 0.00 N ATOM 257 CA VAL A 19 22.635 3.296 -18.883 1.00 0.00 C ATOM 258 C VAL A 19 23.119 3.391 -20.322 1.00 0.00 C ATOM 259 O VAL A 19 23.219 4.483 -20.872 1.00 0.00 O ATOM 260 CB VAL A 19 21.097 3.450 -18.864 1.00 0.00 C ATOM 261 CG1 VAL A 19 20.417 2.218 -19.432 1.00 0.00 C ATOM 262 CG2 VAL A 19 20.592 3.737 -17.463 1.00 0.00 C ATOM 0 H VAL A 19 22.812 5.228 -18.110 1.00 0.00 H new ATOM 0 HA VAL A 19 22.899 2.327 -18.460 1.00 0.00 H new ATOM 0 HB VAL A 19 20.845 4.301 -19.497 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.336 2.355 -19.406 1.00 0.00 H new ATOM 0 HG12 VAL A 19 20.739 2.067 -20.462 1.00 0.00 H new ATOM 0 HG13 VAL A 19 20.687 1.346 -18.836 1.00 0.00 H new ATOM 0 HG21 VAL A 19 19.507 3.840 -17.481 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.867 2.915 -16.802 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.038 4.662 -17.098 1.00 0.00 H new ATOM 272 N GLY A 20 23.430 2.255 -20.916 1.00 0.00 N ATOM 273 CA GLY A 20 23.870 2.236 -22.293 1.00 0.00 C ATOM 274 C GLY A 20 23.392 0.995 -23.009 1.00 0.00 C ATOM 275 O GLY A 20 23.225 -0.056 -22.390 1.00 0.00 O ATOM 0 H GLY A 20 23.386 1.340 -20.468 1.00 0.00 H new ATOM 0 HA2 GLY A 20 23.496 3.121 -22.808 1.00 0.00 H new ATOM 0 HA3 GLY A 20 24.958 2.282 -22.329 1.00 0.00 H new ATOM 279 N PHE A 21 23.149 1.109 -24.303 1.00 0.00 N ATOM 280 CA PHE A 21 22.709 -0.032 -25.084 1.00 0.00 C ATOM 281 C PHE A 21 23.913 -0.827 -25.558 1.00 0.00 C ATOM 282 O PHE A 21 24.819 -0.282 -26.188 1.00 0.00 O ATOM 283 CB PHE A 21 21.863 0.410 -26.281 1.00 0.00 C ATOM 284 CG PHE A 21 21.344 -0.742 -27.095 1.00 0.00 C ATOM 285 CD1 PHE A 21 20.236 -1.460 -26.673 1.00 0.00 C ATOM 286 CD2 PHE A 21 21.971 -1.116 -28.273 1.00 0.00 C ATOM 287 CE1 PHE A 21 19.762 -2.526 -27.412 1.00 0.00 C ATOM 288 CE2 PHE A 21 21.502 -2.183 -29.015 1.00 0.00 C ATOM 289 CZ PHE A 21 20.396 -2.889 -28.584 1.00 0.00 C ATOM 0 H PHE A 21 23.248 1.975 -24.832 1.00 0.00 H new ATOM 0 HA PHE A 21 22.087 -0.663 -24.448 1.00 0.00 H new ATOM 0 HB2 PHE A 21 21.021 1.003 -25.924 1.00 0.00 H new ATOM 0 HB3 PHE A 21 22.461 1.059 -26.921 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.738 -1.183 -25.756 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.836 -0.567 -28.615 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.896 -3.075 -27.074 1.00 0.00 H new ATOM 0 HE2 PHE A 21 22.000 -2.465 -29.931 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.028 -3.723 -29.162 1.00 0.00 H new ATOM 299 N ASN A 22 23.923 -2.109 -25.246 1.00 0.00 N ATOM 300 CA ASN A 22 25.025 -2.970 -25.633 1.00 0.00 C ATOM 301 C ASN A 22 24.595 -3.899 -26.761 1.00 0.00 C ATOM 302 O ASN A 22 23.733 -4.762 -26.579 1.00 0.00 O ATOM 303 CB ASN A 22 25.525 -3.764 -24.424 1.00 0.00 C ATOM 304 CG ASN A 22 26.678 -4.687 -24.761 1.00 0.00 C ATOM 305 OD1 ASN A 22 27.415 -4.463 -25.720 1.00 0.00 O ATOM 306 ND2 ASN A 22 26.850 -5.726 -23.960 1.00 0.00 N ATOM 0 H ASN A 22 23.181 -2.577 -24.726 1.00 0.00 H new ATOM 0 HA ASN A 22 25.848 -2.354 -25.997 1.00 0.00 H new ATOM 0 HB2 ASN A 22 25.838 -3.070 -23.644 1.00 0.00 H new ATOM 0 HB3 ASN A 22 24.703 -4.352 -24.016 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.617 -6.377 -24.127 1.00 0.00 H new ATOM 0 HD22 ASN A 22 26.216 -5.876 -23.175 1.00 0.00 H new ATOM 313 N ARG A 23 25.196 -3.701 -27.927 1.00 0.00 N ATOM 314 CA ARG A 23 24.836 -4.441 -29.135 1.00 0.00 C ATOM 315 C ARG A 23 24.980 -5.951 -28.966 1.00 0.00 C ATOM 316 O ARG A 23 24.178 -6.716 -29.501 1.00 0.00 O ATOM 317 CB ARG A 23 25.691 -3.971 -30.315 1.00 0.00 C ATOM 318 CG ARG A 23 27.185 -3.961 -30.022 1.00 0.00 C ATOM 319 CD ARG A 23 27.998 -3.567 -31.245 1.00 0.00 C ATOM 320 NE ARG A 23 27.532 -2.316 -31.847 1.00 0.00 N ATOM 321 CZ ARG A 23 28.341 -1.406 -32.395 1.00 0.00 C ATOM 322 NH1 ARG A 23 29.657 -1.538 -32.308 1.00 0.00 N ATOM 323 NH2 ARG A 23 27.831 -0.349 -33.013 1.00 0.00 N ATOM 0 H ARG A 23 25.946 -3.024 -28.065 1.00 0.00 H new ATOM 0 HA ARG A 23 23.784 -4.235 -29.330 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.502 -4.619 -31.170 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.379 -2.967 -30.601 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.391 -3.265 -29.209 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.495 -4.949 -29.682 1.00 0.00 H new ATOM 0 HD2 ARG A 23 29.046 -3.463 -30.963 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.945 -4.365 -31.986 1.00 0.00 H new ATOM 0 HE ARG A 23 26.529 -2.129 -31.848 1.00 0.00 H new ATOM 0 HH11 ARG A 23 30.058 -2.339 -31.820 1.00 0.00 H new ATOM 0 HH12 ARG A 23 30.269 -0.839 -32.729 1.00 0.00 H new ATOM 0 HH21 ARG A 23 26.820 -0.230 -33.070 1.00 0.00 H new ATOM 0 HH22 ARG A 23 28.450 0.345 -33.431 1.00 0.00 H new ATOM 337 N LYS A 24 25.983 -6.388 -28.217 1.00 0.00 N ATOM 338 CA LYS A 24 26.267 -7.816 -28.114 1.00 0.00 C ATOM 339 C LYS A 24 25.289 -8.527 -27.176 1.00 0.00 C ATOM 340 O LYS A 24 25.177 -9.751 -27.208 1.00 0.00 O ATOM 341 CB LYS A 24 27.717 -8.056 -27.680 1.00 0.00 C ATOM 342 CG LYS A 24 28.059 -7.517 -26.304 1.00 0.00 C ATOM 343 CD LYS A 24 29.544 -7.651 -26.006 1.00 0.00 C ATOM 344 CE LYS A 24 29.995 -9.102 -26.032 1.00 0.00 C ATOM 345 NZ LYS A 24 31.458 -9.231 -25.813 1.00 0.00 N ATOM 0 H LYS A 24 26.606 -5.786 -27.679 1.00 0.00 H new ATOM 0 HA LYS A 24 26.132 -8.245 -29.107 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.915 -9.128 -27.696 1.00 0.00 H new ATOM 0 HB3 LYS A 24 28.383 -7.598 -28.412 1.00 0.00 H new ATOM 0 HG2 LYS A 24 27.767 -6.469 -26.240 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.485 -8.054 -25.549 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.115 -7.080 -26.738 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.759 -7.221 -25.028 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.462 -9.662 -25.263 1.00 0.00 H new ATOM 0 HE3 LYS A 24 29.731 -9.547 -26.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.726 -10.236 -25.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.967 -8.718 -26.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.707 -8.829 -24.887 1.00 0.00 H new ATOM 359 N THR A 25 24.575 -7.769 -26.354 1.00 0.00 N ATOM 360 CA THR A 25 23.552 -8.351 -25.496 1.00 0.00 C ATOM 361 C THR A 25 22.161 -8.079 -26.056 1.00 0.00 C ATOM 362 O THR A 25 21.219 -8.834 -25.809 1.00 0.00 O ATOM 363 CB THR A 25 23.635 -7.808 -24.057 1.00 0.00 C ATOM 364 OG1 THR A 25 23.667 -6.376 -24.073 1.00 0.00 O ATOM 365 CG2 THR A 25 24.866 -8.343 -23.346 1.00 0.00 C ATOM 0 H THR A 25 24.684 -6.759 -26.263 1.00 0.00 H new ATOM 0 HA THR A 25 23.733 -9.426 -25.470 1.00 0.00 H new ATOM 0 HB THR A 25 22.751 -8.143 -23.515 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.558 -6.036 -23.160 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.902 -7.945 -22.332 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.820 -9.431 -23.307 1.00 0.00 H new ATOM 0 HG23 THR A 25 25.761 -8.037 -23.888 1.00 0.00 H new ATOM 373 N GLY A 26 22.043 -6.995 -26.812 1.00 0.00 N ATOM 374 CA GLY A 26 20.775 -6.637 -27.411 1.00 0.00 C ATOM 375 C GLY A 26 19.839 -6.004 -26.407 1.00 0.00 C ATOM 376 O GLY A 26 18.626 -5.986 -26.601 1.00 0.00 O ATOM 0 H GLY A 26 22.809 -6.355 -27.021 1.00 0.00 H new ATOM 0 HA2 GLY A 26 20.945 -5.945 -28.236 1.00 0.00 H new ATOM 0 HA3 GLY A 26 20.308 -7.527 -27.833 1.00 0.00 H new ATOM 380 N ARG A 27 20.408 -5.479 -25.330 1.00 0.00 N ATOM 381 CA ARG A 27 19.618 -4.895 -24.256 1.00 0.00 C ATOM 382 C ARG A 27 20.278 -3.640 -23.717 1.00 0.00 C ATOM 383 O ARG A 27 21.441 -3.355 -24.015 1.00 0.00 O ATOM 384 CB ARG A 27 19.444 -5.886 -23.103 1.00 0.00 C ATOM 385 CG ARG A 27 18.584 -7.089 -23.433 1.00 0.00 C ATOM 386 CD ARG A 27 18.395 -7.970 -22.212 1.00 0.00 C ATOM 387 NE ARG A 27 17.485 -9.078 -22.476 1.00 0.00 N ATOM 388 CZ ARG A 27 16.234 -9.133 -22.027 1.00 0.00 C ATOM 389 NH1 ARG A 27 15.752 -8.148 -21.274 1.00 0.00 N ATOM 390 NH2 ARG A 27 15.472 -10.172 -22.329 1.00 0.00 N ATOM 0 H ARG A 27 21.416 -5.446 -25.177 1.00 0.00 H new ATOM 0 HA ARG A 27 18.643 -4.645 -24.674 1.00 0.00 H new ATOM 0 HB2 ARG A 27 20.428 -6.234 -22.788 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.004 -5.363 -22.254 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.613 -6.757 -23.801 1.00 0.00 H new ATOM 0 HG3 ARG A 27 19.049 -7.665 -24.234 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.361 -8.362 -21.894 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.007 -7.370 -21.388 1.00 0.00 H new ATOM 0 HE ARG A 27 17.828 -9.857 -23.038 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.342 -7.349 -21.040 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.793 -8.191 -20.930 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.844 -10.927 -22.904 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.512 -10.217 -21.986 1.00 0.00 H new ATOM 404 N TYR A 28 19.524 -2.900 -22.922 1.00 0.00 N ATOM 405 CA TYR A 28 20.055 -1.765 -22.195 1.00 0.00 C ATOM 406 C TYR A 28 20.700 -2.243 -20.902 1.00 0.00 C ATOM 407 O TYR A 28 20.067 -2.940 -20.107 1.00 0.00 O ATOM 408 CB TYR A 28 18.941 -0.767 -21.877 1.00 0.00 C ATOM 409 CG TYR A 28 18.982 0.489 -22.714 1.00 0.00 C ATOM 410 CD1 TYR A 28 20.054 1.361 -22.619 1.00 0.00 C ATOM 411 CD2 TYR A 28 17.949 0.811 -23.583 1.00 0.00 C ATOM 412 CE1 TYR A 28 20.103 2.520 -23.363 1.00 0.00 C ATOM 413 CE2 TYR A 28 17.987 1.972 -24.334 1.00 0.00 C ATOM 414 CZ TYR A 28 19.067 2.824 -24.218 1.00 0.00 C ATOM 415 OH TYR A 28 19.114 3.982 -24.959 1.00 0.00 O ATOM 0 H TYR A 28 18.531 -3.070 -22.764 1.00 0.00 H new ATOM 0 HA TYR A 28 20.803 -1.269 -22.814 1.00 0.00 H new ATOM 0 HB2 TYR A 28 17.978 -1.256 -22.021 1.00 0.00 H new ATOM 0 HB3 TYR A 28 19.004 -0.492 -20.824 1.00 0.00 H new ATOM 0 HD1 TYR A 28 20.868 1.128 -21.948 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.103 0.146 -23.674 1.00 0.00 H new ATOM 0 HE1 TYR A 28 20.949 3.186 -23.276 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.177 2.210 -25.007 1.00 0.00 H new ATOM 0 HH TYR A 28 18.308 4.049 -25.513 1.00 0.00 H new ATOM 425 N ILE A 29 21.955 -1.884 -20.701 1.00 0.00 N ATOM 426 CA ILE A 29 22.669 -2.261 -19.494 1.00 0.00 C ATOM 427 C ILE A 29 23.075 -1.019 -18.717 1.00 0.00 C ATOM 428 O ILE A 29 23.221 0.059 -19.292 1.00 0.00 O ATOM 429 CB ILE A 29 23.907 -3.145 -19.800 1.00 0.00 C ATOM 430 CG1 ILE A 29 24.784 -2.547 -20.912 1.00 0.00 C ATOM 431 CG2 ILE A 29 23.470 -4.553 -20.179 1.00 0.00 C ATOM 432 CD1 ILE A 29 25.750 -1.482 -20.437 1.00 0.00 C ATOM 0 H ILE A 29 22.502 -1.330 -21.360 1.00 0.00 H new ATOM 0 HA ILE A 29 21.993 -2.859 -18.884 1.00 0.00 H new ATOM 0 HB ILE A 29 24.509 -3.184 -18.892 1.00 0.00 H new ATOM 0 HG12 ILE A 29 25.350 -3.350 -21.384 1.00 0.00 H new ATOM 0 HG13 ILE A 29 24.138 -2.119 -21.678 1.00 0.00 H new ATOM 0 HG21 ILE A 29 24.349 -5.162 -20.391 1.00 0.00 H new ATOM 0 HG22 ILE A 29 22.912 -4.995 -19.354 1.00 0.00 H new ATOM 0 HG23 ILE A 29 22.835 -4.511 -21.064 1.00 0.00 H new ATOM 0 HD11 ILE A 29 26.330 -1.113 -21.283 1.00 0.00 H new ATOM 0 HD12 ILE A 29 25.193 -0.658 -19.992 1.00 0.00 H new ATOM 0 HD13 ILE A 29 26.424 -1.908 -19.693 1.00 0.00 H new ATOM 444 N VAL A 30 23.231 -1.160 -17.413 1.00 0.00 N ATOM 445 CA VAL A 30 23.581 -0.028 -16.574 1.00 0.00 C ATOM 446 C VAL A 30 24.916 -0.270 -15.889 1.00 0.00 C ATOM 447 O VAL A 30 25.153 -1.342 -15.333 1.00 0.00 O ATOM 448 CB VAL A 30 22.509 0.245 -15.498 1.00 0.00 C ATOM 449 CG1 VAL A 30 22.748 1.599 -14.847 1.00 0.00 C ATOM 450 CG2 VAL A 30 21.107 0.165 -16.085 1.00 0.00 C ATOM 0 H VAL A 30 23.122 -2.043 -16.914 1.00 0.00 H new ATOM 0 HA VAL A 30 23.647 0.843 -17.226 1.00 0.00 H new ATOM 0 HB VAL A 30 22.590 -0.527 -14.733 1.00 0.00 H new ATOM 0 HG11 VAL A 30 21.985 1.779 -14.090 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.732 1.609 -14.379 1.00 0.00 H new ATOM 0 HG13 VAL A 30 22.699 2.381 -15.605 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.373 0.362 -15.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 21.001 0.907 -16.877 1.00 0.00 H new ATOM 0 HG23 VAL A 30 20.941 -0.831 -16.496 1.00 0.00 H new ATOM 460 N ARG A 31 25.789 0.721 -15.943 1.00 0.00 N ATOM 461 CA ARG A 31 27.082 0.630 -15.292 1.00 0.00 C ATOM 462 C ARG A 31 27.265 1.796 -14.335 1.00 0.00 C ATOM 463 O ARG A 31 26.629 2.841 -14.487 1.00 0.00 O ATOM 464 CB ARG A 31 28.209 0.600 -16.328 1.00 0.00 C ATOM 465 CG ARG A 31 28.132 -0.599 -17.259 1.00 0.00 C ATOM 466 CD ARG A 31 29.311 -0.649 -18.213 1.00 0.00 C ATOM 467 NE ARG A 31 29.208 -1.773 -19.143 1.00 0.00 N ATOM 468 CZ ARG A 31 30.250 -2.345 -19.746 1.00 0.00 C ATOM 469 NH1 ARG A 31 31.482 -1.930 -19.491 1.00 0.00 N ATOM 470 NH2 ARG A 31 30.055 -3.343 -20.594 1.00 0.00 N ATOM 0 H ARG A 31 25.624 1.600 -16.433 1.00 0.00 H new ATOM 0 HA ARG A 31 27.122 -0.299 -14.724 1.00 0.00 H new ATOM 0 HB2 ARG A 31 28.175 1.515 -16.920 1.00 0.00 H new ATOM 0 HB3 ARG A 31 29.169 0.590 -15.812 1.00 0.00 H new ATOM 0 HG2 ARG A 31 28.102 -1.515 -16.670 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.204 -0.557 -17.830 1.00 0.00 H new ATOM 0 HD2 ARG A 31 29.365 0.284 -18.774 1.00 0.00 H new ATOM 0 HD3 ARG A 31 30.237 -0.732 -17.643 1.00 0.00 H new ATOM 0 HE ARG A 31 28.279 -2.143 -19.343 1.00 0.00 H new ATOM 0 HH11 ARG A 31 31.637 -1.169 -18.830 1.00 0.00 H new ATOM 0 HH12 ARG A 31 32.275 -2.372 -19.956 1.00 0.00 H new ATOM 0 HH21 ARG A 31 29.109 -3.673 -20.785 1.00 0.00 H new ATOM 0 HH22 ARG A 31 30.851 -3.782 -21.057 1.00 0.00 H new ATOM 484 N PHE A 32 28.129 1.614 -13.350 1.00 0.00 N ATOM 485 CA PHE A 32 28.348 2.629 -12.334 1.00 0.00 C ATOM 486 C PHE A 32 29.319 3.682 -12.852 1.00 0.00 C ATOM 487 O PHE A 32 29.207 4.865 -12.530 1.00 0.00 O ATOM 488 CB PHE A 32 28.888 1.984 -11.057 1.00 0.00 C ATOM 489 CG PHE A 32 28.833 2.880 -9.854 1.00 0.00 C ATOM 490 CD1 PHE A 32 27.637 3.084 -9.185 1.00 0.00 C ATOM 491 CD2 PHE A 32 29.973 3.515 -9.391 1.00 0.00 C ATOM 492 CE1 PHE A 32 27.579 3.904 -8.076 1.00 0.00 C ATOM 493 CE2 PHE A 32 29.921 4.336 -8.282 1.00 0.00 C ATOM 494 CZ PHE A 32 28.723 4.531 -7.624 1.00 0.00 C ATOM 0 H PHE A 32 28.691 0.771 -13.233 1.00 0.00 H new ATOM 0 HA PHE A 32 27.399 3.114 -12.103 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.318 1.078 -10.850 1.00 0.00 H new ATOM 0 HB3 PHE A 32 29.921 1.679 -11.224 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.740 2.596 -9.535 1.00 0.00 H new ATOM 0 HD2 PHE A 32 30.913 3.367 -9.903 1.00 0.00 H new ATOM 0 HE1 PHE A 32 26.641 4.055 -7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 32 30.817 4.825 -7.930 1.00 0.00 H new ATOM 0 HZ PHE A 32 28.681 5.173 -6.757 1.00 0.00 H new ATOM 504 N SER A 33 30.269 3.240 -13.660 1.00 0.00 N ATOM 505 CA SER A 33 31.233 4.137 -14.266 1.00 0.00 C ATOM 506 C SER A 33 30.947 4.293 -15.755 1.00 0.00 C ATOM 507 O SER A 33 30.878 3.307 -16.494 1.00 0.00 O ATOM 508 CB SER A 33 32.656 3.617 -14.053 1.00 0.00 C ATOM 509 OG SER A 33 33.609 4.468 -14.668 1.00 0.00 O ATOM 0 H SER A 33 30.391 2.259 -13.911 1.00 0.00 H new ATOM 0 HA SER A 33 31.145 5.113 -13.788 1.00 0.00 H new ATOM 0 HB2 SER A 33 32.864 3.545 -12.985 1.00 0.00 H new ATOM 0 HB3 SER A 33 32.744 2.611 -14.464 1.00 0.00 H new ATOM 0 HG SER A 33 34.510 4.114 -14.516 1.00 0.00 H new ATOM 515 N GLU A 34 30.765 5.536 -16.185 1.00 0.00 N ATOM 516 CA GLU A 34 30.540 5.844 -17.593 1.00 0.00 C ATOM 517 C GLU A 34 31.820 5.609 -18.400 1.00 0.00 C ATOM 518 O GLU A 34 31.789 5.485 -19.622 1.00 0.00 O ATOM 519 CB GLU A 34 30.069 7.296 -17.736 1.00 0.00 C ATOM 520 CG GLU A 34 31.133 8.315 -17.372 1.00 0.00 C ATOM 521 CD GLU A 34 30.577 9.701 -17.123 1.00 0.00 C ATOM 522 OE1 GLU A 34 30.048 10.317 -18.071 1.00 0.00 O ATOM 523 OE2 GLU A 34 30.686 10.185 -15.976 1.00 0.00 O ATOM 0 H GLU A 34 30.769 6.353 -15.574 1.00 0.00 H new ATOM 0 HA GLU A 34 29.766 5.184 -17.984 1.00 0.00 H new ATOM 0 HB2 GLU A 34 29.750 7.467 -18.764 1.00 0.00 H new ATOM 0 HB3 GLU A 34 29.196 7.451 -17.102 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.659 7.977 -16.479 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.868 8.365 -18.176 1.00 0.00 H new ATOM 530 N ASP A 35 32.938 5.521 -17.686 1.00 0.00 N ATOM 531 CA ASP A 35 34.254 5.318 -18.292 1.00 0.00 C ATOM 532 C ASP A 35 34.441 3.857 -18.710 1.00 0.00 C ATOM 533 O ASP A 35 35.402 3.503 -19.390 1.00 0.00 O ATOM 534 CB ASP A 35 35.335 5.741 -17.285 1.00 0.00 C ATOM 535 CG ASP A 35 36.746 5.359 -17.694 1.00 0.00 C ATOM 536 OD1 ASP A 35 37.348 6.064 -18.533 1.00 0.00 O ATOM 537 OD2 ASP A 35 37.277 4.367 -17.145 1.00 0.00 O ATOM 0 H ASP A 35 32.959 5.588 -16.668 1.00 0.00 H new ATOM 0 HA ASP A 35 34.338 5.928 -19.191 1.00 0.00 H new ATOM 0 HB2 ASP A 35 35.287 6.821 -17.150 1.00 0.00 H new ATOM 0 HB3 ASP A 35 35.113 5.288 -16.319 1.00 0.00 H new ATOM 542 N SER A 36 33.491 3.015 -18.331 1.00 0.00 N ATOM 543 CA SER A 36 33.603 1.587 -18.586 1.00 0.00 C ATOM 544 C SER A 36 33.056 1.212 -19.959 1.00 0.00 C ATOM 545 O SER A 36 33.211 0.077 -20.406 1.00 0.00 O ATOM 546 CB SER A 36 32.878 0.805 -17.493 1.00 0.00 C ATOM 547 OG SER A 36 33.475 1.044 -16.233 1.00 0.00 O ATOM 0 H SER A 36 32.637 3.294 -17.848 1.00 0.00 H new ATOM 0 HA SER A 36 34.662 1.327 -18.575 1.00 0.00 H new ATOM 0 HB2 SER A 36 31.828 1.096 -17.465 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.908 -0.261 -17.720 1.00 0.00 H new ATOM 0 HG SER A 36 32.998 0.537 -15.543 1.00 0.00 H new ATOM 553 N PHE A 37 32.419 2.160 -20.625 1.00 0.00 N ATOM 554 CA PHE A 37 31.866 1.906 -21.945 1.00 0.00 C ATOM 555 C PHE A 37 32.963 2.004 -22.997 1.00 0.00 C ATOM 556 O PHE A 37 33.719 2.976 -23.032 1.00 0.00 O ATOM 557 CB PHE A 37 30.734 2.887 -22.251 1.00 0.00 C ATOM 558 CG PHE A 37 29.538 2.722 -21.353 1.00 0.00 C ATOM 559 CD1 PHE A 37 28.513 1.857 -21.697 1.00 0.00 C ATOM 560 CD2 PHE A 37 29.437 3.434 -20.168 1.00 0.00 C ATOM 561 CE1 PHE A 37 27.411 1.704 -20.878 1.00 0.00 C ATOM 562 CE2 PHE A 37 28.337 3.286 -19.345 1.00 0.00 C ATOM 563 CZ PHE A 37 27.323 2.420 -19.701 1.00 0.00 C ATOM 0 H PHE A 37 32.272 3.107 -20.276 1.00 0.00 H new ATOM 0 HA PHE A 37 31.453 0.897 -21.965 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.111 3.905 -22.157 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.421 2.757 -23.287 1.00 0.00 H new ATOM 0 HD1 PHE A 37 28.576 1.295 -22.617 1.00 0.00 H new ATOM 0 HD2 PHE A 37 30.228 4.113 -19.885 1.00 0.00 H new ATOM 0 HE1 PHE A 37 26.619 1.025 -21.158 1.00 0.00 H new ATOM 0 HE2 PHE A 37 28.271 3.847 -18.425 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.462 2.303 -19.060 1.00 0.00 H new ATOM 573 N GLY A 38 33.063 0.983 -23.834 1.00 0.00 N ATOM 574 CA GLY A 38 34.109 0.947 -24.831 1.00 0.00 C ATOM 575 C GLY A 38 33.674 1.539 -26.153 1.00 0.00 C ATOM 576 O GLY A 38 32.558 2.039 -26.280 1.00 0.00 O ATOM 0 H GLY A 38 32.437 0.178 -23.840 1.00 0.00 H new ATOM 0 HA2 GLY A 38 34.977 1.493 -24.461 1.00 0.00 H new ATOM 0 HA3 GLY A 38 34.423 -0.085 -24.985 1.00 0.00 H new ATOM 580 N MET A 39 34.550 1.452 -27.147 1.00 0.00 N ATOM 581 CA MET A 39 34.281 2.012 -28.470 1.00 0.00 C ATOM 582 C MET A 39 33.193 1.208 -29.181 1.00 0.00 C ATOM 583 O MET A 39 32.635 1.639 -30.192 1.00 0.00 O ATOM 584 CB MET A 39 35.567 2.022 -29.308 1.00 0.00 C ATOM 585 CG MET A 39 35.413 2.687 -30.668 1.00 0.00 C ATOM 586 SD MET A 39 36.910 2.586 -31.669 1.00 0.00 S ATOM 587 CE MET A 39 36.361 3.381 -33.178 1.00 0.00 C ATOM 0 H MET A 39 35.459 0.996 -27.063 1.00 0.00 H new ATOM 0 HA MET A 39 33.929 3.037 -28.350 1.00 0.00 H new ATOM 0 HB2 MET A 39 36.349 2.537 -28.749 1.00 0.00 H new ATOM 0 HB3 MET A 39 35.902 0.995 -29.453 1.00 0.00 H new ATOM 0 HG2 MET A 39 34.589 2.217 -31.206 1.00 0.00 H new ATOM 0 HG3 MET A 39 35.146 3.734 -30.527 1.00 0.00 H new ATOM 0 HE1 MET A 39 37.178 3.396 -33.899 1.00 0.00 H new ATOM 0 HE2 MET A 39 35.519 2.828 -33.595 1.00 0.00 H new ATOM 0 HE3 MET A 39 36.051 4.403 -32.959 1.00 0.00 H new ATOM 597 N ASP A 40 32.893 0.037 -28.635 1.00 0.00 N ATOM 598 CA ASP A 40 31.863 -0.836 -29.187 1.00 0.00 C ATOM 599 C ASP A 40 30.480 -0.366 -28.738 1.00 0.00 C ATOM 600 O ASP A 40 29.453 -0.860 -29.201 1.00 0.00 O ATOM 601 CB ASP A 40 32.116 -2.281 -28.743 1.00 0.00 C ATOM 602 CG ASP A 40 31.313 -3.298 -29.534 1.00 0.00 C ATOM 603 OD1 ASP A 40 31.229 -3.164 -30.774 1.00 0.00 O ATOM 604 OD2 ASP A 40 30.812 -4.267 -28.928 1.00 0.00 O ATOM 0 H ASP A 40 33.352 -0.333 -27.803 1.00 0.00 H new ATOM 0 HA ASP A 40 31.901 -0.794 -30.276 1.00 0.00 H new ATOM 0 HB2 ASP A 40 33.178 -2.506 -28.847 1.00 0.00 H new ATOM 0 HB3 ASP A 40 31.871 -2.378 -27.685 1.00 0.00 H new ATOM 609 N VAL A 41 30.468 0.602 -27.830 1.00 0.00 N ATOM 610 CA VAL A 41 29.232 1.200 -27.355 1.00 0.00 C ATOM 611 C VAL A 41 29.157 2.649 -27.824 1.00 0.00 C ATOM 612 O VAL A 41 30.163 3.359 -27.819 1.00 0.00 O ATOM 613 CB VAL A 41 29.133 1.151 -25.812 1.00 0.00 C ATOM 614 CG1 VAL A 41 27.804 1.716 -25.332 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.323 -0.271 -25.306 1.00 0.00 C ATOM 0 H VAL A 41 31.310 0.991 -27.406 1.00 0.00 H new ATOM 0 HA VAL A 41 28.400 0.628 -27.765 1.00 0.00 H new ATOM 0 HB VAL A 41 29.931 1.771 -25.404 1.00 0.00 H new ATOM 0 HG11 VAL A 41 27.761 1.670 -24.244 1.00 0.00 H new ATOM 0 HG12 VAL A 41 27.712 2.753 -25.655 1.00 0.00 H new ATOM 0 HG13 VAL A 41 26.987 1.131 -25.753 1.00 0.00 H new ATOM 0 HG21 VAL A 41 29.250 -0.283 -24.219 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.551 -0.914 -25.729 1.00 0.00 H new ATOM 0 HG23 VAL A 41 30.305 -0.636 -25.608 1.00 0.00 H new ATOM 625 N ALA A 42 27.977 3.078 -28.247 1.00 0.00 N ATOM 626 CA ALA A 42 27.789 4.437 -28.738 1.00 0.00 C ATOM 627 C ALA A 42 27.828 5.442 -27.591 1.00 0.00 C ATOM 628 O ALA A 42 27.240 5.212 -26.533 1.00 0.00 O ATOM 629 CB ALA A 42 26.476 4.544 -29.495 1.00 0.00 C ATOM 0 H ALA A 42 27.134 2.504 -28.260 1.00 0.00 H new ATOM 0 HA ALA A 42 28.607 4.672 -29.419 1.00 0.00 H new ATOM 0 HB1 ALA A 42 26.347 5.564 -29.857 1.00 0.00 H new ATOM 0 HB2 ALA A 42 26.487 3.857 -30.341 1.00 0.00 H new ATOM 0 HB3 ALA A 42 25.651 4.288 -28.830 1.00 0.00 H new ATOM 635 N ASP A 43 28.514 6.559 -27.809 1.00 0.00 N ATOM 636 CA ASP A 43 28.666 7.585 -26.778 1.00 0.00 C ATOM 637 C ASP A 43 27.319 8.177 -26.382 1.00 0.00 C ATOM 638 O ASP A 43 27.025 8.334 -25.198 1.00 0.00 O ATOM 639 CB ASP A 43 29.602 8.697 -27.256 1.00 0.00 C ATOM 640 CG ASP A 43 29.717 9.828 -26.252 1.00 0.00 C ATOM 641 OD1 ASP A 43 30.415 9.658 -25.232 1.00 0.00 O ATOM 642 OD2 ASP A 43 29.121 10.900 -26.483 1.00 0.00 O ATOM 0 H ASP A 43 28.975 6.779 -28.692 1.00 0.00 H new ATOM 0 HA ASP A 43 29.102 7.106 -25.901 1.00 0.00 H new ATOM 0 HB2 ASP A 43 30.591 8.280 -27.444 1.00 0.00 H new ATOM 0 HB3 ASP A 43 29.238 9.092 -28.204 1.00 0.00 H new ATOM 647 N ASP A 44 26.492 8.482 -27.377 1.00 0.00 N ATOM 648 CA ASP A 44 25.174 9.070 -27.131 1.00 0.00 C ATOM 649 C ASP A 44 24.219 8.067 -26.501 1.00 0.00 C ATOM 650 O ASP A 44 23.114 8.425 -26.092 1.00 0.00 O ATOM 651 CB ASP A 44 24.562 9.611 -28.424 1.00 0.00 C ATOM 652 CG ASP A 44 25.064 10.996 -28.770 1.00 0.00 C ATOM 653 OD1 ASP A 44 26.118 11.105 -29.431 1.00 0.00 O ATOM 654 OD2 ASP A 44 24.404 11.984 -28.380 1.00 0.00 O ATOM 0 H ASP A 44 26.709 8.333 -28.362 1.00 0.00 H new ATOM 0 HA ASP A 44 25.323 9.894 -26.433 1.00 0.00 H new ATOM 0 HB2 ASP A 44 24.792 8.930 -29.243 1.00 0.00 H new ATOM 0 HB3 ASP A 44 23.477 9.636 -28.325 1.00 0.00 H new ATOM 659 N SER A 45 24.636 6.812 -26.426 1.00 0.00 N ATOM 660 CA SER A 45 23.821 5.791 -25.797 1.00 0.00 C ATOM 661 C SER A 45 23.947 5.902 -24.282 1.00 0.00 C ATOM 662 O SER A 45 23.000 5.613 -23.550 1.00 0.00 O ATOM 663 CB SER A 45 24.237 4.396 -26.275 1.00 0.00 C ATOM 664 OG SER A 45 23.284 3.419 -25.894 1.00 0.00 O ATOM 0 H SER A 45 25.529 6.480 -26.791 1.00 0.00 H new ATOM 0 HA SER A 45 22.779 5.943 -26.079 1.00 0.00 H new ATOM 0 HB2 SER A 45 24.346 4.398 -27.360 1.00 0.00 H new ATOM 0 HB3 SER A 45 25.211 4.141 -25.857 1.00 0.00 H new ATOM 0 HG SER A 45 22.703 3.214 -26.656 1.00 0.00 H new ATOM 670 N ILE A 46 25.113 6.357 -23.823 1.00 0.00 N ATOM 671 CA ILE A 46 25.364 6.519 -22.397 1.00 0.00 C ATOM 672 C ILE A 46 24.465 7.611 -21.828 1.00 0.00 C ATOM 673 O ILE A 46 24.647 8.796 -22.114 1.00 0.00 O ATOM 674 CB ILE A 46 26.838 6.874 -22.100 1.00 0.00 C ATOM 675 CG1 ILE A 46 27.783 5.871 -22.768 1.00 0.00 C ATOM 676 CG2 ILE A 46 27.074 6.907 -20.597 1.00 0.00 C ATOM 677 CD1 ILE A 46 29.253 6.178 -22.549 1.00 0.00 C ATOM 0 H ILE A 46 25.897 6.619 -24.421 1.00 0.00 H new ATOM 0 HA ILE A 46 25.144 5.562 -21.923 1.00 0.00 H new ATOM 0 HB ILE A 46 27.046 7.862 -22.511 1.00 0.00 H new ATOM 0 HG12 ILE A 46 27.569 4.873 -22.386 1.00 0.00 H new ATOM 0 HG13 ILE A 46 27.581 5.852 -23.839 1.00 0.00 H new ATOM 0 HG21 ILE A 46 28.116 7.158 -20.398 1.00 0.00 H new ATOM 0 HG22 ILE A 46 26.427 7.658 -20.143 1.00 0.00 H new ATOM 0 HG23 ILE A 46 26.849 5.929 -20.172 1.00 0.00 H new ATOM 0 HD11 ILE A 46 29.861 5.425 -23.051 1.00 0.00 H new ATOM 0 HD12 ILE A 46 29.484 7.162 -22.957 1.00 0.00 H new ATOM 0 HD13 ILE A 46 29.472 6.168 -21.481 1.00 0.00 H new ATOM 689 N THR A 47 23.482 7.200 -21.049 1.00 0.00 N ATOM 690 CA THR A 47 22.522 8.118 -20.472 1.00 0.00 C ATOM 691 C THR A 47 22.293 7.790 -19.000 1.00 0.00 C ATOM 692 O THR A 47 21.972 6.652 -18.661 1.00 0.00 O ATOM 693 CB THR A 47 21.181 8.033 -21.228 1.00 0.00 C ATOM 694 OG1 THR A 47 21.417 8.122 -22.641 1.00 0.00 O ATOM 695 CG2 THR A 47 20.230 9.140 -20.790 1.00 0.00 C ATOM 0 H THR A 47 23.328 6.223 -20.800 1.00 0.00 H new ATOM 0 HA THR A 47 22.921 9.129 -20.557 1.00 0.00 H new ATOM 0 HB THR A 47 20.716 7.076 -20.994 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.862 7.305 -22.950 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.293 9.054 -21.341 1.00 0.00 H new ATOM 0 HG22 THR A 47 20.033 9.049 -19.722 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.683 10.110 -20.994 1.00 0.00 H new ATOM 703 N PRO A 48 22.486 8.770 -18.102 1.00 0.00 N ATOM 704 CA PRO A 48 22.186 8.601 -16.678 1.00 0.00 C ATOM 705 C PRO A 48 20.754 8.116 -16.471 1.00 0.00 C ATOM 706 O PRO A 48 19.818 8.661 -17.060 1.00 0.00 O ATOM 707 CB PRO A 48 22.369 10.007 -16.103 1.00 0.00 C ATOM 708 CG PRO A 48 23.314 10.679 -17.039 1.00 0.00 C ATOM 709 CD PRO A 48 23.022 10.111 -18.401 1.00 0.00 C ATOM 0 HA PRO A 48 22.823 7.857 -16.200 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.419 10.539 -16.049 1.00 0.00 H new ATOM 0 HB3 PRO A 48 22.772 9.971 -15.091 1.00 0.00 H new ATOM 0 HG2 PRO A 48 23.172 11.760 -17.028 1.00 0.00 H new ATOM 0 HG3 PRO A 48 24.348 10.491 -16.751 1.00 0.00 H new ATOM 0 HD2 PRO A 48 22.300 10.721 -18.945 1.00 0.00 H new ATOM 0 HD3 PRO A 48 23.921 10.057 -19.015 1.00 0.00 H new ATOM 717 N THR A 49 20.586 7.095 -15.637 1.00 0.00 N ATOM 718 CA THR A 49 19.283 6.466 -15.445 1.00 0.00 C ATOM 719 C THR A 49 18.267 7.434 -14.835 1.00 0.00 C ATOM 720 O THR A 49 17.060 7.199 -14.900 1.00 0.00 O ATOM 721 CB THR A 49 19.390 5.193 -14.576 1.00 0.00 C ATOM 722 OG1 THR A 49 18.110 4.561 -14.457 1.00 0.00 O ATOM 723 CG2 THR A 49 19.930 5.513 -13.194 1.00 0.00 C ATOM 0 H THR A 49 21.337 6.685 -15.082 1.00 0.00 H new ATOM 0 HA THR A 49 18.927 6.180 -16.435 1.00 0.00 H new ATOM 0 HB THR A 49 20.085 4.514 -15.070 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.404 5.236 -14.532 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.993 4.597 -12.607 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.922 5.955 -13.284 1.00 0.00 H new ATOM 0 HG23 THR A 49 19.263 6.217 -12.697 1.00 0.00 H new ATOM 731 N SER A 50 18.754 8.521 -14.253 1.00 0.00 N ATOM 732 CA SER A 50 17.883 9.559 -13.734 1.00 0.00 C ATOM 733 C SER A 50 17.236 10.328 -14.883 1.00 0.00 C ATOM 734 O SER A 50 16.019 10.473 -14.940 1.00 0.00 O ATOM 735 CB SER A 50 18.687 10.499 -12.838 1.00 0.00 C ATOM 736 OG SER A 50 19.915 10.858 -13.453 1.00 0.00 O ATOM 0 H SER A 50 19.750 8.704 -14.130 1.00 0.00 H new ATOM 0 HA SER A 50 17.089 9.103 -13.142 1.00 0.00 H new ATOM 0 HB2 SER A 50 18.104 11.396 -12.630 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.883 10.016 -11.880 1.00 0.00 H new ATOM 0 HG SER A 50 20.412 11.461 -12.862 1.00 0.00 H new ATOM 742 N GLU A 51 18.065 10.781 -15.817 1.00 0.00 N ATOM 743 CA GLU A 51 17.596 11.549 -16.966 1.00 0.00 C ATOM 744 C GLU A 51 16.860 10.645 -17.954 1.00 0.00 C ATOM 745 O GLU A 51 16.030 11.104 -18.735 1.00 0.00 O ATOM 746 CB GLU A 51 18.786 12.227 -17.653 1.00 0.00 C ATOM 747 CG GLU A 51 18.395 13.213 -18.742 1.00 0.00 C ATOM 748 CD GLU A 51 19.599 13.850 -19.402 1.00 0.00 C ATOM 749 OE1 GLU A 51 20.232 14.725 -18.775 1.00 0.00 O ATOM 750 OE2 GLU A 51 19.927 13.472 -20.548 1.00 0.00 O ATOM 0 H GLU A 51 19.073 10.628 -15.801 1.00 0.00 H new ATOM 0 HA GLU A 51 16.900 12.312 -16.618 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.377 12.749 -16.900 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.427 11.459 -18.086 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.799 12.699 -19.497 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.764 13.992 -18.314 1.00 0.00 H new ATOM 757 N PHE A 52 17.164 9.353 -17.890 1.00 0.00 N ATOM 758 CA PHE A 52 16.588 8.362 -18.796 1.00 0.00 C ATOM 759 C PHE A 52 15.059 8.371 -18.745 1.00 0.00 C ATOM 760 O PHE A 52 14.395 8.217 -19.771 1.00 0.00 O ATOM 761 CB PHE A 52 17.117 6.970 -18.433 1.00 0.00 C ATOM 762 CG PHE A 52 16.702 5.883 -19.385 1.00 0.00 C ATOM 763 CD1 PHE A 52 17.419 5.656 -20.549 1.00 0.00 C ATOM 764 CD2 PHE A 52 15.602 5.083 -19.113 1.00 0.00 C ATOM 765 CE1 PHE A 52 17.048 4.654 -21.423 1.00 0.00 C ATOM 766 CE2 PHE A 52 15.225 4.080 -19.985 1.00 0.00 C ATOM 767 CZ PHE A 52 15.949 3.865 -21.142 1.00 0.00 C ATOM 0 H PHE A 52 17.816 8.962 -17.210 1.00 0.00 H new ATOM 0 HA PHE A 52 16.885 8.618 -19.813 1.00 0.00 H new ATOM 0 HB2 PHE A 52 18.206 7.007 -18.394 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.771 6.712 -17.432 1.00 0.00 H new ATOM 0 HD1 PHE A 52 18.278 6.270 -20.775 1.00 0.00 H new ATOM 0 HD2 PHE A 52 15.034 5.246 -18.209 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.616 4.487 -22.326 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.366 3.465 -19.763 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.656 3.082 -21.826 1.00 0.00 H new ATOM 777 N VAL A 53 14.505 8.570 -17.555 1.00 0.00 N ATOM 778 CA VAL A 53 13.059 8.509 -17.376 1.00 0.00 C ATOM 779 C VAL A 53 12.384 9.813 -17.798 1.00 0.00 C ATOM 780 O VAL A 53 11.179 9.844 -18.053 1.00 0.00 O ATOM 781 CB VAL A 53 12.674 8.181 -15.917 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.303 6.869 -15.481 1.00 0.00 C ATOM 783 CG2 VAL A 53 13.078 9.304 -14.974 1.00 0.00 C ATOM 0 H VAL A 53 15.031 8.774 -16.705 1.00 0.00 H new ATOM 0 HA VAL A 53 12.705 7.704 -18.020 1.00 0.00 H new ATOM 0 HB VAL A 53 11.590 8.080 -15.873 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.020 6.655 -14.450 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.953 6.065 -16.128 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.388 6.945 -15.551 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.793 9.043 -13.955 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.157 9.450 -15.023 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.573 10.225 -15.267 1.00 0.00 H new ATOM 793 N TRP A 54 13.159 10.885 -17.881 1.00 0.00 N ATOM 794 CA TRP A 54 12.618 12.178 -18.266 1.00 0.00 C ATOM 795 C TRP A 54 12.440 12.248 -19.772 1.00 0.00 C ATOM 796 O TRP A 54 13.395 12.093 -20.530 1.00 0.00 O ATOM 797 CB TRP A 54 13.519 13.313 -17.785 1.00 0.00 C ATOM 798 CG TRP A 54 13.534 13.458 -16.295 1.00 0.00 C ATOM 799 CD1 TRP A 54 14.473 12.974 -15.435 1.00 0.00 C ATOM 800 CD2 TRP A 54 12.555 14.125 -15.488 1.00 0.00 C ATOM 801 NE1 TRP A 54 14.146 13.303 -14.144 1.00 0.00 N ATOM 802 CE2 TRP A 54 12.973 14.011 -14.150 1.00 0.00 C ATOM 803 CE3 TRP A 54 11.370 14.813 -15.769 1.00 0.00 C ATOM 804 CZ2 TRP A 54 12.246 14.556 -13.095 1.00 0.00 C ATOM 805 CZ3 TRP A 54 10.650 15.352 -14.721 1.00 0.00 C ATOM 806 CH2 TRP A 54 11.091 15.223 -13.399 1.00 0.00 C ATOM 0 H TRP A 54 14.160 10.884 -17.687 1.00 0.00 H new ATOM 0 HA TRP A 54 11.644 12.293 -17.791 1.00 0.00 H new ATOM 0 HB2 TRP A 54 14.535 13.137 -18.137 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.185 14.249 -18.232 1.00 0.00 H new ATOM 0 HD1 TRP A 54 15.348 12.413 -15.727 1.00 0.00 H new ATOM 0 HE1 TRP A 54 14.688 13.060 -13.315 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.025 14.921 -16.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.582 14.456 -12.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.731 15.882 -14.925 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.507 15.659 -12.602 1.00 0.00 H new ATOM 817 N SER A 55 11.211 12.461 -20.198 1.00 0.00 N ATOM 818 CA SER A 55 10.896 12.520 -21.611 1.00 0.00 C ATOM 819 C SER A 55 10.532 13.948 -22.003 1.00 0.00 C ATOM 820 O SER A 55 9.445 14.434 -21.678 1.00 0.00 O ATOM 821 CB SER A 55 9.746 11.561 -21.905 1.00 0.00 C ATOM 822 OG SER A 55 9.925 10.347 -21.192 1.00 0.00 O ATOM 0 H SER A 55 10.410 12.597 -19.581 1.00 0.00 H new ATOM 0 HA SER A 55 11.763 12.221 -22.199 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.799 12.020 -21.623 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.696 11.359 -22.975 1.00 0.00 H new ATOM 0 HG SER A 55 9.181 9.740 -21.387 1.00 0.00 H new ATOM 828 N SER A 56 11.456 14.626 -22.662 1.00 0.00 N ATOM 829 CA SER A 56 11.259 16.012 -23.050 1.00 0.00 C ATOM 830 C SER A 56 10.322 16.109 -24.249 1.00 0.00 C ATOM 831 O SER A 56 10.644 15.647 -25.343 1.00 0.00 O ATOM 832 CB SER A 56 12.608 16.646 -23.379 1.00 0.00 C ATOM 833 OG SER A 56 13.541 16.383 -22.345 1.00 0.00 O ATOM 0 H SER A 56 12.356 14.236 -22.941 1.00 0.00 H new ATOM 0 HA SER A 56 10.801 16.549 -22.219 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.982 16.252 -24.324 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.490 17.722 -23.507 1.00 0.00 H new ATOM 0 HG SER A 56 14.402 16.794 -22.569 1.00 0.00 H new ATOM 839 N VAL A 57 9.164 16.715 -24.038 1.00 0.00 N ATOM 840 CA VAL A 57 8.177 16.857 -25.097 1.00 0.00 C ATOM 841 C VAL A 57 8.101 18.303 -25.562 1.00 0.00 C ATOM 842 O VAL A 57 7.299 18.652 -26.430 1.00 0.00 O ATOM 843 CB VAL A 57 6.783 16.382 -24.638 1.00 0.00 C ATOM 844 CG1 VAL A 57 6.823 14.907 -24.274 1.00 0.00 C ATOM 845 CG2 VAL A 57 6.287 17.208 -23.460 1.00 0.00 C ATOM 0 H VAL A 57 8.885 17.116 -23.143 1.00 0.00 H new ATOM 0 HA VAL A 57 8.495 16.227 -25.928 1.00 0.00 H new ATOM 0 HB VAL A 57 6.086 16.520 -25.464 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.833 14.585 -23.952 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.129 14.326 -25.144 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.536 14.751 -23.465 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.302 16.853 -23.156 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.982 17.108 -22.627 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.220 18.256 -23.753 1.00 0.00 H new ATOM 855 N ARG A 58 8.949 19.135 -24.976 1.00 0.00 N ATOM 856 CA ARG A 58 9.022 20.546 -25.318 1.00 0.00 C ATOM 857 C ARG A 58 10.370 21.093 -24.843 1.00 0.00 C ATOM 858 O ARG A 58 11.211 20.320 -24.380 1.00 0.00 O ATOM 859 CB ARG A 58 7.852 21.304 -24.671 1.00 0.00 C ATOM 860 CG ARG A 58 7.399 22.537 -25.445 1.00 0.00 C ATOM 861 CD ARG A 58 6.940 22.180 -26.850 1.00 0.00 C ATOM 862 NE ARG A 58 5.666 21.462 -26.849 1.00 0.00 N ATOM 863 CZ ARG A 58 5.107 20.933 -27.936 1.00 0.00 C ATOM 864 NH1 ARG A 58 5.735 20.976 -29.104 1.00 0.00 N ATOM 865 NH2 ARG A 58 3.919 20.352 -27.847 1.00 0.00 N ATOM 0 H ARG A 58 9.606 18.850 -24.250 1.00 0.00 H new ATOM 0 HA ARG A 58 8.945 20.680 -26.397 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.007 20.624 -24.567 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.143 21.607 -23.665 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.585 23.025 -24.909 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.219 23.254 -25.501 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.841 23.091 -27.441 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.700 21.567 -27.334 1.00 0.00 H new ATOM 0 HE ARG A 58 5.175 21.360 -25.961 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.652 21.416 -29.174 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.300 20.569 -29.932 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.437 20.312 -26.949 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.487 19.945 -28.677 1.00 0.00 H new ATOM 879 N ASP A 59 10.570 22.403 -24.971 1.00 0.00 N ATOM 880 CA ASP A 59 11.814 23.065 -24.570 1.00 0.00 C ATOM 881 C ASP A 59 12.229 22.663 -23.160 1.00 0.00 C ATOM 882 O ASP A 59 13.287 22.067 -22.958 1.00 0.00 O ATOM 883 CB ASP A 59 11.643 24.587 -24.619 1.00 0.00 C ATOM 884 CG ASP A 59 11.047 25.076 -25.921 1.00 0.00 C ATOM 885 OD1 ASP A 59 9.835 24.859 -26.139 1.00 0.00 O ATOM 886 OD2 ASP A 59 11.777 25.687 -26.725 1.00 0.00 O ATOM 0 H ASP A 59 9.873 23.039 -25.357 1.00 0.00 H new ATOM 0 HA ASP A 59 12.590 22.752 -25.269 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.005 24.902 -23.793 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.613 25.061 -24.470 1.00 0.00 H new ATOM 891 N ASP A 60 11.392 22.999 -22.187 1.00 0.00 N ATOM 892 CA ASP A 60 11.673 22.685 -20.792 1.00 0.00 C ATOM 893 C ASP A 60 10.661 21.695 -20.243 1.00 0.00 C ATOM 894 O ASP A 60 10.890 21.074 -19.207 1.00 0.00 O ATOM 895 CB ASP A 60 11.664 23.954 -19.934 1.00 0.00 C ATOM 896 CG ASP A 60 12.850 24.853 -20.209 1.00 0.00 C ATOM 897 OD1 ASP A 60 13.920 24.634 -19.598 1.00 0.00 O ATOM 898 OD2 ASP A 60 12.719 25.778 -21.037 1.00 0.00 O ATOM 0 H ASP A 60 10.511 23.490 -22.339 1.00 0.00 H new ATOM 0 HA ASP A 60 12.665 22.236 -20.751 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.743 24.507 -20.120 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.661 23.675 -18.880 1.00 0.00 H new ATOM 903 N VAL A 61 9.539 21.553 -20.939 1.00 0.00 N ATOM 904 CA VAL A 61 8.478 20.659 -20.494 1.00 0.00 C ATOM 905 C VAL A 61 8.887 19.203 -20.675 1.00 0.00 C ATOM 906 O VAL A 61 8.978 18.700 -21.800 1.00 0.00 O ATOM 907 CB VAL A 61 7.156 20.909 -21.252 1.00 0.00 C ATOM 908 CG1 VAL A 61 6.049 20.009 -20.721 1.00 0.00 C ATOM 909 CG2 VAL A 61 6.748 22.369 -21.157 1.00 0.00 C ATOM 0 H VAL A 61 9.341 22.044 -21.811 1.00 0.00 H new ATOM 0 HA VAL A 61 8.315 20.868 -19.437 1.00 0.00 H new ATOM 0 HB VAL A 61 7.319 20.667 -22.302 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.128 20.203 -21.270 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.335 18.965 -20.850 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.890 20.213 -19.662 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.814 22.522 -21.698 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.610 22.641 -20.111 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.527 22.994 -21.594 1.00 0.00 H new ATOM 919 N MET A 62 9.149 18.538 -19.563 1.00 0.00 N ATOM 920 CA MET A 62 9.490 17.124 -19.576 1.00 0.00 C ATOM 921 C MET A 62 8.436 16.329 -18.823 1.00 0.00 C ATOM 922 O MET A 62 7.867 16.816 -17.845 1.00 0.00 O ATOM 923 CB MET A 62 10.861 16.890 -18.937 1.00 0.00 C ATOM 924 CG MET A 62 12.004 17.600 -19.644 1.00 0.00 C ATOM 925 SD MET A 62 13.602 17.283 -18.868 1.00 0.00 S ATOM 926 CE MET A 62 13.320 17.944 -17.226 1.00 0.00 C ATOM 0 H MET A 62 9.132 18.957 -18.633 1.00 0.00 H new ATOM 0 HA MET A 62 9.526 16.791 -20.613 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.828 17.222 -17.899 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.066 15.819 -18.923 1.00 0.00 H new ATOM 0 HG2 MET A 62 12.039 17.278 -20.685 1.00 0.00 H new ATOM 0 HG3 MET A 62 11.813 18.673 -19.649 1.00 0.00 H new ATOM 0 HE1 MET A 62 14.277 18.168 -16.755 1.00 0.00 H new ATOM 0 HE2 MET A 62 12.729 18.857 -17.298 1.00 0.00 H new ATOM 0 HE3 MET A 62 12.783 17.210 -16.626 1.00 0.00 H new ATOM 936 N ARG A 63 8.162 15.121 -19.289 1.00 0.00 N ATOM 937 CA ARG A 63 7.240 14.233 -18.598 1.00 0.00 C ATOM 938 C ARG A 63 7.987 13.025 -18.056 1.00 0.00 C ATOM 939 O ARG A 63 8.945 12.551 -18.670 1.00 0.00 O ATOM 940 CB ARG A 63 6.110 13.766 -19.527 1.00 0.00 C ATOM 941 CG ARG A 63 6.598 13.040 -20.772 1.00 0.00 C ATOM 942 CD ARG A 63 5.479 12.277 -21.465 1.00 0.00 C ATOM 943 NE ARG A 63 4.341 13.133 -21.794 1.00 0.00 N ATOM 944 CZ ARG A 63 3.855 13.297 -23.023 1.00 0.00 C ATOM 945 NH1 ARG A 63 4.426 12.699 -24.062 1.00 0.00 N ATOM 946 NH2 ARG A 63 2.792 14.064 -23.205 1.00 0.00 N ATOM 0 H ARG A 63 8.564 14.733 -20.142 1.00 0.00 H new ATOM 0 HA ARG A 63 6.796 14.790 -17.773 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.444 13.106 -18.971 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.521 14.631 -19.830 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.028 13.761 -21.466 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.394 12.347 -20.499 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.864 11.823 -22.378 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.144 11.464 -20.821 1.00 0.00 H new ATOM 0 HE ARG A 63 3.889 13.638 -21.032 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.245 12.107 -23.923 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.046 12.831 -24.999 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.352 14.524 -22.408 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.413 14.196 -24.143 1.00 0.00 H new ATOM 960 N LEU A 64 7.568 12.549 -16.896 1.00 0.00 N ATOM 961 CA LEU A 64 8.124 11.332 -16.332 1.00 0.00 C ATOM 962 C LEU A 64 7.589 10.139 -17.113 1.00 0.00 C ATOM 963 O LEU A 64 6.399 9.821 -17.050 1.00 0.00 O ATOM 964 CB LEU A 64 7.759 11.215 -14.845 1.00 0.00 C ATOM 965 CG LEU A 64 8.719 10.389 -13.973 1.00 0.00 C ATOM 966 CD1 LEU A 64 8.777 8.934 -14.419 1.00 0.00 C ATOM 967 CD2 LEU A 64 10.108 11.009 -13.984 1.00 0.00 C ATOM 0 H LEU A 64 6.844 12.987 -16.326 1.00 0.00 H new ATOM 0 HA LEU A 64 9.211 11.356 -16.407 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.696 12.220 -14.428 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.764 10.776 -14.770 1.00 0.00 H new ATOM 0 HG LEU A 64 8.335 10.401 -12.953 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.466 8.384 -13.778 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.783 8.492 -14.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.123 8.883 -15.451 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.777 10.414 -13.363 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.487 11.033 -15.006 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.056 12.025 -13.592 1.00 0.00 H new ATOM 979 N GLY A 65 8.468 9.500 -17.862 1.00 0.00 N ATOM 980 CA GLY A 65 8.063 8.393 -18.694 1.00 0.00 C ATOM 981 C GLY A 65 8.016 7.093 -17.927 1.00 0.00 C ATOM 982 O GLY A 65 9.051 6.525 -17.584 1.00 0.00 O ATOM 0 H GLY A 65 9.461 9.730 -17.909 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.080 8.599 -19.118 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.756 8.296 -19.530 1.00 0.00 H new ATOM 986 N ARG A 66 6.817 6.630 -17.625 1.00 0.00 N ATOM 987 CA ARG A 66 6.656 5.357 -16.946 1.00 0.00 C ATOM 988 C ARG A 66 7.028 4.191 -17.865 1.00 0.00 C ATOM 989 O ARG A 66 7.427 3.125 -17.400 1.00 0.00 O ATOM 990 CB ARG A 66 5.229 5.185 -16.394 1.00 0.00 C ATOM 991 CG ARG A 66 4.122 5.281 -17.440 1.00 0.00 C ATOM 992 CD ARG A 66 3.716 6.724 -17.720 1.00 0.00 C ATOM 993 NE ARG A 66 3.838 7.062 -19.139 1.00 0.00 N ATOM 994 CZ ARG A 66 2.957 7.793 -19.824 1.00 0.00 C ATOM 995 NH1 ARG A 66 1.892 8.310 -19.219 1.00 0.00 N ATOM 996 NH2 ARG A 66 3.157 8.019 -21.118 1.00 0.00 N ATOM 0 H ARG A 66 5.944 7.113 -17.838 1.00 0.00 H new ATOM 0 HA ARG A 66 7.341 5.353 -16.098 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.160 4.216 -15.900 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.056 5.944 -15.631 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.458 4.814 -18.366 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.252 4.721 -17.098 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.687 6.880 -17.397 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.340 7.397 -17.132 1.00 0.00 H new ATOM 0 HE ARG A 66 4.655 6.714 -19.640 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.743 8.149 -18.223 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.224 8.868 -19.751 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.980 7.634 -21.582 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.487 8.577 -21.648 1.00 0.00 H new ATOM 1010 N GLU A 67 6.915 4.410 -19.170 1.00 0.00 N ATOM 1011 CA GLU A 67 7.288 3.407 -20.163 1.00 0.00 C ATOM 1012 C GLU A 67 8.795 3.161 -20.130 1.00 0.00 C ATOM 1013 O GLU A 67 9.281 2.109 -20.547 1.00 0.00 O ATOM 1014 CB GLU A 67 6.837 3.822 -21.576 1.00 0.00 C ATOM 1015 CG GLU A 67 7.184 5.255 -21.968 1.00 0.00 C ATOM 1016 CD GLU A 67 6.140 6.263 -21.520 1.00 0.00 C ATOM 1017 OE1 GLU A 67 6.116 6.608 -20.327 1.00 0.00 O ATOM 1018 OE2 GLU A 67 5.339 6.719 -22.361 1.00 0.00 O ATOM 0 H GLU A 67 6.565 5.281 -19.569 1.00 0.00 H new ATOM 0 HA GLU A 67 6.776 2.478 -19.911 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.289 3.144 -22.299 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.757 3.692 -21.649 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.148 5.521 -21.534 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.295 5.313 -23.051 1.00 0.00 H new ATOM 1025 N GLN A 68 9.519 4.148 -19.625 1.00 0.00 N ATOM 1026 CA GLN A 68 10.968 4.071 -19.497 1.00 0.00 C ATOM 1027 C GLN A 68 11.336 3.083 -18.395 1.00 0.00 C ATOM 1028 O GLN A 68 12.338 2.372 -18.479 1.00 0.00 O ATOM 1029 CB GLN A 68 11.517 5.454 -19.152 1.00 0.00 C ATOM 1030 CG GLN A 68 10.885 6.574 -19.966 1.00 0.00 C ATOM 1031 CD GLN A 68 11.571 6.808 -21.300 1.00 0.00 C ATOM 1032 OE1 GLN A 68 12.147 5.892 -21.886 1.00 0.00 O ATOM 1033 NE2 GLN A 68 11.486 8.028 -21.809 1.00 0.00 N ATOM 0 H GLN A 68 9.120 5.025 -19.292 1.00 0.00 H new ATOM 0 HA GLN A 68 11.399 3.731 -20.439 1.00 0.00 H new ATOM 0 HB2 GLN A 68 11.353 5.648 -18.092 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.595 5.460 -19.314 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.835 6.338 -20.142 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.912 7.496 -19.385 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.000 8.763 -21.294 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.906 8.233 -22.716 1.00 0.00 H new ATOM 1042 N LEU A 69 10.491 3.037 -17.369 1.00 0.00 N ATOM 1043 CA LEU A 69 10.698 2.159 -16.223 1.00 0.00 C ATOM 1044 C LEU A 69 10.624 0.695 -16.642 1.00 0.00 C ATOM 1045 O LEU A 69 11.241 -0.170 -16.020 1.00 0.00 O ATOM 1046 CB LEU A 69 9.660 2.450 -15.134 1.00 0.00 C ATOM 1047 CG LEU A 69 9.687 3.872 -14.567 1.00 0.00 C ATOM 1048 CD1 LEU A 69 8.552 4.069 -13.573 1.00 0.00 C ATOM 1049 CD2 LEU A 69 11.029 4.159 -13.908 1.00 0.00 C ATOM 0 H LEU A 69 9.646 3.606 -17.309 1.00 0.00 H new ATOM 0 HA LEU A 69 11.693 2.352 -15.822 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.667 2.258 -15.541 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.810 1.747 -14.315 1.00 0.00 H new ATOM 0 HG LEU A 69 9.551 4.574 -15.390 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.585 5.085 -13.179 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.598 3.905 -14.073 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.659 3.358 -12.753 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.030 5.174 -13.511 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.194 3.451 -13.096 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.825 4.057 -14.645 1.00 0.00 H new ATOM 1061 N GLN A 70 9.866 0.430 -17.704 1.00 0.00 N ATOM 1062 CA GLN A 70 9.727 -0.920 -18.245 1.00 0.00 C ATOM 1063 C GLN A 70 11.092 -1.501 -18.610 1.00 0.00 C ATOM 1064 O GLN A 70 11.331 -2.698 -18.466 1.00 0.00 O ATOM 1065 CB GLN A 70 8.820 -0.906 -19.479 1.00 0.00 C ATOM 1066 CG GLN A 70 7.418 -0.378 -19.205 1.00 0.00 C ATOM 1067 CD GLN A 70 6.611 -1.269 -18.276 1.00 0.00 C ATOM 1068 OE1 GLN A 70 5.773 -0.789 -17.513 1.00 0.00 O ATOM 1069 NE2 GLN A 70 6.837 -2.571 -18.344 1.00 0.00 N ATOM 0 H GLN A 70 9.335 1.139 -18.210 1.00 0.00 H new ATOM 0 HA GLN A 70 9.276 -1.549 -17.478 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.284 -0.294 -20.253 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.746 -1.919 -19.875 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.491 0.618 -18.769 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.885 -0.274 -20.150 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.540 -2.934 -18.988 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.309 -3.212 -17.752 1.00 0.00 H new ATOM 1078 N ILE A 71 11.987 -0.641 -19.079 1.00 0.00 N ATOM 1079 CA ILE A 71 13.336 -1.058 -19.439 1.00 0.00 C ATOM 1080 C ILE A 71 14.177 -1.297 -18.186 1.00 0.00 C ATOM 1081 O ILE A 71 15.002 -2.211 -18.133 1.00 0.00 O ATOM 1082 CB ILE A 71 14.027 -0.002 -20.330 1.00 0.00 C ATOM 1083 CG1 ILE A 71 13.151 0.315 -21.547 1.00 0.00 C ATOM 1084 CG2 ILE A 71 15.400 -0.492 -20.775 1.00 0.00 C ATOM 1085 CD1 ILE A 71 13.720 1.389 -22.449 1.00 0.00 C ATOM 0 H ILE A 71 11.802 0.352 -19.219 1.00 0.00 H new ATOM 0 HA ILE A 71 13.254 -1.989 -20.000 1.00 0.00 H new ATOM 0 HB ILE A 71 14.162 0.910 -19.748 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.010 -0.596 -22.128 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.166 0.629 -21.202 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.871 0.265 -21.402 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.022 -0.676 -19.899 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.290 -1.416 -21.343 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.043 1.557 -23.287 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.835 2.315 -21.885 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.692 1.070 -22.826 1.00 0.00 H new ATOM 1097 N LEU A 72 13.944 -0.477 -17.168 1.00 0.00 N ATOM 1098 CA LEU A 72 14.731 -0.529 -15.941 1.00 0.00 C ATOM 1099 C LEU A 72 14.352 -1.726 -15.073 1.00 0.00 C ATOM 1100 O LEU A 72 15.189 -2.259 -14.344 1.00 0.00 O ATOM 1101 CB LEU A 72 14.560 0.766 -15.140 1.00 0.00 C ATOM 1102 CG LEU A 72 15.029 2.039 -15.848 1.00 0.00 C ATOM 1103 CD1 LEU A 72 14.822 3.248 -14.952 1.00 0.00 C ATOM 1104 CD2 LEU A 72 16.491 1.923 -16.255 1.00 0.00 C ATOM 0 H LEU A 72 13.213 0.235 -17.168 1.00 0.00 H new ATOM 0 HA LEU A 72 15.776 -0.641 -16.232 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.507 0.879 -14.884 1.00 0.00 H new ATOM 0 HB3 LEU A 72 15.107 0.669 -14.202 1.00 0.00 H new ATOM 0 HG LEU A 72 14.433 2.168 -16.752 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.160 4.146 -15.469 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.763 3.345 -14.711 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.394 3.122 -14.033 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.803 2.839 -16.757 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.105 1.768 -15.367 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.614 1.078 -16.933 1.00 0.00 H new ATOM 1116 N LEU A 73 13.095 -2.154 -15.147 1.00 0.00 N ATOM 1117 CA LEU A 73 12.629 -3.264 -14.320 1.00 0.00 C ATOM 1118 C LEU A 73 13.307 -4.570 -14.721 1.00 0.00 C ATOM 1119 O LEU A 73 13.440 -5.480 -13.905 1.00 0.00 O ATOM 1120 CB LEU A 73 11.092 -3.390 -14.352 1.00 0.00 C ATOM 1121 CG LEU A 73 10.445 -3.744 -15.698 1.00 0.00 C ATOM 1122 CD1 LEU A 73 10.488 -5.245 -15.958 1.00 0.00 C ATOM 1123 CD2 LEU A 73 9.010 -3.246 -15.733 1.00 0.00 C ATOM 0 H LEU A 73 12.387 -1.755 -15.764 1.00 0.00 H new ATOM 0 HA LEU A 73 12.911 -3.048 -13.290 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.800 -4.150 -13.627 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.668 -2.445 -14.012 1.00 0.00 H new ATOM 0 HG LEU A 73 11.015 -3.252 -16.486 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.022 -5.461 -16.919 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.524 -5.582 -15.974 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.949 -5.767 -15.167 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.559 -3.502 -16.692 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.443 -3.714 -14.929 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.997 -2.164 -15.603 1.00 0.00 H new ATOM 1135 N GLU A 74 13.753 -4.653 -15.974 1.00 0.00 N ATOM 1136 CA GLU A 74 14.418 -5.856 -16.468 1.00 0.00 C ATOM 1137 C GLU A 74 15.815 -6.013 -15.869 1.00 0.00 C ATOM 1138 O GLU A 74 16.506 -6.995 -16.142 1.00 0.00 O ATOM 1139 CB GLU A 74 14.503 -5.859 -17.995 1.00 0.00 C ATOM 1140 CG GLU A 74 13.154 -5.984 -18.681 1.00 0.00 C ATOM 1141 CD GLU A 74 13.278 -6.420 -20.126 1.00 0.00 C ATOM 1142 OE1 GLU A 74 13.408 -5.552 -21.009 1.00 0.00 O ATOM 1143 OE2 GLU A 74 13.248 -7.643 -20.387 1.00 0.00 O ATOM 0 H GLU A 74 13.666 -3.905 -16.662 1.00 0.00 H new ATOM 0 HA GLU A 74 13.811 -6.704 -16.152 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.985 -4.939 -18.325 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.140 -6.684 -18.313 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.539 -6.703 -18.139 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.637 -5.025 -18.637 1.00 0.00 H new ATOM 1150 N GLN A 75 16.242 -5.041 -15.069 1.00 0.00 N ATOM 1151 CA GLN A 75 17.486 -5.170 -14.329 1.00 0.00 C ATOM 1152 C GLN A 75 17.223 -5.936 -13.039 1.00 0.00 C ATOM 1153 O GLN A 75 18.121 -6.576 -12.492 1.00 0.00 O ATOM 1154 CB GLN A 75 18.084 -3.797 -14.014 1.00 0.00 C ATOM 1155 CG GLN A 75 18.249 -2.903 -15.233 1.00 0.00 C ATOM 1156 CD GLN A 75 19.074 -3.540 -16.335 1.00 0.00 C ATOM 1157 OE1 GLN A 75 19.967 -4.351 -16.080 1.00 0.00 O ATOM 1158 NE2 GLN A 75 18.771 -3.180 -17.573 1.00 0.00 N ATOM 0 H GLN A 75 15.747 -4.162 -14.919 1.00 0.00 H new ATOM 0 HA GLN A 75 18.205 -5.714 -14.941 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.447 -3.292 -13.288 1.00 0.00 H new ATOM 0 HB3 GLN A 75 19.057 -3.935 -13.542 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.264 -2.650 -15.626 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.721 -1.969 -14.929 1.00 0.00 H new ATOM 0 HE21 GLN A 75 18.024 -2.505 -17.740 1.00 0.00 H new ATOM 0 HE22 GLN A 75 19.284 -3.577 -18.360 1.00 0.00 H new ATOM 1167 N ASN A 76 15.975 -5.837 -12.564 1.00 0.00 N ATOM 1168 CA ASN A 76 15.481 -6.559 -11.380 1.00 0.00 C ATOM 1169 C ASN A 76 16.061 -6.002 -10.076 1.00 0.00 C ATOM 1170 O ASN A 76 15.388 -5.970 -9.046 1.00 0.00 O ATOM 1171 CB ASN A 76 15.768 -8.060 -11.505 1.00 0.00 C ATOM 1172 CG ASN A 76 15.123 -8.875 -10.403 1.00 0.00 C ATOM 1173 OD1 ASN A 76 15.736 -9.144 -9.369 1.00 0.00 O ATOM 1174 ND2 ASN A 76 13.881 -9.280 -10.620 1.00 0.00 N ATOM 0 H ASN A 76 15.267 -5.244 -12.997 1.00 0.00 H new ATOM 0 HA ASN A 76 14.402 -6.409 -11.339 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.408 -8.415 -12.471 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.846 -8.222 -11.487 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.396 -9.837 -9.916 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.409 -9.035 -11.491 1.00 0.00 H new ATOM 1181 N ILE A 77 17.300 -5.548 -10.135 1.00 0.00 N ATOM 1182 CA ILE A 77 17.996 -4.999 -8.981 1.00 0.00 C ATOM 1183 C ILE A 77 17.594 -3.545 -8.715 1.00 0.00 C ATOM 1184 O ILE A 77 18.448 -2.693 -8.473 1.00 0.00 O ATOM 1185 CB ILE A 77 19.515 -5.052 -9.205 1.00 0.00 C ATOM 1186 CG1 ILE A 77 19.869 -4.334 -10.509 1.00 0.00 C ATOM 1187 CG2 ILE A 77 19.989 -6.496 -9.246 1.00 0.00 C ATOM 1188 CD1 ILE A 77 21.248 -3.731 -10.508 1.00 0.00 C ATOM 0 H ILE A 77 17.857 -5.549 -10.990 1.00 0.00 H new ATOM 0 HA ILE A 77 17.717 -5.605 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 77 20.017 -4.549 -8.378 1.00 0.00 H new ATOM 0 HG12 ILE A 77 19.791 -5.040 -11.336 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.137 -3.547 -10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 77 21.067 -6.521 -9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.750 -6.984 -8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.490 -7.020 -10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 77 21.431 -3.239 -11.463 1.00 0.00 H new ATOM 0 HD12 ILE A 77 21.325 -3.001 -9.703 1.00 0.00 H new ATOM 0 HD13 ILE A 77 21.988 -4.517 -10.357 1.00 0.00 H new ATOM 1200 N ASN A 78 16.296 -3.276 -8.741 1.00 0.00 N ATOM 1201 CA ASN A 78 15.771 -1.921 -8.544 1.00 0.00 C ATOM 1202 C ASN A 78 16.327 -1.273 -7.277 1.00 0.00 C ATOM 1203 O ASN A 78 16.652 -0.085 -7.273 1.00 0.00 O ATOM 1204 CB ASN A 78 14.242 -1.944 -8.485 1.00 0.00 C ATOM 1205 CG ASN A 78 13.612 -2.243 -9.831 1.00 0.00 C ATOM 1206 OD1 ASN A 78 13.421 -3.401 -10.198 1.00 0.00 O ATOM 1207 ND2 ASN A 78 13.278 -1.198 -10.573 1.00 0.00 N ATOM 0 H ASN A 78 15.577 -3.982 -8.898 1.00 0.00 H new ATOM 0 HA ASN A 78 16.093 -1.323 -9.396 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.921 -2.695 -7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.881 -0.981 -8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.845 -1.338 -11.486 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.454 -0.253 -10.232 1.00 0.00 H new ATOM 1214 N GLU A 79 16.448 -2.061 -6.214 1.00 0.00 N ATOM 1215 CA GLU A 79 16.997 -1.572 -4.951 1.00 0.00 C ATOM 1216 C GLU A 79 18.475 -1.218 -5.095 1.00 0.00 C ATOM 1217 O GLU A 79 18.919 -0.169 -4.629 1.00 0.00 O ATOM 1218 CB GLU A 79 16.832 -2.621 -3.853 1.00 0.00 C ATOM 1219 CG GLU A 79 15.388 -2.898 -3.474 1.00 0.00 C ATOM 1220 CD GLU A 79 15.272 -4.004 -2.448 1.00 0.00 C ATOM 1221 OE1 GLU A 79 15.625 -3.769 -1.272 1.00 0.00 O ATOM 1222 OE2 GLU A 79 14.866 -5.123 -2.822 1.00 0.00 O ATOM 0 H GLU A 79 16.173 -3.043 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 79 16.445 -0.673 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.295 -3.551 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.373 -2.291 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.936 -1.988 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.825 -3.171 -4.367 1.00 0.00 H new ATOM 1229 N ARG A 80 19.225 -2.095 -5.755 1.00 0.00 N ATOM 1230 CA ARG A 80 20.667 -1.916 -5.916 1.00 0.00 C ATOM 1231 C ARG A 80 20.959 -0.737 -6.830 1.00 0.00 C ATOM 1232 O ARG A 80 21.876 0.050 -6.591 1.00 0.00 O ATOM 1233 CB ARG A 80 21.295 -3.175 -6.508 1.00 0.00 C ATOM 1234 CG ARG A 80 22.802 -3.237 -6.324 1.00 0.00 C ATOM 1235 CD ARG A 80 23.381 -4.559 -6.798 1.00 0.00 C ATOM 1236 NE ARG A 80 24.822 -4.628 -6.563 1.00 0.00 N ATOM 1237 CZ ARG A 80 25.471 -5.738 -6.205 1.00 0.00 C ATOM 1238 NH1 ARG A 80 24.817 -6.888 -6.087 1.00 0.00 N ATOM 1239 NH2 ARG A 80 26.778 -5.702 -5.975 1.00 0.00 N ATOM 0 H ARG A 80 18.857 -2.941 -6.190 1.00 0.00 H new ATOM 0 HA ARG A 80 21.095 -1.724 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 80 20.843 -4.051 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.063 -3.223 -7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.268 -2.419 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 80 23.045 -3.092 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.887 -5.381 -6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 80 23.178 -4.686 -7.861 1.00 0.00 H new ATOM 0 HE ARG A 80 25.366 -3.773 -6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.814 -6.926 -6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 80 25.317 -7.734 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 80 27.289 -4.824 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 80 27.271 -6.552 -5.702 1.00 0.00 H new ATOM 1253 N LEU A 81 20.164 -0.635 -7.883 1.00 0.00 N ATOM 1254 CA LEU A 81 20.294 0.448 -8.851 1.00 0.00 C ATOM 1255 C LEU A 81 19.811 1.771 -8.247 1.00 0.00 C ATOM 1256 O LEU A 81 19.977 2.838 -8.840 1.00 0.00 O ATOM 1257 CB LEU A 81 19.514 0.105 -10.125 1.00 0.00 C ATOM 1258 CG LEU A 81 19.779 1.026 -11.316 1.00 0.00 C ATOM 1259 CD1 LEU A 81 21.268 1.097 -11.612 1.00 0.00 C ATOM 1260 CD2 LEU A 81 19.015 0.539 -12.538 1.00 0.00 C ATOM 0 H LEU A 81 19.415 -1.295 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 81 21.346 0.567 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 81 19.755 -0.917 -10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 81 18.448 0.129 -9.897 1.00 0.00 H new ATOM 0 HG LEU A 81 19.431 2.028 -11.065 1.00 0.00 H new ATOM 0 HD11 LEU A 81 21.439 1.757 -12.463 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.794 1.485 -10.740 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.640 0.100 -11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.212 1.204 -13.379 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.338 -0.471 -12.790 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.947 0.535 -12.322 1.00 0.00 H new ATOM 1272 N ASN A 82 19.214 1.673 -7.060 1.00 0.00 N ATOM 1273 CA ASN A 82 18.829 2.835 -6.257 1.00 0.00 C ATOM 1274 C ASN A 82 17.669 3.597 -6.898 1.00 0.00 C ATOM 1275 O ASN A 82 17.628 4.828 -6.885 1.00 0.00 O ATOM 1276 CB ASN A 82 20.039 3.756 -6.040 1.00 0.00 C ATOM 1277 CG ASN A 82 19.915 4.615 -4.795 1.00 0.00 C ATOM 1278 OD1 ASN A 82 20.276 4.189 -3.696 1.00 0.00 O ATOM 1279 ND2 ASN A 82 19.431 5.832 -4.953 1.00 0.00 N ATOM 0 H ASN A 82 18.982 0.780 -6.625 1.00 0.00 H new ATOM 0 HA ASN A 82 18.486 2.478 -5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.942 3.150 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 82 20.158 4.402 -6.910 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.345 6.455 -4.150 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.142 6.150 -5.878 1.00 0.00 H new ATOM 1286 N ILE A 83 16.719 2.856 -7.453 1.00 0.00 N ATOM 1287 CA ILE A 83 15.489 3.452 -7.950 1.00 0.00 C ATOM 1288 C ILE A 83 14.581 3.784 -6.770 1.00 0.00 C ATOM 1289 O ILE A 83 14.358 2.944 -5.897 1.00 0.00 O ATOM 1290 CB ILE A 83 14.752 2.525 -8.962 1.00 0.00 C ATOM 1291 CG1 ILE A 83 15.287 2.727 -10.383 1.00 0.00 C ATOM 1292 CG2 ILE A 83 13.249 2.768 -8.945 1.00 0.00 C ATOM 1293 CD1 ILE A 83 16.755 2.421 -10.549 1.00 0.00 C ATOM 0 H ILE A 83 16.777 1.844 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 83 15.747 4.364 -8.489 1.00 0.00 H new ATOM 0 HB ILE A 83 14.943 1.497 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 83 14.718 2.095 -11.065 1.00 0.00 H new ATOM 0 HG13 ILE A 83 15.108 3.760 -10.681 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.765 2.105 -9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.859 2.569 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.045 3.804 -9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 83 17.047 2.591 -11.585 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.338 3.070 -9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 83 16.942 1.380 -10.286 1.00 0.00 H new ATOM 1305 N GLY A 84 14.092 5.020 -6.740 1.00 0.00 N ATOM 1306 CA GLY A 84 13.263 5.472 -5.641 1.00 0.00 C ATOM 1307 C GLY A 84 12.011 4.635 -5.464 1.00 0.00 C ATOM 1308 O GLY A 84 11.406 4.200 -6.439 1.00 0.00 O ATOM 0 H GLY A 84 14.258 5.720 -7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.844 5.446 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.979 6.511 -5.810 1.00 0.00 H new ATOM 1312 N GLU A 85 11.621 4.425 -4.219 1.00 0.00 N ATOM 1313 CA GLU A 85 10.444 3.626 -3.899 1.00 0.00 C ATOM 1314 C GLU A 85 9.165 4.217 -4.512 1.00 0.00 C ATOM 1315 O GLU A 85 8.375 3.479 -5.103 1.00 0.00 O ATOM 1316 CB GLU A 85 10.300 3.475 -2.385 1.00 0.00 C ATOM 1317 CG GLU A 85 11.504 2.818 -1.730 1.00 0.00 C ATOM 1318 CD GLU A 85 11.281 2.527 -0.264 1.00 0.00 C ATOM 1319 OE1 GLU A 85 10.781 1.429 0.055 1.00 0.00 O ATOM 1320 OE2 GLU A 85 11.603 3.390 0.579 1.00 0.00 O ATOM 0 H GLU A 85 12.106 4.800 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 85 10.585 2.639 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.145 4.459 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.410 2.884 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.734 1.888 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.372 3.468 -1.840 1.00 0.00 H new ATOM 1327 N PRO A 86 8.931 5.549 -4.397 1.00 0.00 N ATOM 1328 CA PRO A 86 7.791 6.205 -5.059 1.00 0.00 C ATOM 1329 C PRO A 86 7.791 5.997 -6.577 1.00 0.00 C ATOM 1330 O PRO A 86 6.773 6.178 -7.242 1.00 0.00 O ATOM 1331 CB PRO A 86 7.983 7.687 -4.728 1.00 0.00 C ATOM 1332 CG PRO A 86 8.790 7.695 -3.480 1.00 0.00 C ATOM 1333 CD PRO A 86 9.706 6.512 -3.584 1.00 0.00 C ATOM 0 HA PRO A 86 6.841 5.796 -4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.497 8.209 -5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.026 8.187 -4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.356 8.622 -3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.151 7.620 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.649 6.775 -4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.950 6.105 -2.603 1.00 0.00 H new ATOM 1341 N LEU A 87 8.935 5.606 -7.118 1.00 0.00 N ATOM 1342 CA LEU A 87 9.055 5.344 -8.546 1.00 0.00 C ATOM 1343 C LEU A 87 8.421 3.996 -8.878 1.00 0.00 C ATOM 1344 O LEU A 87 7.886 3.799 -9.970 1.00 0.00 O ATOM 1345 CB LEU A 87 10.528 5.368 -8.985 1.00 0.00 C ATOM 1346 CG LEU A 87 11.177 6.757 -9.133 1.00 0.00 C ATOM 1347 CD1 LEU A 87 10.583 7.502 -10.319 1.00 0.00 C ATOM 1348 CD2 LEU A 87 11.025 7.585 -7.866 1.00 0.00 C ATOM 0 H LEU A 87 9.795 5.463 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 87 8.530 6.129 -9.090 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.109 4.795 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.608 4.850 -9.941 1.00 0.00 H new ATOM 0 HG LEU A 87 12.242 6.603 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.054 8.481 -10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.758 6.932 -11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.511 7.628 -10.170 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.495 8.558 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.966 7.722 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.504 7.069 -7.034 1.00 0.00 H new ATOM 1360 N LEU A 88 8.468 3.077 -7.917 1.00 0.00 N ATOM 1361 CA LEU A 88 7.841 1.771 -8.078 1.00 0.00 C ATOM 1362 C LEU A 88 6.325 1.904 -8.049 1.00 0.00 C ATOM 1363 O LEU A 88 5.628 1.325 -8.883 1.00 0.00 O ATOM 1364 CB LEU A 88 8.288 0.787 -6.987 1.00 0.00 C ATOM 1365 CG LEU A 88 9.674 0.157 -7.173 1.00 0.00 C ATOM 1366 CD1 LEU A 88 10.776 1.172 -6.934 1.00 0.00 C ATOM 1367 CD2 LEU A 88 9.841 -1.034 -6.244 1.00 0.00 C ATOM 0 H LEU A 88 8.934 3.214 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 88 8.157 1.377 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.273 1.307 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.552 -0.015 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 88 9.752 -0.186 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.746 0.695 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.672 1.996 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.703 1.555 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.829 -1.471 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.735 -0.706 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.078 -1.780 -6.468 1.00 0.00 H new ATOM 1379 N VAL A 89 5.816 2.681 -7.097 1.00 0.00 N ATOM 1380 CA VAL A 89 4.377 2.869 -6.965 1.00 0.00 C ATOM 1381 C VAL A 89 3.822 3.622 -8.171 1.00 0.00 C ATOM 1382 O VAL A 89 2.695 3.381 -8.588 1.00 0.00 O ATOM 1383 CB VAL A 89 3.977 3.585 -5.650 1.00 0.00 C ATOM 1384 CG1 VAL A 89 4.490 2.812 -4.445 1.00 0.00 C ATOM 1385 CG2 VAL A 89 4.479 5.019 -5.612 1.00 0.00 C ATOM 0 H VAL A 89 6.375 3.187 -6.410 1.00 0.00 H new ATOM 0 HA VAL A 89 3.936 1.873 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 89 2.888 3.616 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.200 3.329 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.062 1.810 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.577 2.742 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.178 5.485 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.566 5.026 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.054 5.576 -6.447 1.00 0.00 H new ATOM 1395 N TYR A 90 4.625 4.527 -8.730 1.00 0.00 N ATOM 1396 CA TYR A 90 4.254 5.250 -9.947 1.00 0.00 C ATOM 1397 C TYR A 90 3.962 4.272 -11.084 1.00 0.00 C ATOM 1398 O TYR A 90 3.018 4.457 -11.854 1.00 0.00 O ATOM 1399 CB TYR A 90 5.384 6.197 -10.359 1.00 0.00 C ATOM 1400 CG TYR A 90 5.024 7.147 -11.484 1.00 0.00 C ATOM 1401 CD1 TYR A 90 4.149 8.205 -11.270 1.00 0.00 C ATOM 1402 CD2 TYR A 90 5.567 6.994 -12.754 1.00 0.00 C ATOM 1403 CE1 TYR A 90 3.824 9.081 -12.288 1.00 0.00 C ATOM 1404 CE2 TYR A 90 5.250 7.869 -13.777 1.00 0.00 C ATOM 1405 CZ TYR A 90 4.377 8.911 -13.539 1.00 0.00 C ATOM 1406 OH TYR A 90 4.064 9.791 -14.552 1.00 0.00 O ATOM 0 H TYR A 90 5.541 4.778 -8.358 1.00 0.00 H new ATOM 0 HA TYR A 90 3.354 5.830 -9.743 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.688 6.780 -9.490 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.247 5.604 -10.662 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.715 8.345 -10.291 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.248 6.178 -12.945 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.139 9.896 -12.104 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.684 7.737 -14.757 1.00 0.00 H new ATOM 0 HH TYR A 90 3.842 9.289 -15.364 1.00 0.00 H new ATOM 1416 N LEU A 91 4.780 3.230 -11.175 1.00 0.00 N ATOM 1417 CA LEU A 91 4.607 2.202 -12.192 1.00 0.00 C ATOM 1418 C LEU A 91 3.352 1.385 -11.891 1.00 0.00 C ATOM 1419 O LEU A 91 2.572 1.069 -12.792 1.00 0.00 O ATOM 1420 CB LEU A 91 5.857 1.302 -12.238 1.00 0.00 C ATOM 1421 CG LEU A 91 5.997 0.385 -13.466 1.00 0.00 C ATOM 1422 CD1 LEU A 91 7.441 -0.066 -13.622 1.00 0.00 C ATOM 1423 CD2 LEU A 91 5.090 -0.833 -13.355 1.00 0.00 C ATOM 0 H LEU A 91 5.573 3.075 -10.553 1.00 0.00 H new ATOM 0 HA LEU A 91 4.485 2.668 -13.170 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.739 1.940 -12.186 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.862 0.678 -11.344 1.00 0.00 H new ATOM 0 HG LEU A 91 5.697 0.957 -14.344 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.528 -0.714 -14.494 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.082 0.806 -13.753 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.750 -0.613 -12.731 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.213 -1.460 -14.238 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.355 -1.404 -12.465 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.052 -0.508 -13.282 1.00 0.00 H new ATOM 1435 N ARG A 92 3.151 1.073 -10.615 1.00 0.00 N ATOM 1436 CA ARG A 92 2.004 0.277 -10.188 1.00 0.00 C ATOM 1437 C ARG A 92 0.701 1.052 -10.379 1.00 0.00 C ATOM 1438 O ARG A 92 -0.289 0.509 -10.871 1.00 0.00 O ATOM 1439 CB ARG A 92 2.155 -0.136 -8.721 1.00 0.00 C ATOM 1440 CG ARG A 92 3.442 -0.892 -8.429 1.00 0.00 C ATOM 1441 CD ARG A 92 3.535 -1.303 -6.968 1.00 0.00 C ATOM 1442 NE ARG A 92 2.573 -2.351 -6.623 1.00 0.00 N ATOM 1443 CZ ARG A 92 2.261 -2.692 -5.371 1.00 0.00 C ATOM 1444 NH1 ARG A 92 2.798 -2.041 -4.347 1.00 0.00 N ATOM 1445 NH2 ARG A 92 1.399 -3.675 -5.140 1.00 0.00 N ATOM 0 H ARG A 92 3.769 1.360 -9.856 1.00 0.00 H new ATOM 0 HA ARG A 92 1.968 -0.619 -10.807 1.00 0.00 H new ATOM 0 HB2 ARG A 92 2.118 0.756 -8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 92 1.306 -0.759 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 92 3.494 -1.779 -9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.297 -0.267 -8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 92 4.544 -1.655 -6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 92 3.362 -0.432 -6.336 1.00 0.00 H new ATOM 0 HE ARG A 92 2.114 -2.850 -7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 92 3.452 -1.277 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 92 2.557 -2.305 -3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.972 -4.173 -5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.164 -3.932 -4.181 1.00 0.00 H new ATOM 1459 N ARG A 93 0.712 2.318 -9.991 1.00 0.00 N ATOM 1460 CA ARG A 93 -0.454 3.180 -10.110 1.00 0.00 C ATOM 1461 C ARG A 93 -0.019 4.626 -10.322 1.00 0.00 C ATOM 1462 O ARG A 93 0.579 5.241 -9.442 1.00 0.00 O ATOM 1463 CB ARG A 93 -1.321 3.065 -8.852 1.00 0.00 C ATOM 1464 CG ARG A 93 -2.453 4.079 -8.784 1.00 0.00 C ATOM 1465 CD ARG A 93 -3.243 3.930 -7.495 1.00 0.00 C ATOM 1466 NE ARG A 93 -4.183 5.031 -7.291 1.00 0.00 N ATOM 1467 CZ ARG A 93 -5.320 4.924 -6.604 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -5.687 3.758 -6.085 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -6.093 5.987 -6.439 1.00 0.00 N ATOM 0 H ARG A 93 1.528 2.776 -9.585 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.042 2.863 -10.972 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.743 2.061 -8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.686 3.185 -7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.046 5.088 -8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.117 3.946 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.789 2.987 -7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.554 3.883 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.954 5.937 -7.700 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.097 2.935 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.559 3.685 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.818 6.885 -6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.964 5.908 -5.914 1.00 0.00 H new ATOM 1483 N GLN A 94 -0.308 5.166 -11.491 1.00 0.00 N ATOM 1484 CA GLN A 94 0.069 6.535 -11.792 1.00 0.00 C ATOM 1485 C GLN A 94 -1.023 7.505 -11.348 1.00 0.00 C ATOM 1486 O GLN A 94 -2.027 7.700 -12.034 1.00 0.00 O ATOM 1487 CB GLN A 94 0.396 6.699 -13.284 1.00 0.00 C ATOM 1488 CG GLN A 94 -0.717 6.259 -14.220 1.00 0.00 C ATOM 1489 CD GLN A 94 -0.296 6.263 -15.678 1.00 0.00 C ATOM 1490 OE1 GLN A 94 0.869 6.029 -16.008 1.00 0.00 O ATOM 1491 NE2 GLN A 94 -1.239 6.535 -16.565 1.00 0.00 N ATOM 0 H GLN A 94 -0.799 4.682 -12.243 1.00 0.00 H new ATOM 0 HA GLN A 94 0.973 6.773 -11.231 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.627 7.746 -13.480 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.295 6.126 -13.512 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.043 5.256 -13.943 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.575 6.919 -14.093 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.192 6.724 -16.254 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.013 6.556 -17.559 1.00 0.00 H new ATOM 1500 N ASP A 95 -0.835 8.069 -10.159 1.00 0.00 N ATOM 1501 CA ASP A 95 -1.726 9.109 -9.637 1.00 0.00 C ATOM 1502 C ASP A 95 -1.823 10.241 -10.645 1.00 0.00 C ATOM 1503 O ASP A 95 -2.910 10.702 -10.996 1.00 0.00 O ATOM 1504 CB ASP A 95 -1.200 9.640 -8.302 1.00 0.00 C ATOM 1505 CG ASP A 95 -2.049 10.765 -7.740 1.00 0.00 C ATOM 1506 OD1 ASP A 95 -3.091 10.472 -7.120 1.00 0.00 O ATOM 1507 OD2 ASP A 95 -1.671 11.942 -7.907 1.00 0.00 O ATOM 0 H ASP A 95 -0.069 7.823 -9.532 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.716 8.682 -9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.163 8.824 -7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.178 9.994 -8.435 1.00 0.00 H new ATOM 1512 N LEU A 96 -0.666 10.679 -11.099 1.00 0.00 N ATOM 1513 CA LEU A 96 -0.574 11.574 -12.229 1.00 0.00 C ATOM 1514 C LEU A 96 -0.165 10.758 -13.442 1.00 0.00 C ATOM 1515 O LEU A 96 0.864 10.086 -13.408 1.00 0.00 O ATOM 1516 CB LEU A 96 0.454 12.679 -11.964 1.00 0.00 C ATOM 1517 CG LEU A 96 0.121 13.614 -10.800 1.00 0.00 C ATOM 1518 CD1 LEU A 96 1.252 14.604 -10.573 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -1.184 14.349 -11.063 1.00 0.00 C ATOM 0 H LEU A 96 0.235 10.423 -10.694 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.538 12.053 -12.401 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.421 12.215 -11.771 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.563 13.276 -12.869 1.00 0.00 H new ATOM 0 HG LEU A 96 0.002 13.013 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.999 15.262 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.169 14.062 -10.341 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.401 15.199 -11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.405 15.009 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.092 14.939 -11.975 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.992 13.626 -11.178 1.00 0.00 H new ATOM 1531 N PRO A 97 -0.977 10.774 -14.512 1.00 0.00 N ATOM 1532 CA PRO A 97 -0.694 10.006 -15.732 1.00 0.00 C ATOM 1533 C PRO A 97 0.724 10.244 -16.238 1.00 0.00 C ATOM 1534 O PRO A 97 1.403 9.325 -16.701 1.00 0.00 O ATOM 1535 CB PRO A 97 -1.717 10.543 -16.731 1.00 0.00 C ATOM 1536 CG PRO A 97 -2.849 11.021 -15.890 1.00 0.00 C ATOM 1537 CD PRO A 97 -2.235 11.535 -14.617 1.00 0.00 C ATOM 0 HA PRO A 97 -0.765 8.930 -15.570 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.299 11.352 -17.330 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.039 9.766 -17.425 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.407 11.807 -16.398 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.551 10.213 -15.685 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.052 12.609 -14.664 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.884 11.359 -13.759 1.00 0.00 H new ATOM 1545 N GLU A 98 1.159 11.488 -16.130 1.00 0.00 N ATOM 1546 CA GLU A 98 2.507 11.871 -16.494 1.00 0.00 C ATOM 1547 C GLU A 98 2.953 13.049 -15.638 1.00 0.00 C ATOM 1548 O GLU A 98 2.305 14.098 -15.625 1.00 0.00 O ATOM 1549 CB GLU A 98 2.579 12.223 -17.985 1.00 0.00 C ATOM 1550 CG GLU A 98 1.560 13.266 -18.420 1.00 0.00 C ATOM 1551 CD GLU A 98 1.620 13.556 -19.902 1.00 0.00 C ATOM 1552 OE1 GLU A 98 2.434 14.408 -20.315 1.00 0.00 O ATOM 1553 OE2 GLU A 98 0.851 12.936 -20.665 1.00 0.00 O ATOM 0 H GLU A 98 0.585 12.259 -15.787 1.00 0.00 H new ATOM 0 HA GLU A 98 3.179 11.032 -16.314 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.580 12.589 -18.214 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.429 11.316 -18.571 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.559 12.920 -18.162 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.731 14.189 -17.866 1.00 0.00 H new ATOM 1560 N ILE A 99 4.023 12.862 -14.882 1.00 0.00 N ATOM 1561 CA ILE A 99 4.580 13.949 -14.091 1.00 0.00 C ATOM 1562 C ILE A 99 5.289 14.940 -15.005 1.00 0.00 C ATOM 1563 O ILE A 99 6.357 14.649 -15.543 1.00 0.00 O ATOM 1564 CB ILE A 99 5.560 13.438 -13.011 1.00 0.00 C ATOM 1565 CG1 ILE A 99 4.838 12.500 -12.040 1.00 0.00 C ATOM 1566 CG2 ILE A 99 6.188 14.606 -12.261 1.00 0.00 C ATOM 1567 CD1 ILE A 99 5.743 11.909 -10.980 1.00 0.00 C ATOM 0 H ILE A 99 4.520 11.975 -14.799 1.00 0.00 H new ATOM 0 HA ILE A 99 3.754 14.441 -13.578 1.00 0.00 H new ATOM 0 HB ILE A 99 6.357 12.881 -13.503 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.031 13.047 -11.553 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.378 11.690 -12.606 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.875 14.226 -11.505 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.734 15.237 -12.962 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.405 15.192 -11.779 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.162 11.255 -10.329 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.536 11.334 -11.458 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.183 12.712 -10.389 1.00 0.00 H new ATOM 1579 N THR A 100 4.674 16.092 -15.202 1.00 0.00 N ATOM 1580 CA THR A 100 5.227 17.108 -16.077 1.00 0.00 C ATOM 1581 C THR A 100 5.900 18.211 -15.282 1.00 0.00 C ATOM 1582 O THR A 100 5.349 18.714 -14.298 1.00 0.00 O ATOM 1583 CB THR A 100 4.144 17.716 -16.981 1.00 0.00 C ATOM 1584 OG1 THR A 100 2.943 17.930 -16.227 1.00 0.00 O ATOM 1585 CG2 THR A 100 3.862 16.809 -18.168 1.00 0.00 C ATOM 0 H THR A 100 3.788 16.347 -14.766 1.00 0.00 H new ATOM 0 HA THR A 100 5.973 16.618 -16.702 1.00 0.00 H new ATOM 0 HB THR A 100 4.505 18.673 -17.359 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.257 18.319 -16.808 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.092 17.259 -18.795 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.774 16.678 -18.751 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.518 15.839 -17.811 1.00 0.00 H new ATOM 1593 N ALA A 101 7.091 18.578 -15.712 1.00 0.00 N ATOM 1594 CA ALA A 101 7.849 19.623 -15.053 1.00 0.00 C ATOM 1595 C ALA A 101 8.403 20.608 -16.069 1.00 0.00 C ATOM 1596 O ALA A 101 8.974 20.208 -17.086 1.00 0.00 O ATOM 1597 CB ALA A 101 8.977 19.021 -14.227 1.00 0.00 C ATOM 0 H ALA A 101 7.557 18.165 -16.520 1.00 0.00 H new ATOM 0 HA ALA A 101 7.178 20.162 -14.384 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.536 19.819 -13.739 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.560 18.356 -13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.644 18.457 -14.879 1.00 0.00 H new ATOM 1603 N GLN A 102 8.196 21.889 -15.805 1.00 0.00 N ATOM 1604 CA GLN A 102 8.776 22.949 -16.612 1.00 0.00 C ATOM 1605 C GLN A 102 9.109 24.137 -15.723 1.00 0.00 C ATOM 1606 O GLN A 102 8.482 24.334 -14.677 1.00 0.00 O ATOM 1607 CB GLN A 102 7.848 23.351 -17.775 1.00 0.00 C ATOM 1608 CG GLN A 102 6.460 23.848 -17.374 1.00 0.00 C ATOM 1609 CD GLN A 102 6.402 25.345 -17.113 1.00 0.00 C ATOM 1610 OE1 GLN A 102 6.553 25.803 -15.981 1.00 0.00 O ATOM 1611 NE2 GLN A 102 6.190 26.122 -18.164 1.00 0.00 N ATOM 0 H GLN A 102 7.624 22.221 -15.029 1.00 0.00 H new ATOM 0 HA GLN A 102 9.696 22.581 -17.065 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.340 24.132 -18.355 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.729 22.491 -18.435 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.751 23.597 -18.163 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.139 23.318 -16.477 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.069 25.708 -19.088 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.148 27.135 -18.049 1.00 0.00 H new