USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 522 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 31 GLN : amide:sc= -14.8! C(o=-22!,f=-29!) USER MOD Set 1.2: A 41 GLN : amide:sc= -6.96! C(o=-22!,f=-32!) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= -8.53! C(o=-8.5!,f=-12!) USER MOD Single : A 1 MET CE :methyl -106:sc= -2.13 (180deg=-3.85!) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0178 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -91:sc= -1.09 USER MOD Single : A 9 THR OG1 : rot 6:sc= 0.52! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -81:sc= 1.5 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= -0.0744 (180deg=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.19 F(o=-2.8!,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -169:sc= -1.84 USER MOD Single : A 57 SER OG : rot -19:sc= 0.089 USER MOD Single : A 59 TYR OH : rot 30:sc= -2.11! USER MOD Single : A 60 ASN :FLIP amide:sc= -2.19! C(o=-2.8!,f=-2.2!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -20:sc= -2.08 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.288 F(o=-1.7,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.000 -8.907 10.137 1.00 0.00 N ATOM 2 CA MET A 1 -0.132 -8.168 9.237 1.00 0.00 C ATOM 3 C MET A 1 -0.135 -6.675 9.573 1.00 0.00 C ATOM 4 O MET A 1 -1.173 -6.118 9.929 1.00 0.00 O ATOM 5 CB MET A 1 -0.603 -8.367 7.794 1.00 0.00 C ATOM 6 CG MET A 1 0.445 -7.862 6.800 1.00 0.00 C ATOM 7 SD MET A 1 1.895 -8.901 6.862 1.00 0.00 S ATOM 8 CE MET A 1 1.275 -10.347 6.018 1.00 0.00 C ATOM 0 H1 MET A 1 -1.566 -9.588 9.592 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.422 -9.418 10.835 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.634 -8.245 10.629 1.00 0.00 H new ATOM 0 HA MET A 1 0.884 -8.545 9.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.800 -9.424 7.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.542 -7.837 7.638 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.031 -7.861 5.792 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.715 -6.832 7.035 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.095 -11.142 6.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.342 -10.100 5.511 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.009 -10.683 5.285 1.00 0.00 H new ATOM 16 N GLN A 2 1.037 -6.071 9.449 1.00 0.00 N ATOM 17 CA GLN A 2 1.183 -4.654 9.736 1.00 0.00 C ATOM 18 C GLN A 2 2.223 -4.028 8.805 1.00 0.00 C ATOM 19 O GLN A 2 3.418 -4.285 8.941 1.00 0.00 O ATOM 20 CB GLN A 2 1.553 -4.427 11.204 1.00 0.00 C ATOM 21 CG GLN A 2 0.510 -5.048 12.135 1.00 0.00 C ATOM 22 CD GLN A 2 0.885 -4.829 13.602 1.00 0.00 C ATOM 23 OE1 GLN A 2 1.428 -5.695 14.266 1.00 0.00 O ATOM 24 NE2 GLN A 2 0.565 -3.624 14.067 1.00 0.00 N ATOM 0 H GLN A 2 1.895 -6.537 9.154 1.00 0.00 H new ATOM 0 HA GLN A 2 0.225 -4.166 9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.532 -4.862 11.407 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.632 -3.358 11.402 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.468 -4.609 11.936 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.427 -6.116 11.933 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.111 -2.945 13.456 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.774 -3.379 15.035 1.00 0.00 H new ATOM 31 N ILE A 3 1.730 -3.218 7.879 1.00 0.00 N ATOM 32 CA ILE A 3 2.601 -2.553 6.926 1.00 0.00 C ATOM 33 C ILE A 3 2.660 -1.059 7.250 1.00 0.00 C ATOM 34 O ILE A 3 1.996 -0.594 8.175 1.00 0.00 O ATOM 35 CB ILE A 3 2.157 -2.854 5.493 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.677 -2.523 5.297 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.476 -4.301 5.113 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.471 -1.634 4.068 1.00 0.00 C ATOM 0 H ILE A 3 0.738 -3.008 7.769 1.00 0.00 H new ATOM 0 HA ILE A 3 3.618 -2.937 7.008 1.00 0.00 H new ATOM 0 HB ILE A 3 2.723 -2.212 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.107 -3.445 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.293 -2.018 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.150 -4.489 4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.550 -4.469 5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.955 -4.978 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.590 -1.414 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.023 -0.703 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.833 -2.151 3.180 1.00 0.00 H new ATOM 49 N PHE A 4 3.461 -0.347 6.471 1.00 0.00 N ATOM 50 CA PHE A 4 3.614 1.085 6.664 1.00 0.00 C ATOM 51 C PHE A 4 3.506 1.832 5.333 1.00 0.00 C ATOM 52 O PHE A 4 3.330 1.215 4.284 1.00 0.00 O ATOM 53 CB PHE A 4 5.009 1.310 7.249 1.00 0.00 C ATOM 54 CG PHE A 4 5.291 0.501 8.517 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.713 0.859 9.694 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.118 -0.577 8.466 1.00 0.00 C ATOM 57 CE1 PHE A 4 4.973 0.108 10.871 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.379 -1.328 9.642 1.00 0.00 C ATOM 59 CZ PHE A 4 5.801 -0.970 10.821 1.00 0.00 C ATOM 0 H PHE A 4 4.011 -0.735 5.705 1.00 0.00 H new ATOM 0 HA PHE A 4 2.831 1.458 7.324 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.753 1.055 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.131 2.370 7.472 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.056 1.715 9.734 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.576 -0.862 7.531 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.513 0.393 11.806 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.037 -2.184 9.601 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.000 -1.541 11.716 1.00 0.00 H new ATOM 68 N VAL A 5 3.616 3.150 5.420 1.00 0.00 N ATOM 69 CA VAL A 5 3.531 3.987 4.236 1.00 0.00 C ATOM 70 C VAL A 5 4.453 5.197 4.407 1.00 0.00 C ATOM 71 O VAL A 5 4.477 5.819 5.468 1.00 0.00 O ATOM 72 CB VAL A 5 2.076 4.376 3.971 1.00 0.00 C ATOM 73 CG1 VAL A 5 1.978 5.389 2.828 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.221 3.140 3.685 1.00 0.00 C ATOM 0 H VAL A 5 3.763 3.658 6.292 1.00 0.00 H new ATOM 0 HA VAL A 5 3.870 3.440 3.356 1.00 0.00 H new ATOM 0 HB VAL A 5 1.687 4.850 4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.933 5.648 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.538 6.287 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.394 4.954 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.191 3.445 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.610 2.624 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.252 2.469 4.544 1.00 0.00 H new ATOM 84 N LYS A 6 5.187 5.497 3.345 1.00 0.00 N ATOM 85 CA LYS A 6 6.107 6.621 3.364 1.00 0.00 C ATOM 86 C LYS A 6 5.496 7.788 2.586 1.00 0.00 C ATOM 87 O LYS A 6 5.204 7.661 1.397 1.00 0.00 O ATOM 88 CB LYS A 6 7.485 6.195 2.853 1.00 0.00 C ATOM 89 CG LYS A 6 8.436 5.908 4.016 1.00 0.00 C ATOM 90 CD LYS A 6 9.867 6.324 3.671 1.00 0.00 C ATOM 91 CE LYS A 6 10.771 6.256 4.903 1.00 0.00 C ATOM 92 NZ LYS A 6 12.176 6.019 4.503 1.00 0.00 N ATOM 0 H LYS A 6 5.163 4.981 2.466 1.00 0.00 H new ATOM 0 HA LYS A 6 6.265 6.967 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.387 5.306 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.902 6.981 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.102 6.444 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.411 4.845 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.261 5.673 2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.868 7.338 3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.699 7.187 5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.435 5.457 5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.776 5.976 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.243 5.119 3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.498 6.795 3.891 1.00 0.00 H new ATOM 102 N THR A 7 5.320 8.898 3.287 1.00 0.00 N ATOM 103 CA THR A 7 4.748 10.086 2.675 1.00 0.00 C ATOM 104 C THR A 7 5.858 11.026 2.197 1.00 0.00 C ATOM 105 O THR A 7 6.987 10.953 2.678 1.00 0.00 O ATOM 106 CB THR A 7 3.802 10.731 3.690 1.00 0.00 C ATOM 107 OG1 THR A 7 4.587 10.844 4.873 1.00 0.00 O ATOM 108 CG2 THR A 7 2.654 9.803 4.092 1.00 0.00 C ATOM 0 H THR A 7 5.563 9.000 4.272 1.00 0.00 H new ATOM 0 HA THR A 7 4.171 9.834 1.785 1.00 0.00 H new ATOM 0 HB THR A 7 3.395 11.652 3.273 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.470 10.040 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.013 10.309 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.071 9.542 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.059 8.896 4.540 1.00 0.00 H new ATOM 116 N LEU A 8 5.495 11.884 1.256 1.00 0.00 N ATOM 117 CA LEU A 8 6.446 12.837 0.707 1.00 0.00 C ATOM 118 C LEU A 8 7.062 13.650 1.846 1.00 0.00 C ATOM 119 O LEU A 8 8.197 14.114 1.739 1.00 0.00 O ATOM 120 CB LEU A 8 5.781 13.695 -0.371 1.00 0.00 C ATOM 121 CG LEU A 8 5.345 12.960 -1.640 1.00 0.00 C ATOM 122 CD1 LEU A 8 4.581 13.894 -2.581 1.00 0.00 C ATOM 123 CD2 LEU A 8 6.541 12.303 -2.332 1.00 0.00 C ATOM 0 H LEU A 8 4.557 11.940 0.860 1.00 0.00 H new ATOM 0 HA LEU A 8 7.264 12.316 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.906 14.176 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.473 14.488 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 8 4.660 12.162 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.283 13.346 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.693 14.273 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.222 14.729 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.203 11.787 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.269 13.067 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.004 11.585 -1.655 1.00 0.00 H new ATOM 134 N THR A 9 6.289 13.797 2.912 1.00 0.00 N ATOM 135 CA THR A 9 6.746 14.547 4.070 1.00 0.00 C ATOM 136 C THR A 9 7.675 13.687 4.928 1.00 0.00 C ATOM 137 O THR A 9 8.187 14.147 5.948 1.00 0.00 O ATOM 138 CB THR A 9 5.513 15.047 4.825 1.00 0.00 C ATOM 139 OG1 THR A 9 6.017 15.425 6.103 1.00 0.00 O ATOM 140 CG2 THR A 9 4.519 13.926 5.132 1.00 0.00 C ATOM 0 H THR A 9 5.349 13.410 2.998 1.00 0.00 H new ATOM 0 HA THR A 9 7.337 15.413 3.773 1.00 0.00 H new ATOM 0 HB THR A 9 5.017 15.820 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.994 15.354 6.103 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.663 14.335 5.668 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.181 13.474 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.004 13.168 5.747 1.00 0.00 H new ATOM 148 N GLY A 10 7.866 12.453 4.485 1.00 0.00 N ATOM 149 CA GLY A 10 8.725 11.525 5.200 1.00 0.00 C ATOM 150 C GLY A 10 8.050 11.026 6.478 1.00 0.00 C ATOM 151 O GLY A 10 8.702 10.873 7.510 1.00 0.00 O ATOM 0 H GLY A 10 7.440 12.074 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.966 10.678 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.667 12.014 5.449 1.00 0.00 H new ATOM 155 N LYS A 11 6.751 10.786 6.368 1.00 0.00 N ATOM 156 CA LYS A 11 5.980 10.308 7.504 1.00 0.00 C ATOM 157 C LYS A 11 5.736 8.805 7.352 1.00 0.00 C ATOM 158 O LYS A 11 5.570 8.309 6.239 1.00 0.00 O ATOM 159 CB LYS A 11 4.697 11.126 7.663 1.00 0.00 C ATOM 160 CG LYS A 11 4.656 11.822 9.025 1.00 0.00 C ATOM 161 CD LYS A 11 3.242 11.804 9.609 1.00 0.00 C ATOM 162 CE LYS A 11 2.586 13.180 9.499 1.00 0.00 C ATOM 163 NZ LYS A 11 2.471 13.808 10.835 1.00 0.00 N ATOM 0 H LYS A 11 6.213 10.913 5.511 1.00 0.00 H new ATOM 0 HA LYS A 11 6.537 10.449 8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.635 11.870 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.830 10.474 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.343 11.326 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.997 12.852 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.637 11.066 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.280 11.498 10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.175 13.818 8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.598 13.083 9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.023 14.742 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.890 13.206 11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.418 13.918 11.250 1.00 0.00 H new ATOM 173 N THR A 12 5.722 8.122 8.488 1.00 0.00 N ATOM 174 CA THR A 12 5.502 6.687 8.495 1.00 0.00 C ATOM 175 C THR A 12 4.145 6.358 9.122 1.00 0.00 C ATOM 176 O THR A 12 3.942 6.567 10.317 1.00 0.00 O ATOM 177 CB THR A 12 6.679 6.031 9.219 1.00 0.00 C ATOM 178 OG1 THR A 12 7.766 6.164 8.306 1.00 0.00 O ATOM 179 CG2 THR A 12 6.504 4.518 9.371 1.00 0.00 C ATOM 0 H THR A 12 5.860 8.537 9.410 1.00 0.00 H new ATOM 0 HA THR A 12 5.462 6.289 7.481 1.00 0.00 H new ATOM 0 HB THR A 12 6.797 6.484 10.204 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.572 5.766 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.367 4.102 9.891 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.600 4.312 9.945 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.420 4.061 8.385 1.00 0.00 H new ATOM 187 N ILE A 13 3.251 5.851 8.286 1.00 0.00 N ATOM 188 CA ILE A 13 1.918 5.493 8.743 1.00 0.00 C ATOM 189 C ILE A 13 1.752 3.973 8.674 1.00 0.00 C ATOM 190 O ILE A 13 1.931 3.373 7.615 1.00 0.00 O ATOM 191 CB ILE A 13 0.856 6.264 7.957 1.00 0.00 C ATOM 192 CG1 ILE A 13 0.956 7.766 8.230 1.00 0.00 C ATOM 193 CG2 ILE A 13 -0.544 5.720 8.248 1.00 0.00 C ATOM 194 CD1 ILE A 13 2.104 8.393 7.436 1.00 0.00 C ATOM 0 H ILE A 13 3.423 5.679 7.295 1.00 0.00 H new ATOM 0 HA ILE A 13 1.782 5.783 9.785 1.00 0.00 H new ATOM 0 HB ILE A 13 1.043 6.117 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.017 8.251 7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.111 7.936 9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.280 6.286 7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.593 4.669 7.963 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.758 5.817 9.312 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.153 9.461 7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.044 7.923 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.934 8.243 6.370 1.00 0.00 H new ATOM 205 N THR A 14 1.411 3.395 9.816 1.00 0.00 N ATOM 206 CA THR A 14 1.219 1.957 9.898 1.00 0.00 C ATOM 207 C THR A 14 -0.172 1.574 9.386 1.00 0.00 C ATOM 208 O THR A 14 -1.128 2.330 9.555 1.00 0.00 O ATOM 209 CB THR A 14 1.473 1.528 11.345 1.00 0.00 C ATOM 210 OG1 THR A 14 2.737 2.105 11.661 1.00 0.00 O ATOM 211 CG2 THR A 14 1.707 0.021 11.476 1.00 0.00 C ATOM 0 H THR A 14 1.263 3.896 10.692 1.00 0.00 H new ATOM 0 HA THR A 14 1.924 1.427 9.258 1.00 0.00 H new ATOM 0 HB THR A 14 0.625 1.819 11.964 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.453 1.541 11.302 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.882 -0.230 12.522 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.830 -0.516 11.116 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.576 -0.265 10.884 1.00 0.00 H new ATOM 219 N LEU A 15 -0.240 0.403 8.772 1.00 0.00 N ATOM 220 CA LEU A 15 -1.497 -0.088 8.234 1.00 0.00 C ATOM 221 C LEU A 15 -1.699 -1.541 8.669 1.00 0.00 C ATOM 222 O LEU A 15 -0.733 -2.280 8.847 1.00 0.00 O ATOM 223 CB LEU A 15 -1.547 0.114 6.719 1.00 0.00 C ATOM 224 CG LEU A 15 -1.751 1.552 6.239 1.00 0.00 C ATOM 225 CD1 LEU A 15 -2.854 2.246 7.038 1.00 0.00 C ATOM 226 CD2 LEU A 15 -0.435 2.334 6.281 1.00 0.00 C ATOM 0 H LEU A 15 0.555 -0.221 8.635 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.333 0.484 8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.617 -0.262 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.353 -0.500 6.317 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.077 1.522 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.978 3.267 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.790 1.701 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.581 2.266 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.606 3.353 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.058 2.356 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.297 1.850 5.635 1.00 0.00 H new ATOM 237 N GLU A 16 -2.963 -1.908 8.827 1.00 0.00 N ATOM 238 CA GLU A 16 -3.305 -3.259 9.237 1.00 0.00 C ATOM 239 C GLU A 16 -4.063 -3.977 8.119 1.00 0.00 C ATOM 240 O GLU A 16 -5.216 -4.366 8.297 1.00 0.00 O ATOM 241 CB GLU A 16 -4.118 -3.250 10.533 1.00 0.00 C ATOM 242 CG GLU A 16 -3.233 -3.571 11.738 1.00 0.00 C ATOM 243 CD GLU A 16 -3.870 -4.652 12.614 1.00 0.00 C ATOM 244 OE1 GLU A 16 -4.025 -5.780 12.100 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.188 -4.324 13.779 1.00 0.00 O ATOM 0 H GLU A 16 -3.763 -1.292 8.678 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.381 -3.804 9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.582 -2.273 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.925 -3.980 10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.254 -3.906 11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.073 -2.668 12.327 1.00 0.00 H new ATOM 250 N VAL A 17 -3.384 -4.132 6.992 1.00 0.00 N ATOM 251 CA VAL A 17 -3.979 -4.797 5.845 1.00 0.00 C ATOM 252 C VAL A 17 -3.461 -6.234 5.769 1.00 0.00 C ATOM 253 O VAL A 17 -2.298 -6.496 6.070 1.00 0.00 O ATOM 254 CB VAL A 17 -3.701 -3.994 4.573 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.448 -2.658 4.594 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.199 -3.780 4.376 1.00 0.00 C ATOM 0 H VAL A 17 -2.427 -3.809 6.849 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.063 -4.847 5.952 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.070 -4.571 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.233 -2.107 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.520 -2.842 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.123 -2.073 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.030 -3.207 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.794 -3.234 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.701 -4.746 4.294 1.00 0.00 H new ATOM 266 N GLU A 18 -4.351 -7.130 5.367 1.00 0.00 N ATOM 267 CA GLU A 18 -3.999 -8.534 5.248 1.00 0.00 C ATOM 268 C GLU A 18 -3.207 -8.776 3.961 1.00 0.00 C ATOM 269 O GLU A 18 -3.252 -7.964 3.038 1.00 0.00 O ATOM 270 CB GLU A 18 -5.247 -9.418 5.297 1.00 0.00 C ATOM 271 CG GLU A 18 -6.245 -8.901 6.335 1.00 0.00 C ATOM 272 CD GLU A 18 -5.564 -8.679 7.688 1.00 0.00 C ATOM 273 OE1 GLU A 18 -4.640 -9.464 7.992 1.00 0.00 O ATOM 274 OE2 GLU A 18 -5.983 -7.731 8.385 1.00 0.00 O ATOM 0 H GLU A 18 -5.316 -6.910 5.120 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.369 -8.803 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.719 -9.442 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.962 -10.442 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.685 -7.966 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.061 -9.615 6.447 1.00 0.00 H new ATOM 279 N PRO A 19 -2.481 -9.926 3.940 1.00 0.00 N ATOM 280 CA PRO A 19 -1.680 -10.285 2.782 1.00 0.00 C ATOM 281 C PRO A 19 -2.565 -10.781 1.636 1.00 0.00 C ATOM 282 O PRO A 19 -2.071 -11.067 0.546 1.00 0.00 O ATOM 283 CB PRO A 19 -0.712 -11.341 3.286 1.00 0.00 C ATOM 284 CG PRO A 19 -1.307 -11.870 4.580 1.00 0.00 C ATOM 285 CD PRO A 19 -2.403 -10.911 5.015 1.00 0.00 C ATOM 0 HA PRO A 19 -1.139 -9.436 2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.592 -12.141 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.277 -10.915 3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.712 -12.871 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.539 -11.947 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.353 -11.429 5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.162 -10.439 5.968 1.00 0.00 H new ATOM 290 N SER A 20 -3.856 -10.869 1.923 1.00 0.00 N ATOM 291 CA SER A 20 -4.812 -11.326 0.930 1.00 0.00 C ATOM 292 C SER A 20 -5.615 -10.141 0.392 1.00 0.00 C ATOM 293 O SER A 20 -6.280 -10.251 -0.637 1.00 0.00 O ATOM 294 CB SER A 20 -5.753 -12.381 1.517 1.00 0.00 C ATOM 295 OG SER A 20 -5.204 -13.693 1.430 1.00 0.00 O ATOM 0 H SER A 20 -4.261 -10.632 2.828 1.00 0.00 H new ATOM 0 HA SER A 20 -4.260 -11.785 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.959 -12.143 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.706 -12.351 0.989 1.00 0.00 H new ATOM 0 HG SER A 20 -5.833 -14.337 1.816 1.00 0.00 H new ATOM 300 N ASP A 21 -5.527 -9.031 1.112 1.00 0.00 N ATOM 301 CA ASP A 21 -6.237 -7.826 0.720 1.00 0.00 C ATOM 302 C ASP A 21 -5.673 -7.316 -0.608 1.00 0.00 C ATOM 303 O ASP A 21 -4.937 -8.030 -1.288 1.00 0.00 O ATOM 304 CB ASP A 21 -6.064 -6.720 1.763 1.00 0.00 C ATOM 305 CG ASP A 21 -7.359 -6.244 2.422 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.189 -7.122 2.744 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.491 -5.013 2.591 1.00 0.00 O ATOM 0 H ASP A 21 -4.974 -8.942 1.965 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.295 -8.073 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.389 -7.077 2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.581 -5.866 1.288 1.00 0.00 H new ATOM 311 N THR A 22 -6.039 -6.086 -0.936 1.00 0.00 N ATOM 312 CA THR A 22 -5.578 -5.472 -2.170 1.00 0.00 C ATOM 313 C THR A 22 -4.948 -4.108 -1.884 1.00 0.00 C ATOM 314 O THR A 22 -5.021 -3.609 -0.762 1.00 0.00 O ATOM 315 CB THR A 22 -6.763 -5.404 -3.135 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.158 -6.764 -3.298 1.00 0.00 O ATOM 317 CG2 THR A 22 -6.349 -4.965 -4.541 1.00 0.00 C ATOM 0 H THR A 22 -6.649 -5.498 -0.369 1.00 0.00 H new ATOM 0 HA THR A 22 -4.793 -6.065 -2.638 1.00 0.00 H new ATOM 0 HB THR A 22 -7.509 -4.713 -2.744 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.923 -6.811 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.227 -4.933 -5.186 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.897 -3.974 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.627 -5.674 -4.946 1.00 0.00 H new ATOM 325 N ILE A 23 -4.344 -3.542 -2.919 1.00 0.00 N ATOM 326 CA ILE A 23 -3.700 -2.245 -2.793 1.00 0.00 C ATOM 327 C ILE A 23 -4.770 -1.167 -2.612 1.00 0.00 C ATOM 328 O ILE A 23 -4.603 -0.249 -1.809 1.00 0.00 O ATOM 329 CB ILE A 23 -2.766 -1.993 -3.978 1.00 0.00 C ATOM 330 CG1 ILE A 23 -1.529 -2.891 -3.902 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.395 -0.512 -4.078 1.00 0.00 C ATOM 332 CD1 ILE A 23 -0.807 -2.717 -2.565 1.00 0.00 C ATOM 0 H ILE A 23 -4.287 -3.958 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.066 -2.218 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.297 -2.254 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.823 -3.933 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.850 -2.651 -4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.730 -0.360 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.299 0.081 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.891 -0.201 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.068 -3.366 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.493 -1.679 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.481 -2.981 -1.750 1.00 0.00 H new ATOM 343 N GLU A 24 -5.846 -1.312 -3.372 1.00 0.00 N ATOM 344 CA GLU A 24 -6.943 -0.361 -3.307 1.00 0.00 C ATOM 345 C GLU A 24 -7.555 -0.355 -1.905 1.00 0.00 C ATOM 346 O GLU A 24 -8.155 0.637 -1.491 1.00 0.00 O ATOM 347 CB GLU A 24 -8.002 -0.671 -4.366 1.00 0.00 C ATOM 348 CG GLU A 24 -8.561 -2.084 -4.185 1.00 0.00 C ATOM 349 CD GLU A 24 -10.077 -2.051 -3.982 1.00 0.00 C ATOM 350 OE1 GLU A 24 -10.543 -1.083 -3.342 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.737 -2.994 -4.470 1.00 0.00 O ATOM 0 H GLU A 24 -5.981 -2.074 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.549 0.634 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.812 0.056 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.567 -0.573 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.320 -2.689 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.086 -2.560 -3.327 1.00 0.00 H new ATOM 356 N ASN A 25 -7.385 -1.472 -1.213 1.00 0.00 N ATOM 357 CA ASN A 25 -7.913 -1.607 0.133 1.00 0.00 C ATOM 358 C ASN A 25 -6.954 -0.943 1.123 1.00 0.00 C ATOM 359 O ASN A 25 -7.370 -0.487 2.186 1.00 0.00 O ATOM 360 CB ASN A 25 -8.054 -3.079 0.525 1.00 0.00 C ATOM 361 CG ASN A 25 -8.591 -3.909 -0.644 1.00 0.00 C ATOM 362 OD1 ASN A 25 -8.332 -5.094 -0.768 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.351 -3.221 -1.490 1.00 0.00 N ATOM 0 H ASN A 25 -6.888 -2.293 -1.560 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.894 -1.132 0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.086 -3.470 0.839 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.726 -3.169 1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.757 -3.684 -2.303 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.528 -2.230 -1.326 1.00 0.00 H new ATOM 369 N VAL A 26 -5.686 -0.912 0.737 1.00 0.00 N ATOM 370 CA VAL A 26 -4.664 -0.313 1.578 1.00 0.00 C ATOM 371 C VAL A 26 -4.738 1.210 1.455 1.00 0.00 C ATOM 372 O VAL A 26 -4.757 1.917 2.462 1.00 0.00 O ATOM 373 CB VAL A 26 -3.289 -0.875 1.210 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.177 -0.138 1.960 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.224 -2.380 1.476 1.00 0.00 C ATOM 0 H VAL A 26 -5.344 -1.292 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.835 -0.564 2.625 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.136 -0.716 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.210 -0.557 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.203 0.920 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.325 -0.252 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.237 -2.755 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.408 -2.571 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.981 -2.888 0.878 1.00 0.00 H new ATOM 385 N LYS A 27 -4.778 1.672 0.214 1.00 0.00 N ATOM 386 CA LYS A 27 -4.850 3.098 -0.053 1.00 0.00 C ATOM 387 C LYS A 27 -6.077 3.683 0.650 1.00 0.00 C ATOM 388 O LYS A 27 -5.982 4.710 1.320 1.00 0.00 O ATOM 389 CB LYS A 27 -4.820 3.364 -1.560 1.00 0.00 C ATOM 390 CG LYS A 27 -3.495 2.903 -2.171 1.00 0.00 C ATOM 391 CD LYS A 27 -3.696 2.407 -3.605 1.00 0.00 C ATOM 392 CE LYS A 27 -3.960 3.575 -4.556 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.699 3.113 -5.752 1.00 0.00 N ATOM 0 H LYS A 27 -4.762 1.083 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.976 3.606 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.648 2.843 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.961 4.428 -1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.781 3.727 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.068 2.106 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.812 1.860 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.533 1.710 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.533 4.347 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.015 4.027 -4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.870 3.919 -6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.138 2.393 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.609 2.703 -5.461 1.00 0.00 H new ATOM 403 N ALA A 28 -7.201 3.003 0.473 1.00 0.00 N ATOM 404 CA ALA A 28 -8.445 3.443 1.082 1.00 0.00 C ATOM 405 C ALA A 28 -8.200 3.764 2.558 1.00 0.00 C ATOM 406 O ALA A 28 -8.815 4.675 3.108 1.00 0.00 O ATOM 407 CB ALA A 28 -9.515 2.366 0.888 1.00 0.00 C ATOM 0 H ALA A 28 -7.276 2.151 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.807 4.353 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.449 2.694 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.672 2.196 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.188 1.439 1.359 1.00 0.00 H new ATOM 413 N LYS A 29 -7.300 2.996 3.156 1.00 0.00 N ATOM 414 CA LYS A 29 -6.967 3.187 4.557 1.00 0.00 C ATOM 415 C LYS A 29 -6.136 4.463 4.709 1.00 0.00 C ATOM 416 O LYS A 29 -6.260 5.173 5.706 1.00 0.00 O ATOM 417 CB LYS A 29 -6.286 1.939 5.121 1.00 0.00 C ATOM 418 CG LYS A 29 -7.293 0.801 5.304 1.00 0.00 C ATOM 419 CD LYS A 29 -6.598 -0.473 5.789 1.00 0.00 C ATOM 420 CE LYS A 29 -7.425 -1.171 6.871 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.524 -0.318 8.077 1.00 0.00 N ATOM 0 H LYS A 29 -6.792 2.241 2.696 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.872 3.322 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.489 1.620 4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.821 2.175 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.057 1.099 6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.802 0.605 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.446 -1.151 4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.612 -0.226 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.423 -1.390 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.966 -2.125 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.625 -0.919 8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.664 0.260 8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.353 0.305 7.995 1.00 0.00 H new ATOM 431 N ILE A 30 -5.306 4.714 3.707 1.00 0.00 N ATOM 432 CA ILE A 30 -4.455 5.891 3.717 1.00 0.00 C ATOM 433 C ILE A 30 -5.325 7.145 3.608 1.00 0.00 C ATOM 434 O ILE A 30 -4.925 8.222 4.048 1.00 0.00 O ATOM 435 CB ILE A 30 -3.385 5.787 2.628 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.740 4.400 2.622 1.00 0.00 C ATOM 437 CG2 ILE A 30 -2.346 6.902 2.773 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.245 4.019 4.019 1.00 0.00 C ATOM 0 H ILE A 30 -5.205 4.122 2.883 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.912 5.961 4.659 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.869 5.920 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.462 3.661 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.906 4.386 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.597 6.806 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.838 7.871 2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.862 6.824 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.791 3.029 3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.506 4.746 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.085 4.010 4.713 1.00 0.00 H new ATOM 449 N GLN A 31 -6.497 6.964 3.019 1.00 0.00 N ATOM 450 CA GLN A 31 -7.427 8.067 2.847 1.00 0.00 C ATOM 451 C GLN A 31 -7.857 8.616 4.208 1.00 0.00 C ATOM 452 O GLN A 31 -7.584 9.771 4.530 1.00 0.00 O ATOM 453 CB GLN A 31 -8.640 7.637 2.019 1.00 0.00 C ATOM 454 CG GLN A 31 -8.205 7.009 0.694 1.00 0.00 C ATOM 455 CD GLN A 31 -7.597 8.059 -0.237 1.00 0.00 C ATOM 456 OE1 GLN A 31 -8.228 9.032 -0.615 1.00 0.00 O ATOM 457 NE2 GLN A 31 -6.338 7.809 -0.586 1.00 0.00 N ATOM 0 H GLN A 31 -6.825 6.069 2.654 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.920 8.863 2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.237 6.922 2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.277 8.500 1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.477 6.220 0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.063 6.542 0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.867 6.976 -0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.844 8.451 -1.206 1.00 0.00 H new ATOM 464 N ASP A 32 -8.523 7.761 4.971 1.00 0.00 N ATOM 465 CA ASP A 32 -8.995 8.146 6.291 1.00 0.00 C ATOM 466 C ASP A 32 -7.795 8.335 7.221 1.00 0.00 C ATOM 467 O ASP A 32 -7.689 9.350 7.906 1.00 0.00 O ATOM 468 CB ASP A 32 -9.894 7.065 6.891 1.00 0.00 C ATOM 469 CG ASP A 32 -11.167 7.582 7.565 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.246 8.814 7.757 1.00 0.00 O ATOM 471 OD2 ASP A 32 -12.031 6.734 7.872 1.00 0.00 O ATOM 0 H ASP A 32 -8.747 6.803 4.700 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.563 9.071 6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.176 6.369 6.101 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.317 6.499 7.623 1.00 0.00 H new ATOM 475 N LYS A 33 -6.921 7.339 7.215 1.00 0.00 N ATOM 476 CA LYS A 33 -5.732 7.381 8.050 1.00 0.00 C ATOM 477 C LYS A 33 -5.221 8.821 8.128 1.00 0.00 C ATOM 478 O LYS A 33 -5.319 9.463 9.173 1.00 0.00 O ATOM 479 CB LYS A 33 -4.687 6.384 7.547 1.00 0.00 C ATOM 480 CG LYS A 33 -5.037 4.959 7.977 1.00 0.00 C ATOM 481 CD LYS A 33 -4.505 4.663 9.381 1.00 0.00 C ATOM 482 CE LYS A 33 -5.645 4.613 10.400 1.00 0.00 C ATOM 483 NZ LYS A 33 -5.128 4.252 11.739 1.00 0.00 N ATOM 0 H LYS A 33 -7.012 6.498 6.645 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.970 7.070 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.625 6.435 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.705 6.654 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.119 4.825 7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.616 4.247 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.972 3.712 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.787 5.430 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.143 5.581 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.392 3.885 10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.915 4.223 12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.673 3.318 11.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.432 4.962 12.045 1.00 0.00 H new ATOM 493 N GLU A 34 -4.686 9.288 7.010 1.00 0.00 N ATOM 494 CA GLU A 34 -4.159 10.639 6.938 1.00 0.00 C ATOM 495 C GLU A 34 -5.297 11.643 6.743 1.00 0.00 C ATOM 496 O GLU A 34 -5.385 12.635 7.464 1.00 0.00 O ATOM 497 CB GLU A 34 -3.119 10.765 5.823 1.00 0.00 C ATOM 498 CG GLU A 34 -1.745 11.121 6.392 1.00 0.00 C ATOM 499 CD GLU A 34 -1.392 12.581 6.100 1.00 0.00 C ATOM 500 OE1 GLU A 34 -1.995 13.453 6.761 1.00 0.00 O ATOM 501 OE2 GLU A 34 -0.526 12.791 5.223 1.00 0.00 O ATOM 0 H GLU A 34 -4.606 8.753 6.145 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.660 10.863 7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.056 9.827 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.432 11.531 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.738 10.950 7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.988 10.467 5.960 1.00 0.00 H new ATOM 506 N GLY A 35 -6.139 11.350 5.763 1.00 0.00 N ATOM 507 CA GLY A 35 -7.268 12.214 5.463 1.00 0.00 C ATOM 508 C GLY A 35 -7.091 12.895 4.103 1.00 0.00 C ATOM 509 O GLY A 35 -7.397 14.077 3.954 1.00 0.00 O ATOM 0 H GLY A 35 -6.062 10.526 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.188 11.630 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.369 12.970 6.242 1.00 0.00 H new ATOM 513 N ILE A 36 -6.599 12.119 3.149 1.00 0.00 N ATOM 514 CA ILE A 36 -6.378 12.633 1.807 1.00 0.00 C ATOM 515 C ILE A 36 -7.155 11.778 0.805 1.00 0.00 C ATOM 516 O ILE A 36 -7.294 10.569 0.990 1.00 0.00 O ATOM 517 CB ILE A 36 -4.880 12.723 1.509 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.226 13.844 2.318 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.630 12.880 0.007 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.878 13.397 2.885 1.00 0.00 C ATOM 0 H ILE A 36 -6.347 11.139 3.278 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.758 13.651 1.720 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.413 11.788 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.086 14.720 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.886 14.142 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.558 12.942 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.041 12.020 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.113 13.790 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.435 14.213 3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.025 12.536 3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.212 13.123 2.067 1.00 0.00 H new ATOM 531 N PRO A 37 -7.654 12.456 -0.264 1.00 0.00 N ATOM 532 CA PRO A 37 -8.413 11.770 -1.296 1.00 0.00 C ATOM 533 C PRO A 37 -7.492 10.952 -2.202 1.00 0.00 C ATOM 534 O PRO A 37 -6.285 11.186 -2.241 1.00 0.00 O ATOM 535 CB PRO A 37 -9.150 12.873 -2.039 1.00 0.00 C ATOM 536 CG PRO A 37 -8.422 14.163 -1.699 1.00 0.00 C ATOM 537 CD PRO A 37 -7.510 13.886 -0.516 1.00 0.00 C ATOM 0 HA PRO A 37 -9.115 11.043 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.143 12.692 -3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.194 12.921 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.843 14.511 -2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.135 14.951 -1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.476 14.146 -0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.802 14.473 0.355 1.00 0.00 H new ATOM 542 N PRO A 38 -8.112 9.983 -2.928 1.00 0.00 N ATOM 543 CA PRO A 38 -7.361 9.128 -3.830 1.00 0.00 C ATOM 544 C PRO A 38 -6.973 9.882 -5.104 1.00 0.00 C ATOM 545 O PRO A 38 -6.357 9.312 -6.004 1.00 0.00 O ATOM 546 CB PRO A 38 -8.272 7.941 -4.097 1.00 0.00 C ATOM 547 CG PRO A 38 -9.670 8.393 -3.710 1.00 0.00 C ATOM 548 CD PRO A 38 -9.539 9.677 -2.907 1.00 0.00 C ATOM 0 HA PRO A 38 -6.413 8.798 -3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.233 7.647 -5.146 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.966 7.074 -3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.277 8.559 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.171 7.624 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.123 10.483 -3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.901 9.545 -1.887 1.00 0.00 H new ATOM 553 N ASP A 39 -7.351 11.151 -5.139 1.00 0.00 N ATOM 554 CA ASP A 39 -7.050 11.989 -6.288 1.00 0.00 C ATOM 555 C ASP A 39 -5.602 12.475 -6.195 1.00 0.00 C ATOM 556 O ASP A 39 -5.055 12.996 -7.165 1.00 0.00 O ATOM 557 CB ASP A 39 -7.960 13.219 -6.326 1.00 0.00 C ATOM 558 CG ASP A 39 -8.729 13.415 -7.633 1.00 0.00 C ATOM 559 OD1 ASP A 39 -8.732 12.460 -8.439 1.00 0.00 O ATOM 560 OD2 ASP A 39 -9.297 14.517 -7.798 1.00 0.00 O ATOM 0 H ASP A 39 -7.863 11.619 -4.391 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.208 11.395 -7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.677 13.147 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.354 14.106 -6.142 1.00 0.00 H new ATOM 564 N GLN A 40 -5.023 12.286 -5.019 1.00 0.00 N ATOM 565 CA GLN A 40 -3.649 12.698 -4.787 1.00 0.00 C ATOM 566 C GLN A 40 -2.909 11.641 -3.964 1.00 0.00 C ATOM 567 O GLN A 40 -1.947 11.955 -3.264 1.00 0.00 O ATOM 568 CB GLN A 40 -3.594 14.064 -4.100 1.00 0.00 C ATOM 569 CG GLN A 40 -4.220 15.146 -4.982 1.00 0.00 C ATOM 570 CD GLN A 40 -5.123 16.069 -4.161 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.987 15.426 -3.382 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -5.040 17.284 -4.231 1.00 0.00 N flip ATOM 0 H GLN A 40 -5.480 11.853 -4.216 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.152 12.793 -5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.120 14.017 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.558 14.323 -3.880 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.434 15.731 -5.459 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.799 14.680 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.353 17.713 -4.851 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.658 17.871 -3.670 1.00 0.00 H new ATOM 579 N GLN A 41 -3.387 10.410 -4.075 1.00 0.00 N ATOM 580 CA GLN A 41 -2.783 9.305 -3.349 1.00 0.00 C ATOM 581 C GLN A 41 -2.337 8.211 -4.322 1.00 0.00 C ATOM 582 O GLN A 41 -3.004 7.959 -5.325 1.00 0.00 O ATOM 583 CB GLN A 41 -3.747 8.745 -2.301 1.00 0.00 C ATOM 584 CG GLN A 41 -3.930 9.730 -1.144 1.00 0.00 C ATOM 585 CD GLN A 41 -3.641 9.056 0.199 1.00 0.00 C ATOM 586 OE1 GLN A 41 -2.541 8.607 0.475 1.00 0.00 O ATOM 587 NE2 GLN A 41 -4.689 9.012 1.018 1.00 0.00 N ATOM 0 H GLN A 41 -4.185 10.153 -4.656 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.904 9.679 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.712 8.538 -2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.366 7.798 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.264 10.582 -1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.949 10.118 -1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.582 9.407 0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.599 8.583 1.939 1.00 0.00 H new ATOM 594 N ARG A 42 -1.213 7.593 -3.994 1.00 0.00 N ATOM 595 CA ARG A 42 -0.670 6.534 -4.826 1.00 0.00 C ATOM 596 C ARG A 42 0.305 5.674 -4.021 1.00 0.00 C ATOM 597 O ARG A 42 1.437 6.083 -3.767 1.00 0.00 O ATOM 598 CB ARG A 42 0.054 7.107 -6.045 1.00 0.00 C ATOM 599 CG ARG A 42 0.748 6.000 -6.842 1.00 0.00 C ATOM 600 CD ARG A 42 0.944 6.416 -8.301 1.00 0.00 C ATOM 601 NE ARG A 42 2.167 7.241 -8.433 1.00 0.00 N ATOM 602 CZ ARG A 42 2.537 7.860 -9.562 1.00 0.00 C ATOM 603 NH1 ARG A 42 1.783 7.751 -10.664 1.00 0.00 N ATOM 604 NH2 ARG A 42 3.662 8.587 -9.589 1.00 0.00 N ATOM 0 H ARG A 42 -0.663 7.806 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.504 5.921 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.659 7.628 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.790 7.844 -5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.714 5.774 -6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.154 5.087 -6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.023 5.531 -8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.077 6.979 -8.647 1.00 0.00 H new ATOM 0 HE ARG A 42 2.765 7.344 -7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.927 7.197 -10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.065 8.222 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.236 8.669 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.944 9.058 -10.448 1.00 0.00 H new ATOM 615 N LEU A 43 -0.168 4.496 -3.639 1.00 0.00 N ATOM 616 CA LEU A 43 0.647 3.574 -2.868 1.00 0.00 C ATOM 617 C LEU A 43 1.605 2.838 -3.808 1.00 0.00 C ATOM 618 O LEU A 43 1.202 2.382 -4.877 1.00 0.00 O ATOM 619 CB LEU A 43 -0.237 2.642 -2.038 1.00 0.00 C ATOM 620 CG LEU A 43 -0.561 3.113 -0.619 1.00 0.00 C ATOM 621 CD1 LEU A 43 -1.298 2.025 0.165 1.00 0.00 C ATOM 622 CD2 LEU A 43 0.703 3.584 0.105 1.00 0.00 C ATOM 0 H LEU A 43 -1.107 4.159 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 43 1.260 4.118 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.175 2.492 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.253 1.670 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.231 3.970 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.516 2.386 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.231 1.779 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.673 1.134 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.444 3.913 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.416 2.762 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.150 4.413 -0.444 1.00 0.00 H new ATOM 633 N ILE A 44 2.854 2.746 -3.376 1.00 0.00 N ATOM 634 CA ILE A 44 3.872 2.074 -4.165 1.00 0.00 C ATOM 635 C ILE A 44 4.770 1.252 -3.238 1.00 0.00 C ATOM 636 O ILE A 44 5.120 1.701 -2.148 1.00 0.00 O ATOM 637 CB ILE A 44 4.636 3.082 -5.025 1.00 0.00 C ATOM 638 CG1 ILE A 44 3.930 3.310 -6.362 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.092 2.652 -5.212 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.915 3.789 -7.430 1.00 0.00 C ATOM 0 H ILE A 44 3.184 3.126 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 44 3.412 1.377 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 44 4.647 4.037 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.456 2.385 -6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.137 4.047 -6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.612 3.386 -5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.579 2.583 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.124 1.679 -5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.386 3.943 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.369 4.727 -7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.693 3.038 -7.570 1.00 0.00 H new ATOM 651 N PHE A 45 5.115 0.061 -3.705 1.00 0.00 N ATOM 652 CA PHE A 45 5.965 -0.829 -2.931 1.00 0.00 C ATOM 653 C PHE A 45 7.259 -1.144 -3.686 1.00 0.00 C ATOM 654 O PHE A 45 7.241 -1.340 -4.900 1.00 0.00 O ATOM 655 CB PHE A 45 5.181 -2.125 -2.722 1.00 0.00 C ATOM 656 CG PHE A 45 5.781 -3.050 -1.660 1.00 0.00 C ATOM 657 CD1 PHE A 45 6.138 -2.550 -0.447 1.00 0.00 C ATOM 658 CD2 PHE A 45 5.957 -4.371 -1.930 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.695 -3.409 0.538 1.00 0.00 C ATOM 660 CE2 PHE A 45 6.514 -5.229 -0.945 1.00 0.00 C ATOM 661 CZ PHE A 45 6.871 -4.729 0.268 1.00 0.00 C ATOM 0 H PHE A 45 4.822 -0.309 -4.609 1.00 0.00 H new ATOM 0 HA PHE A 45 6.233 -0.359 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.158 -1.877 -2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.127 -2.662 -3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.998 -1.501 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.673 -4.768 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.979 -3.013 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.654 -6.278 -1.159 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.295 -5.381 1.017 1.00 0.00 H new ATOM 670 N ALA A 46 8.349 -1.182 -2.935 1.00 0.00 N ATOM 671 CA ALA A 46 9.649 -1.471 -3.516 1.00 0.00 C ATOM 672 C ALA A 46 9.790 -0.714 -4.839 1.00 0.00 C ATOM 673 O ALA A 46 10.177 -1.294 -5.852 1.00 0.00 O ATOM 674 CB ALA A 46 9.807 -2.982 -3.691 1.00 0.00 C ATOM 0 H ALA A 46 8.359 -1.017 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 46 10.448 -1.135 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.782 -3.198 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.727 -3.471 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.024 -3.356 -4.351 1.00 0.00 H new ATOM 680 N GLY A 47 9.469 0.571 -4.786 1.00 0.00 N ATOM 681 CA GLY A 47 9.555 1.413 -5.967 1.00 0.00 C ATOM 682 C GLY A 47 8.943 0.716 -7.183 1.00 0.00 C ATOM 683 O GLY A 47 9.516 0.741 -8.272 1.00 0.00 O ATOM 0 H GLY A 47 9.149 1.049 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.038 2.355 -5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.598 1.656 -6.169 1.00 0.00 H new ATOM 687 N LYS A 48 7.786 0.110 -6.959 1.00 0.00 N ATOM 688 CA LYS A 48 7.090 -0.592 -8.023 1.00 0.00 C ATOM 689 C LYS A 48 5.627 -0.146 -8.052 1.00 0.00 C ATOM 690 O LYS A 48 4.967 -0.103 -7.015 1.00 0.00 O ATOM 691 CB LYS A 48 7.267 -2.105 -7.872 1.00 0.00 C ATOM 692 CG LYS A 48 8.227 -2.653 -8.930 1.00 0.00 C ATOM 693 CD LYS A 48 7.986 -4.145 -9.170 1.00 0.00 C ATOM 694 CE LYS A 48 9.085 -4.988 -8.521 1.00 0.00 C ATOM 695 NZ LYS A 48 10.210 -5.187 -9.462 1.00 0.00 N ATOM 0 H LYS A 48 7.313 0.091 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 48 7.521 -0.338 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.649 -2.333 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.300 -2.599 -7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.096 -2.105 -9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.256 -2.494 -8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.016 -4.430 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.954 -4.344 -10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.443 -4.496 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.680 -5.954 -8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.947 -5.761 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.868 -5.676 -10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.607 -4.263 -9.729 1.00 0.00 H new ATOM 705 N GLN A 49 5.163 0.177 -9.250 1.00 0.00 N ATOM 706 CA GLN A 49 3.791 0.619 -9.428 1.00 0.00 C ATOM 707 C GLN A 49 2.819 -0.473 -8.976 1.00 0.00 C ATOM 708 O GLN A 49 2.835 -1.583 -9.507 1.00 0.00 O ATOM 709 CB GLN A 49 3.528 1.021 -10.880 1.00 0.00 C ATOM 710 CG GLN A 49 3.267 2.524 -10.995 1.00 0.00 C ATOM 711 CD GLN A 49 1.768 2.813 -11.110 1.00 0.00 C ATOM 712 OE1 GLN A 49 1.203 2.872 -12.190 1.00 0.00 O ATOM 713 NE2 GLN A 49 1.160 2.988 -9.941 1.00 0.00 N ATOM 0 H GLN A 49 5.714 0.141 -10.108 1.00 0.00 H new ATOM 0 HA GLN A 49 3.630 1.501 -8.807 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.384 0.749 -11.497 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.670 0.469 -11.264 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.674 3.035 -10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.786 2.921 -11.868 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.694 2.925 -9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.160 3.185 -9.911 1.00 0.00 H new ATOM 720 N LEU A 50 1.994 -0.119 -8.001 1.00 0.00 N ATOM 721 CA LEU A 50 1.017 -1.056 -7.472 1.00 0.00 C ATOM 722 C LEU A 50 -0.290 -0.918 -8.256 1.00 0.00 C ATOM 723 O LEU A 50 -0.538 0.111 -8.882 1.00 0.00 O ATOM 724 CB LEU A 50 0.853 -0.863 -5.963 1.00 0.00 C ATOM 725 CG LEU A 50 1.709 -1.767 -5.074 1.00 0.00 C ATOM 726 CD1 LEU A 50 2.977 -2.213 -5.806 1.00 0.00 C ATOM 727 CD2 LEU A 50 2.025 -1.085 -3.741 1.00 0.00 C ATOM 0 H LEU A 50 1.982 0.803 -7.564 1.00 0.00 H new ATOM 0 HA LEU A 50 1.361 -2.082 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.085 0.175 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.195 -1.023 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 50 1.136 -2.666 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.568 -2.854 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.703 -2.765 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.564 -1.337 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.634 -1.749 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.570 -0.160 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.095 -0.860 -3.218 1.00 0.00 H new ATOM 738 N GLU A 51 -1.093 -1.971 -8.195 1.00 0.00 N ATOM 739 CA GLU A 51 -2.368 -1.980 -8.891 1.00 0.00 C ATOM 740 C GLU A 51 -3.490 -2.398 -7.937 1.00 0.00 C ATOM 741 O GLU A 51 -3.267 -3.184 -7.018 1.00 0.00 O ATOM 742 CB GLU A 51 -2.319 -2.899 -10.114 1.00 0.00 C ATOM 743 CG GLU A 51 -1.324 -2.375 -11.152 1.00 0.00 C ATOM 744 CD GLU A 51 -0.875 -3.494 -12.094 1.00 0.00 C ATOM 745 OE1 GLU A 51 -1.772 -4.141 -12.675 1.00 0.00 O ATOM 746 OE2 GLU A 51 0.356 -3.676 -12.212 1.00 0.00 O ATOM 0 H GLU A 51 -0.885 -2.823 -7.674 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.574 -0.970 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.034 -3.905 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.311 -2.971 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.783 -1.572 -11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.457 -1.950 -10.647 1.00 0.00 H new ATOM 751 N ASP A 52 -4.671 -1.852 -8.190 1.00 0.00 N ATOM 752 CA ASP A 52 -5.828 -2.158 -7.366 1.00 0.00 C ATOM 753 C ASP A 52 -6.349 -3.552 -7.722 1.00 0.00 C ATOM 754 O ASP A 52 -7.291 -4.044 -7.102 1.00 0.00 O ATOM 755 CB ASP A 52 -6.957 -1.155 -7.607 1.00 0.00 C ATOM 756 CG ASP A 52 -7.293 -0.901 -9.078 1.00 0.00 C ATOM 757 OD1 ASP A 52 -7.626 -1.892 -9.763 1.00 0.00 O ATOM 758 OD2 ASP A 52 -7.209 0.278 -9.485 1.00 0.00 O ATOM 0 H ASP A 52 -4.851 -1.200 -8.953 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.520 -2.109 -6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.854 -1.512 -7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.686 -0.207 -7.143 1.00 0.00 H new ATOM 762 N GLY A 53 -5.714 -4.148 -8.721 1.00 0.00 N ATOM 763 CA GLY A 53 -6.102 -5.475 -9.167 1.00 0.00 C ATOM 764 C GLY A 53 -5.149 -6.538 -8.620 1.00 0.00 C ATOM 765 O GLY A 53 -5.489 -7.719 -8.575 1.00 0.00 O ATOM 0 H GLY A 53 -4.934 -3.736 -9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.119 -5.690 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.105 -5.510 -10.256 1.00 0.00 H new ATOM 769 N ARG A 54 -3.972 -6.081 -8.217 1.00 0.00 N ATOM 770 CA ARG A 54 -2.966 -6.979 -7.675 1.00 0.00 C ATOM 771 C ARG A 54 -3.263 -7.282 -6.205 1.00 0.00 C ATOM 772 O ARG A 54 -4.361 -7.011 -5.721 1.00 0.00 O ATOM 773 CB ARG A 54 -1.566 -6.372 -7.791 1.00 0.00 C ATOM 774 CG ARG A 54 -0.714 -7.147 -8.797 1.00 0.00 C ATOM 775 CD ARG A 54 0.322 -8.017 -8.084 1.00 0.00 C ATOM 776 NE ARG A 54 1.021 -8.880 -9.062 1.00 0.00 N ATOM 777 CZ ARG A 54 2.255 -9.370 -8.885 1.00 0.00 C ATOM 778 NH1 ARG A 54 2.935 -9.086 -7.767 1.00 0.00 N ATOM 779 NH2 ARG A 54 2.810 -10.144 -9.828 1.00 0.00 N ATOM 0 H ARG A 54 -3.693 -5.101 -8.255 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.998 -7.902 -8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.642 -5.330 -8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.080 -6.380 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.356 -7.774 -9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.210 -6.449 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.043 -7.386 -7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.166 -8.632 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 54 0.532 -9.117 -9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.513 -8.496 -7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.875 -9.459 -7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.293 -10.360 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.750 -10.517 -9.693 1.00 0.00 H new ATOM 790 N THR A 55 -2.265 -7.842 -5.536 1.00 0.00 N ATOM 791 CA THR A 55 -2.405 -8.185 -4.131 1.00 0.00 C ATOM 792 C THR A 55 -1.058 -8.065 -3.415 1.00 0.00 C ATOM 793 O THR A 55 -0.014 -7.987 -4.061 1.00 0.00 O ATOM 794 CB THR A 55 -3.017 -9.585 -4.045 1.00 0.00 C ATOM 795 OG1 THR A 55 -2.738 -10.164 -5.318 1.00 0.00 O ATOM 796 CG2 THR A 55 -4.545 -9.554 -3.977 1.00 0.00 C ATOM 0 H THR A 55 -1.356 -8.067 -5.941 1.00 0.00 H new ATOM 0 HA THR A 55 -3.072 -7.491 -3.619 1.00 0.00 H new ATOM 0 HB THR A 55 -2.626 -10.099 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.244 -10.998 -5.416 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.927 -10.573 -3.917 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.859 -8.996 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.939 -9.070 -4.871 1.00 0.00 H new ATOM 804 N LEU A 56 -1.127 -8.054 -2.092 1.00 0.00 N ATOM 805 CA LEU A 56 0.075 -7.945 -1.282 1.00 0.00 C ATOM 806 C LEU A 56 0.876 -9.245 -1.389 1.00 0.00 C ATOM 807 O LEU A 56 2.075 -9.217 -1.663 1.00 0.00 O ATOM 808 CB LEU A 56 -0.281 -7.558 0.155 1.00 0.00 C ATOM 809 CG LEU A 56 -1.513 -6.666 0.323 1.00 0.00 C ATOM 810 CD1 LEU A 56 -1.625 -6.152 1.760 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.507 -5.525 -0.696 1.00 0.00 C ATOM 0 H LEU A 56 -1.995 -8.119 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 56 0.714 -7.144 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.437 -8.472 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.575 -7.048 0.596 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.400 -7.268 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.509 -5.521 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.710 -6.997 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.737 -5.572 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.393 -4.906 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.614 -4.917 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.510 -5.938 -1.705 1.00 0.00 H new ATOM 822 N SER A 57 0.182 -10.350 -1.166 1.00 0.00 N ATOM 823 CA SER A 57 0.813 -11.657 -1.234 1.00 0.00 C ATOM 824 C SER A 57 1.358 -11.903 -2.643 1.00 0.00 C ATOM 825 O SER A 57 2.183 -12.793 -2.846 1.00 0.00 O ATOM 826 CB SER A 57 -0.168 -12.765 -0.843 1.00 0.00 C ATOM 827 OG SER A 57 0.433 -14.055 -0.902 1.00 0.00 O ATOM 0 H SER A 57 -0.812 -10.368 -0.938 1.00 0.00 H new ATOM 0 HA SER A 57 1.639 -11.674 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.537 -12.583 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.031 -12.736 -1.508 1.00 0.00 H new ATOM 0 HG SER A 57 1.240 -14.015 -1.456 1.00 0.00 H new ATOM 832 N ASP A 58 0.875 -11.099 -3.578 1.00 0.00 N ATOM 833 CA ASP A 58 1.303 -11.218 -4.962 1.00 0.00 C ATOM 834 C ASP A 58 2.515 -10.314 -5.195 1.00 0.00 C ATOM 835 O ASP A 58 3.438 -10.682 -5.921 1.00 0.00 O ATOM 836 CB ASP A 58 0.195 -10.778 -5.920 1.00 0.00 C ATOM 837 CG ASP A 58 -0.839 -11.857 -6.251 1.00 0.00 C ATOM 838 OD1 ASP A 58 -1.265 -12.546 -5.299 1.00 0.00 O ATOM 839 OD2 ASP A 58 -1.180 -11.968 -7.449 1.00 0.00 O ATOM 0 H ASP A 58 0.191 -10.362 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 58 1.550 -12.263 -5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.321 -9.922 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.652 -10.437 -6.849 1.00 0.00 H new ATOM 843 N TYR A 59 2.474 -9.148 -4.567 1.00 0.00 N ATOM 844 CA TYR A 59 3.558 -8.189 -4.697 1.00 0.00 C ATOM 845 C TYR A 59 4.732 -8.562 -3.789 1.00 0.00 C ATOM 846 O TYR A 59 5.735 -7.851 -3.740 1.00 0.00 O ATOM 847 CB TYR A 59 2.987 -6.843 -4.246 1.00 0.00 C ATOM 848 CG TYR A 59 2.310 -6.050 -5.364 1.00 0.00 C ATOM 849 CD1 TYR A 59 2.890 -5.984 -6.614 1.00 0.00 C ATOM 850 CD2 TYR A 59 1.116 -5.399 -5.123 1.00 0.00 C ATOM 851 CE1 TYR A 59 2.252 -5.236 -7.667 1.00 0.00 C ATOM 852 CE2 TYR A 59 0.478 -4.651 -6.176 1.00 0.00 C ATOM 853 CZ TYR A 59 1.077 -4.607 -7.395 1.00 0.00 C ATOM 854 OH TYR A 59 0.475 -3.902 -8.389 1.00 0.00 O ATOM 0 H TYR A 59 1.707 -8.846 -3.967 1.00 0.00 H new ATOM 0 HA TYR A 59 3.927 -8.164 -5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.265 -7.015 -3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.792 -6.241 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.823 -6.494 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.661 -5.451 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.696 -5.176 -8.650 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.455 -4.137 -6.001 1.00 0.00 H new ATOM 0 HH TYR A 59 0.693 -4.306 -9.255 1.00 0.00 H new ATOM 863 N ASN A 60 4.569 -9.677 -3.091 1.00 0.00 N ATOM 864 CA ASN A 60 5.603 -10.152 -2.188 1.00 0.00 C ATOM 865 C ASN A 60 5.534 -9.360 -0.880 1.00 0.00 C ATOM 866 O ASN A 60 6.389 -9.519 -0.009 1.00 0.00 O ATOM 867 CB ASN A 60 6.995 -9.953 -2.790 1.00 0.00 C ATOM 868 CG ASN A 60 7.004 -10.302 -4.279 1.00 0.00 C ATOM 869 OD1 ASN A 60 7.300 -9.278 -5.073 1.00 0.00 O flip ATOM 870 ND2 ASN A 60 6.756 -11.428 -4.681 1.00 0.00 N flip ATOM 0 H ASN A 60 3.736 -10.265 -3.133 1.00 0.00 H new ATOM 0 HA ASN A 60 5.436 -11.215 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.309 -8.918 -2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.716 -10.577 -2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.536 -12.170 -4.016 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.769 -11.627 -5.681 1.00 0.00 H new ATOM 876 N ILE A 61 4.512 -8.524 -0.786 1.00 0.00 N ATOM 877 CA ILE A 61 4.321 -7.706 0.401 1.00 0.00 C ATOM 878 C ILE A 61 4.179 -8.615 1.623 1.00 0.00 C ATOM 879 O ILE A 61 3.484 -9.629 1.571 1.00 0.00 O ATOM 880 CB ILE A 61 3.146 -6.746 0.207 1.00 0.00 C ATOM 881 CG1 ILE A 61 3.522 -5.601 -0.734 1.00 0.00 C ATOM 882 CG2 ILE A 61 2.628 -6.235 1.554 1.00 0.00 C ATOM 883 CD1 ILE A 61 2.274 -4.887 -1.256 1.00 0.00 C ATOM 0 H ILE A 61 3.807 -8.394 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 61 5.192 -7.074 0.573 1.00 0.00 H new ATOM 0 HB ILE A 61 2.331 -7.295 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.160 -4.889 -0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.100 -5.990 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.793 -5.554 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.294 -7.078 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.427 -5.708 2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.570 -4.077 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.650 -5.596 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.711 -4.478 -0.417 1.00 0.00 H new ATOM 894 N GLN A 62 4.847 -8.219 2.697 1.00 0.00 N ATOM 895 CA GLN A 62 4.804 -8.986 3.931 1.00 0.00 C ATOM 896 C GLN A 62 4.551 -8.059 5.122 1.00 0.00 C ATOM 897 O GLN A 62 4.024 -6.959 4.957 1.00 0.00 O ATOM 898 CB GLN A 62 6.092 -9.787 4.124 1.00 0.00 C ATOM 899 CG GLN A 62 7.265 -8.867 4.471 1.00 0.00 C ATOM 900 CD GLN A 62 8.536 -9.675 4.740 1.00 0.00 C ATOM 901 OE1 GLN A 62 8.518 -10.890 4.851 1.00 0.00 O ATOM 902 NE2 GLN A 62 9.636 -8.935 4.837 1.00 0.00 N ATOM 0 H GLN A 62 5.421 -7.377 2.738 1.00 0.00 H new ATOM 0 HA GLN A 62 3.980 -9.697 3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.953 -10.520 4.919 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.318 -10.343 3.214 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.440 -8.170 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.016 -8.271 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.580 -7.922 4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.536 -9.380 5.015 1.00 0.00 H new ATOM 909 N LYS A 63 4.938 -8.538 6.295 1.00 0.00 N ATOM 910 CA LYS A 63 4.760 -7.766 7.513 1.00 0.00 C ATOM 911 C LYS A 63 5.900 -6.753 7.642 1.00 0.00 C ATOM 912 O LYS A 63 7.042 -7.052 7.300 1.00 0.00 O ATOM 913 CB LYS A 63 4.624 -8.695 8.721 1.00 0.00 C ATOM 914 CG LYS A 63 5.914 -9.486 8.952 1.00 0.00 C ATOM 915 CD LYS A 63 5.666 -10.990 8.821 1.00 0.00 C ATOM 916 CE LYS A 63 6.894 -11.701 8.250 1.00 0.00 C ATOM 917 NZ LYS A 63 6.819 -13.156 8.512 1.00 0.00 N ATOM 0 H LYS A 63 5.374 -9.451 6.428 1.00 0.00 H new ATOM 0 HA LYS A 63 3.831 -7.197 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.388 -8.110 9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.794 -9.384 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.670 -9.174 8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.308 -9.264 9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.421 -11.408 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.806 -11.165 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.959 -11.522 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.800 -11.291 8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.660 -13.624 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.779 -13.322 9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.965 -13.546 8.065 1.00 0.00 H new ATOM 927 N GLU A 64 5.548 -5.574 8.136 1.00 0.00 N ATOM 928 CA GLU A 64 6.527 -4.516 8.313 1.00 0.00 C ATOM 929 C GLU A 64 6.973 -3.972 6.955 1.00 0.00 C ATOM 930 O GLU A 64 7.982 -3.275 6.863 1.00 0.00 O ATOM 931 CB GLU A 64 7.726 -5.008 9.128 1.00 0.00 C ATOM 932 CG GLU A 64 7.267 -5.732 10.395 1.00 0.00 C ATOM 933 CD GLU A 64 7.987 -7.073 10.551 1.00 0.00 C ATOM 934 OE1 GLU A 64 8.253 -7.700 9.503 1.00 0.00 O ATOM 935 OE2 GLU A 64 8.255 -7.441 11.716 1.00 0.00 O ATOM 0 H GLU A 64 4.599 -5.329 8.419 1.00 0.00 H new ATOM 0 HA GLU A 64 6.059 -3.705 8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.332 -5.680 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.359 -4.162 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.462 -5.107 11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.190 -5.896 10.355 1.00 0.00 H new ATOM 940 N SER A 65 6.200 -4.311 5.935 1.00 0.00 N ATOM 941 CA SER A 65 6.502 -3.865 4.586 1.00 0.00 C ATOM 942 C SER A 65 6.019 -2.427 4.389 1.00 0.00 C ATOM 943 O SER A 65 4.821 -2.184 4.253 1.00 0.00 O ATOM 944 CB SER A 65 5.864 -4.786 3.544 1.00 0.00 C ATOM 945 OG SER A 65 6.029 -6.162 3.876 1.00 0.00 O ATOM 0 H SER A 65 5.364 -4.890 6.015 1.00 0.00 H new ATOM 0 HA SER A 65 7.583 -3.901 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.801 -4.558 3.461 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.309 -4.593 2.568 1.00 0.00 H new ATOM 0 HG SER A 65 6.771 -6.259 4.509 1.00 0.00 H new ATOM 950 N THR A 66 6.977 -1.510 4.379 1.00 0.00 N ATOM 951 CA THR A 66 6.664 -0.103 4.201 1.00 0.00 C ATOM 952 C THR A 66 6.412 0.205 2.724 1.00 0.00 C ATOM 953 O THR A 66 7.111 -0.306 1.851 1.00 0.00 O ATOM 954 CB THR A 66 7.806 0.715 4.805 1.00 0.00 C ATOM 955 OG1 THR A 66 7.873 0.273 6.159 1.00 0.00 O ATOM 956 CG2 THR A 66 7.466 2.203 4.917 1.00 0.00 C ATOM 0 H THR A 66 7.970 -1.715 4.491 1.00 0.00 H new ATOM 0 HA THR A 66 5.743 0.165 4.718 1.00 0.00 H new ATOM 0 HB THR A 66 8.701 0.591 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.590 0.753 6.625 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.311 2.737 5.352 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.255 2.604 3.926 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.590 2.329 5.554 1.00 0.00 H new ATOM 964 N LEU A 67 5.409 1.038 2.489 1.00 0.00 N ATOM 965 CA LEU A 67 5.055 1.420 1.132 1.00 0.00 C ATOM 966 C LEU A 67 5.562 2.838 0.858 1.00 0.00 C ATOM 967 O LEU A 67 6.274 3.416 1.677 1.00 0.00 O ATOM 968 CB LEU A 67 3.553 1.248 0.902 1.00 0.00 C ATOM 969 CG LEU A 67 3.031 -0.190 0.922 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.144 -0.834 -0.461 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.739 -1.014 1.998 1.00 0.00 C ATOM 0 H LEU A 67 4.830 1.459 3.215 1.00 0.00 H new ATOM 0 HA LEU A 67 5.541 0.763 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.021 1.817 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.300 1.692 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 67 1.972 -0.166 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.766 -1.856 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.558 -0.260 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.188 -0.846 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.350 -2.032 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.810 -1.034 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.563 -0.564 2.975 1.00 0.00 H new ATOM 982 N HIS A 68 5.174 3.356 -0.298 1.00 0.00 N ATOM 983 CA HIS A 68 5.579 4.695 -0.691 1.00 0.00 C ATOM 984 C HIS A 68 4.360 5.478 -1.182 1.00 0.00 C ATOM 985 O HIS A 68 3.821 5.189 -2.250 1.00 0.00 O ATOM 986 CB HIS A 68 6.704 4.640 -1.726 1.00 0.00 C ATOM 987 CG HIS A 68 8.030 4.182 -1.168 1.00 0.00 C ATOM 988 ND1 HIS A 68 8.357 3.071 -0.445 1.00 0.00 N flip ATOM 989 CD2 HIS A 68 9.202 4.898 -1.333 1.00 0.00 C flip ATOM 990 CE1 HIS A 68 9.658 3.108 -0.185 1.00 0.00 C flip ATOM 991 NE2 HIS A 68 10.183 4.241 -0.734 1.00 0.00 N flip ATOM 0 H HIS A 68 4.584 2.873 -0.975 1.00 0.00 H new ATOM 0 HA HIS A 68 5.983 5.224 0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.409 3.968 -2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.829 5.630 -2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.300 5.835 -1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.210 2.364 0.370 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.160 4.531 -0.691 1.00 0.00 H new ATOM 998 N LEU A 69 3.960 6.453 -0.379 1.00 0.00 N ATOM 999 CA LEU A 69 2.813 7.279 -0.719 1.00 0.00 C ATOM 1000 C LEU A 69 3.295 8.538 -1.443 1.00 0.00 C ATOM 1001 O LEU A 69 3.829 9.453 -0.817 1.00 0.00 O ATOM 1002 CB LEU A 69 1.974 7.569 0.528 1.00 0.00 C ATOM 1003 CG LEU A 69 0.975 8.722 0.410 1.00 0.00 C ATOM 1004 CD1 LEU A 69 -0.055 8.445 -0.688 1.00 0.00 C ATOM 1005 CD2 LEU A 69 0.312 9.013 1.758 1.00 0.00 C ATOM 0 H LEU A 69 4.409 6.690 0.506 1.00 0.00 H new ATOM 0 HA LEU A 69 2.151 6.750 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.426 6.665 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.651 7.784 1.355 1.00 0.00 H new ATOM 0 HG LEU A 69 1.521 9.619 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.753 9.280 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.455 8.326 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.602 7.532 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.393 9.837 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.218 8.125 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.075 9.285 2.487 1.00 0.00 H new ATOM 1016 N VAL A 70 3.087 8.544 -2.752 1.00 0.00 N ATOM 1017 CA VAL A 70 3.493 9.677 -3.568 1.00 0.00 C ATOM 1018 C VAL A 70 2.248 10.408 -4.073 1.00 0.00 C ATOM 1019 O VAL A 70 1.130 10.087 -3.673 1.00 0.00 O ATOM 1020 CB VAL A 70 4.409 9.204 -4.699 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.742 8.692 -4.148 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.722 8.135 -5.551 1.00 0.00 C ATOM 0 H VAL A 70 2.643 7.784 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 70 4.069 10.388 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 70 4.618 10.060 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.374 8.362 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.243 9.493 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.560 7.855 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.395 7.816 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.469 7.279 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.812 8.547 -5.988 1.00 0.00 H new ATOM 1032 N LEU A 71 2.483 11.377 -4.944 1.00 0.00 N ATOM 1033 CA LEU A 71 1.395 12.157 -5.508 1.00 0.00 C ATOM 1034 C LEU A 71 0.935 11.512 -6.817 1.00 0.00 C ATOM 1035 O LEU A 71 1.432 10.453 -7.199 1.00 0.00 O ATOM 1036 CB LEU A 71 1.806 13.623 -5.657 1.00 0.00 C ATOM 1037 CG LEU A 71 0.960 14.640 -4.889 1.00 0.00 C ATOM 1038 CD1 LEU A 71 -0.476 14.666 -5.416 1.00 0.00 C ATOM 1039 CD2 LEU A 71 1.013 14.372 -3.384 1.00 0.00 C ATOM 0 H LEU A 71 3.412 11.640 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 71 0.539 12.157 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.842 13.724 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.777 13.882 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 71 1.383 15.631 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.057 15.397 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.472 14.940 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.924 13.679 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.403 15.109 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.629 13.373 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.044 14.443 -3.038 1.00 0.00 H new ATOM 1050 N ARG A 72 -0.008 12.176 -7.468 1.00 0.00 N ATOM 1051 CA ARG A 72 -0.540 11.680 -8.726 1.00 0.00 C ATOM 1052 C ARG A 72 -0.812 12.843 -9.683 1.00 0.00 C ATOM 1053 O ARG A 72 -0.872 13.998 -9.261 1.00 0.00 O ATOM 1054 CB ARG A 72 -1.836 10.897 -8.505 1.00 0.00 C ATOM 1055 CG ARG A 72 -1.630 9.407 -8.786 1.00 0.00 C ATOM 1056 CD ARG A 72 -2.893 8.608 -8.458 1.00 0.00 C ATOM 1057 NE ARG A 72 -3.619 8.274 -9.704 1.00 0.00 N ATOM 1058 CZ ARG A 72 -3.277 7.274 -10.527 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -2.219 6.504 -10.242 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -3.994 7.045 -11.636 1.00 0.00 N ATOM 0 H ARG A 72 -0.418 13.054 -7.148 1.00 0.00 H new ATOM 0 HA ARG A 72 0.205 11.013 -9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.177 11.034 -7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.618 11.289 -9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.367 9.264 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.795 9.033 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.627 7.694 -7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.537 9.186 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.430 8.841 -9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.673 6.679 -9.398 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.959 5.743 -10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.799 7.632 -11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.734 6.284 -12.263 1.00 0.00 H new ATOM 1071 N LEU A 73 -0.970 12.498 -10.952 1.00 0.00 N ATOM 1072 CA LEU A 73 -1.233 13.499 -11.972 1.00 0.00 C ATOM 1073 C LEU A 73 -2.472 14.307 -11.579 1.00 0.00 C ATOM 1074 O LEU A 73 -3.173 13.954 -10.632 1.00 0.00 O ATOM 1075 CB LEU A 73 -1.339 12.845 -13.351 1.00 0.00 C ATOM 1076 CG LEU A 73 -2.731 12.357 -13.758 1.00 0.00 C ATOM 1077 CD1 LEU A 73 -3.499 11.821 -12.548 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -3.506 13.457 -14.487 1.00 0.00 C ATOM 0 H LEU A 73 -0.921 11.540 -11.297 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.401 14.200 -12.040 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.994 13.560 -14.098 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.655 11.997 -13.382 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.612 11.529 -14.457 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.485 11.481 -12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.951 10.987 -12.109 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.609 12.613 -11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.492 13.084 -14.765 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.616 14.320 -13.831 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.963 13.751 -15.385 1.00 0.00 H new ATOM 1089 N ARG A 74 -2.703 15.377 -12.327 1.00 0.00 N ATOM 1090 CA ARG A 74 -3.846 16.237 -12.068 1.00 0.00 C ATOM 1091 C ARG A 74 -3.704 16.910 -10.700 1.00 0.00 C ATOM 1092 O ARG A 74 -2.754 16.641 -9.968 1.00 0.00 O ATOM 1093 CB ARG A 74 -5.153 15.444 -12.107 1.00 0.00 C ATOM 1094 CG ARG A 74 -6.132 16.051 -13.114 1.00 0.00 C ATOM 1095 CD ARG A 74 -7.581 15.785 -12.698 1.00 0.00 C ATOM 1096 NE ARG A 74 -8.176 17.012 -12.123 1.00 0.00 N ATOM 1097 CZ ARG A 74 -8.537 18.081 -12.846 1.00 0.00 C ATOM 1098 NH1 ARG A 74 -8.369 18.079 -14.174 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -9.070 19.151 -12.239 1.00 0.00 N ATOM 0 H ARG A 74 -2.119 15.667 -13.111 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.874 16.997 -12.849 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.946 14.408 -12.375 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.606 15.433 -11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.963 17.125 -13.189 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.950 15.630 -14.103 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.162 15.459 -13.561 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.616 14.977 -11.967 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.320 17.046 -11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.966 17.264 -14.636 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.644 18.893 -14.724 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.201 19.151 -11.227 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.345 19.965 -12.789 1.00 0.00 H new ATOM 1110 N GLY A 75 -4.665 17.771 -10.398 1.00 0.00 N ATOM 1111 CA GLY A 75 -4.659 18.484 -9.132 1.00 0.00 C ATOM 1112 C GLY A 75 -4.345 19.966 -9.339 1.00 0.00 C ATOM 1113 O GLY A 75 -3.289 20.444 -8.927 1.00 0.00 O ATOM 0 H GLY A 75 -5.452 17.991 -11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.629 18.379 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.919 18.042 -8.465 1.00 0.00 H new ATOM 1117 N GLY A 76 -5.281 20.654 -9.977 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.116 22.073 -10.243 1.00 0.00 C ATOM 1119 C GLY A 76 -6.287 22.876 -9.675 1.00 0.00 C ATOM 1120 O GLY A 76 -7.422 22.729 -10.125 1.00 0.00 O ATOM 0 H GLY A 76 -6.156 20.255 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.182 22.423 -9.803 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.044 22.239 -11.318 1.00 0.00 H new TER 1124 GLY A 76