USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 54 THR OG1 : rot 180:sc= 0.027 USER MOD Set 1.2: A 56 GLN : amide:sc= 0 K(o=0.027,f=-0.48) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.432 (180deg=-0.176) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.249 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.000861 USER MOD Single : A 15 TYR OH : rot 23:sc= 1.05 USER MOD Single : A 16 SER OG : rot 164:sc= 1.28 USER MOD Single : A 20 SER OG : rot -10:sc= 0.86 USER MOD Single : A 21 ASN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 23 TYR OH : rot -146:sc= 1.21 USER MOD Single : A 25 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.084) USER MOD Single : A 29 SER OG : rot 75:sc= 1.21 USER MOD Single : A 30 MET CE :methyl 136:sc= -2.9! (180deg=-5.91!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00258 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 64 LYS NZ :NH3+ 173:sc=-0.00472 (180deg=-0.0736) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.323 1.814 -22.945 1.00 0.00 N ATOM 2 CA MET A 1 11.764 1.616 -22.657 1.00 0.00 C ATOM 3 C MET A 1 12.085 0.133 -22.489 1.00 0.00 C ATOM 4 O MET A 1 13.180 -0.313 -22.839 1.00 0.00 O ATOM 5 CB MET A 1 12.189 2.354 -21.379 1.00 0.00 C ATOM 6 CG MET A 1 11.989 3.860 -21.420 1.00 0.00 C ATOM 7 SD MET A 1 10.255 4.341 -21.257 1.00 0.00 S ATOM 8 CE MET A 1 10.392 6.119 -21.362 1.00 0.00 C ATOM 0 H1 MET A 1 10.215 2.285 -23.866 1.00 0.00 H new ATOM 0 H2 MET A 1 9.844 0.891 -22.969 1.00 0.00 H new ATOM 0 H3 MET A 1 9.898 2.405 -22.202 1.00 0.00 H new ATOM 0 HA MET A 1 12.314 2.022 -23.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.627 1.949 -20.538 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.242 2.146 -21.188 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.566 4.320 -20.618 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.382 4.249 -22.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.401 6.566 -21.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.025 6.484 -20.553 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.834 6.394 -22.320 1.00 0.00 H new ATOM 17 N SER A 2 11.116 -0.623 -21.958 1.00 0.00 N ATOM 18 CA SER A 2 11.326 -2.021 -21.575 1.00 0.00 C ATOM 19 C SER A 2 12.298 -2.088 -20.397 1.00 0.00 C ATOM 20 O SER A 2 13.090 -3.025 -20.264 1.00 0.00 O ATOM 21 CB SER A 2 11.847 -2.845 -22.760 1.00 0.00 C ATOM 22 OG SER A 2 11.000 -2.703 -23.891 1.00 0.00 O ATOM 0 H SER A 2 10.170 -0.283 -21.783 1.00 0.00 H new ATOM 0 HA SER A 2 10.371 -2.450 -21.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.857 -2.523 -23.015 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.909 -3.896 -22.477 1.00 0.00 H new ATOM 0 HG SER A 2 11.354 -3.236 -24.634 1.00 0.00 H new ATOM 28 N ALA A 3 12.216 -1.080 -19.533 1.00 0.00 N ATOM 29 CA ALA A 3 13.096 -0.972 -18.383 1.00 0.00 C ATOM 30 C ALA A 3 12.290 -0.944 -17.096 1.00 0.00 C ATOM 31 O ALA A 3 11.379 -0.129 -16.945 1.00 0.00 O ATOM 32 CB ALA A 3 13.958 0.277 -18.492 1.00 0.00 C ATOM 0 H ALA A 3 11.540 -0.321 -19.613 1.00 0.00 H new ATOM 0 HA ALA A 3 13.747 -1.846 -18.364 1.00 0.00 H new ATOM 0 HB1 ALA A 3 14.612 0.344 -17.623 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.562 0.224 -19.398 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.318 1.158 -18.533 1.00 0.00 H new ATOM 38 N LEU A 4 12.618 -1.843 -16.185 1.00 0.00 N ATOM 39 CA LEU A 4 11.950 -1.912 -14.898 1.00 0.00 C ATOM 40 C LEU A 4 12.900 -2.451 -13.836 1.00 0.00 C ATOM 41 O LEU A 4 14.064 -2.734 -14.126 1.00 0.00 O ATOM 42 CB LEU A 4 10.671 -2.764 -14.992 1.00 0.00 C ATOM 43 CG LEU A 4 10.765 -4.035 -15.850 1.00 0.00 C ATOM 44 CD1 LEU A 4 11.612 -5.100 -15.175 1.00 0.00 C ATOM 45 CD2 LEU A 4 9.375 -4.570 -16.150 1.00 0.00 C ATOM 0 H LEU A 4 13.350 -2.541 -16.315 1.00 0.00 H new ATOM 0 HA LEU A 4 11.654 -0.905 -14.605 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.377 -3.053 -13.983 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.872 -2.139 -15.391 1.00 0.00 H new ATOM 0 HG LEU A 4 11.253 -3.772 -16.789 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.657 -5.985 -15.809 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.620 -4.716 -15.015 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.168 -5.364 -14.215 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.455 -5.471 -16.759 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.867 -4.808 -15.215 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.804 -3.816 -16.692 1.00 0.00 H new ATOM 57 N GLN A 5 12.408 -2.588 -12.614 1.00 0.00 N ATOM 58 CA GLN A 5 13.226 -3.053 -11.507 1.00 0.00 C ATOM 59 C GLN A 5 12.360 -3.778 -10.483 1.00 0.00 C ATOM 60 O GLN A 5 11.883 -3.176 -9.519 1.00 0.00 O ATOM 61 CB GLN A 5 13.956 -1.875 -10.857 1.00 0.00 C ATOM 62 CG GLN A 5 14.813 -2.261 -9.663 1.00 0.00 C ATOM 63 CD GLN A 5 15.564 -1.081 -9.083 1.00 0.00 C ATOM 64 OE1 GLN A 5 15.054 -0.370 -8.219 1.00 0.00 O ATOM 65 NE2 GLN A 5 16.790 -0.880 -9.534 1.00 0.00 N ATOM 0 H GLN A 5 11.441 -2.382 -12.364 1.00 0.00 H new ATOM 0 HA GLN A 5 13.971 -3.752 -11.888 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.588 -1.395 -11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.221 -1.136 -10.539 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.180 -2.699 -8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 5 15.526 -3.029 -9.964 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.176 -1.493 -10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.350 -0.112 -9.164 1.00 0.00 H new ATOM 74 N PRO A 6 12.109 -5.075 -10.709 1.00 0.00 N ATOM 75 CA PRO A 6 11.298 -5.889 -9.821 1.00 0.00 C ATOM 76 C PRO A 6 12.132 -6.573 -8.744 1.00 0.00 C ATOM 77 O PRO A 6 13.368 -6.526 -8.766 1.00 0.00 O ATOM 78 CB PRO A 6 10.706 -6.920 -10.779 1.00 0.00 C ATOM 79 CG PRO A 6 11.756 -7.117 -11.827 1.00 0.00 C ATOM 80 CD PRO A 6 12.587 -5.854 -11.865 1.00 0.00 C ATOM 0 HA PRO A 6 10.557 -5.308 -9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.481 -7.854 -10.265 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.773 -6.564 -11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.378 -7.981 -11.592 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.300 -7.308 -12.798 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.651 -6.075 -11.785 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.444 -5.310 -12.799 1.00 0.00 H new ATOM 88 N SER A 7 11.458 -7.198 -7.795 1.00 0.00 N ATOM 89 CA SER A 7 12.134 -7.926 -6.743 1.00 0.00 C ATOM 90 C SER A 7 11.214 -8.992 -6.151 1.00 0.00 C ATOM 91 O SER A 7 11.229 -10.142 -6.589 1.00 0.00 O ATOM 92 CB SER A 7 12.616 -6.963 -5.657 1.00 0.00 C ATOM 93 OG SER A 7 13.454 -7.615 -4.721 1.00 0.00 O ATOM 0 H SER A 7 10.440 -7.214 -7.734 1.00 0.00 H new ATOM 0 HA SER A 7 13.003 -8.427 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.157 -6.136 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.757 -6.535 -5.141 1.00 0.00 H new ATOM 0 HG SER A 7 13.747 -6.973 -4.041 1.00 0.00 H new ATOM 99 N ARG A 8 10.384 -8.609 -5.181 1.00 0.00 N ATOM 100 CA ARG A 8 9.582 -9.574 -4.451 1.00 0.00 C ATOM 101 C ARG A 8 8.215 -9.004 -4.107 1.00 0.00 C ATOM 102 O ARG A 8 7.866 -7.897 -4.517 1.00 0.00 O ATOM 103 CB ARG A 8 10.306 -10.002 -3.174 1.00 0.00 C ATOM 104 CG ARG A 8 11.623 -10.705 -3.448 1.00 0.00 C ATOM 105 CD ARG A 8 12.345 -11.116 -2.176 1.00 0.00 C ATOM 106 NE ARG A 8 13.701 -11.580 -2.463 1.00 0.00 N ATOM 107 CZ ARG A 8 14.054 -12.859 -2.551 1.00 0.00 C ATOM 108 NH1 ARG A 8 13.166 -13.819 -2.323 1.00 0.00 N ATOM 109 NH2 ARG A 8 15.302 -13.174 -2.860 1.00 0.00 N ATOM 0 H ARG A 8 10.254 -7.641 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 8 9.437 -10.444 -5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.491 -9.124 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.659 -10.665 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.438 -11.589 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.268 -10.046 -4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.385 -10.271 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.785 -11.907 -1.677 1.00 0.00 H new ATOM 0 HE ARG A 8 14.425 -10.876 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.206 -13.578 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.444 -14.798 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.987 -12.437 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.579 -14.153 -2.929 1.00 0.00 H new ATOM 123 N SER A 9 7.452 -9.768 -3.353 1.00 0.00 N ATOM 124 CA SER A 9 6.108 -9.368 -2.979 1.00 0.00 C ATOM 125 C SER A 9 6.072 -8.832 -1.548 1.00 0.00 C ATOM 126 O SER A 9 6.814 -9.294 -0.674 1.00 0.00 O ATOM 127 CB SER A 9 5.160 -10.557 -3.128 1.00 0.00 C ATOM 128 OG SER A 9 5.260 -11.124 -4.426 1.00 0.00 O ATOM 0 H SER A 9 7.740 -10.674 -2.985 1.00 0.00 H new ATOM 0 HA SER A 9 5.786 -8.565 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.396 -11.312 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.135 -10.235 -2.945 1.00 0.00 H new ATOM 0 HG SER A 9 4.646 -11.884 -4.499 1.00 0.00 H new ATOM 134 N TYR A 10 5.221 -7.842 -1.325 1.00 0.00 N ATOM 135 CA TYR A 10 5.029 -7.264 -0.004 1.00 0.00 C ATOM 136 C TYR A 10 3.566 -7.404 0.389 1.00 0.00 C ATOM 137 O TYR A 10 2.684 -7.024 -0.376 1.00 0.00 O ATOM 138 CB TYR A 10 5.400 -5.777 -0.001 1.00 0.00 C ATOM 139 CG TYR A 10 6.757 -5.461 -0.596 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.898 -5.447 0.194 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.891 -5.169 -1.950 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.135 -5.151 -0.345 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.124 -4.871 -2.495 1.00 0.00 C ATOM 144 CZ TYR A 10 9.243 -4.866 -1.690 1.00 0.00 C ATOM 145 OH TYR A 10 10.472 -4.563 -2.232 1.00 0.00 O ATOM 0 H TYR A 10 4.646 -7.418 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 10 5.671 -7.789 0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.639 -5.226 -0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.375 -5.413 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.817 -5.671 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.017 -5.176 -2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.013 -5.143 0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.211 -4.643 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 10 10.373 -4.389 -3.191 1.00 0.00 H new ATOM 155 N ARG A 11 3.301 -7.952 1.563 1.00 0.00 N ATOM 156 CA ARG A 11 1.926 -8.087 2.024 1.00 0.00 C ATOM 157 C ARG A 11 1.505 -6.861 2.813 1.00 0.00 C ATOM 158 O ARG A 11 2.339 -6.155 3.371 1.00 0.00 O ATOM 159 CB ARG A 11 1.738 -9.338 2.880 1.00 0.00 C ATOM 160 CG ARG A 11 1.857 -10.636 2.103 1.00 0.00 C ATOM 161 CD ARG A 11 1.518 -11.830 2.978 1.00 0.00 C ATOM 162 NE ARG A 11 1.489 -13.078 2.217 1.00 0.00 N ATOM 163 CZ ARG A 11 1.148 -14.258 2.735 1.00 0.00 C ATOM 164 NH1 ARG A 11 0.748 -14.345 3.997 1.00 0.00 N ATOM 165 NH2 ARG A 11 1.188 -15.348 1.978 1.00 0.00 N ATOM 0 H ARG A 11 4.007 -8.307 2.208 1.00 0.00 H new ATOM 0 HA ARG A 11 1.296 -8.181 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.479 -9.335 3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.758 -9.298 3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.189 -10.611 1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.871 -10.741 1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.252 -11.912 3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.548 -11.670 3.449 1.00 0.00 H new ATOM 0 HE ARG A 11 1.745 -13.044 1.230 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.700 -13.506 4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.488 -15.250 4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.479 -15.281 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.928 -16.252 2.372 1.00 0.00 H new ATOM 179 N ILE A 12 0.210 -6.617 2.861 1.00 0.00 N ATOM 180 CA ILE A 12 -0.323 -5.467 3.576 1.00 0.00 C ATOM 181 C ILE A 12 -0.973 -5.922 4.873 1.00 0.00 C ATOM 182 O ILE A 12 -2.006 -6.595 4.853 1.00 0.00 O ATOM 183 CB ILE A 12 -1.368 -4.702 2.733 1.00 0.00 C ATOM 184 CG1 ILE A 12 -0.807 -4.380 1.344 1.00 0.00 C ATOM 185 CG2 ILE A 12 -1.794 -3.422 3.446 1.00 0.00 C ATOM 186 CD1 ILE A 12 -1.810 -3.718 0.424 1.00 0.00 C ATOM 0 H ILE A 12 -0.497 -7.200 2.413 1.00 0.00 H new ATOM 0 HA ILE A 12 0.510 -4.796 3.784 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.245 -5.338 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.059 -3.727 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.455 -5.302 0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.530 -2.895 2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.232 -3.672 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.924 -2.783 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.343 -3.520 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.666 -4.378 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.144 -2.779 0.865 1.00 0.00 H new ATOM 198 N THR A 13 -0.367 -5.569 5.996 1.00 0.00 N ATOM 199 CA THR A 13 -0.907 -5.936 7.293 1.00 0.00 C ATOM 200 C THR A 13 -2.020 -4.983 7.705 1.00 0.00 C ATOM 201 O THR A 13 -2.859 -5.315 8.545 1.00 0.00 O ATOM 202 CB THR A 13 0.190 -5.957 8.372 1.00 0.00 C ATOM 203 OG1 THR A 13 1.089 -4.854 8.180 1.00 0.00 O ATOM 204 CG2 THR A 13 0.962 -7.269 8.335 1.00 0.00 C ATOM 0 H THR A 13 0.498 -5.030 6.034 1.00 0.00 H new ATOM 0 HA THR A 13 -1.318 -6.941 7.202 1.00 0.00 H new ATOM 0 HB THR A 13 -0.287 -5.866 9.348 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.783 -4.874 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.732 -7.260 9.107 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.278 -8.099 8.514 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.429 -7.389 7.358 1.00 0.00 H new ATOM 212 N GLY A 14 -2.031 -3.795 7.115 1.00 0.00 N ATOM 213 CA GLY A 14 -3.082 -2.855 7.404 1.00 0.00 C ATOM 214 C GLY A 14 -2.690 -1.442 7.060 1.00 0.00 C ATOM 215 O GLY A 14 -1.967 -1.208 6.094 1.00 0.00 O ATOM 0 H GLY A 14 -1.332 -3.472 6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.976 -3.129 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.338 -2.912 8.462 1.00 0.00 H new ATOM 219 N TYR A 15 -3.150 -0.503 7.860 1.00 0.00 N ATOM 220 CA TYR A 15 -2.887 0.897 7.610 1.00 0.00 C ATOM 221 C TYR A 15 -2.222 1.507 8.829 1.00 0.00 C ATOM 222 O TYR A 15 -2.336 0.971 9.931 1.00 0.00 O ATOM 223 CB TYR A 15 -4.191 1.644 7.327 1.00 0.00 C ATOM 224 CG TYR A 15 -5.110 0.963 6.336 1.00 0.00 C ATOM 225 CD1 TYR A 15 -5.014 1.220 4.976 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.086 0.077 6.769 1.00 0.00 C ATOM 227 CE1 TYR A 15 -5.863 0.609 4.075 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.935 -0.540 5.874 1.00 0.00 C ATOM 229 CZ TYR A 15 -6.822 -0.268 4.529 1.00 0.00 C ATOM 230 OH TYR A 15 -7.671 -0.879 3.638 1.00 0.00 O ATOM 0 H TYR A 15 -3.710 -0.686 8.692 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.233 0.982 6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.728 1.778 8.266 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.950 2.639 6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.264 1.909 4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.183 -0.133 7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.775 0.818 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.685 -1.233 6.226 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.259 -0.891 2.749 1.00 0.00 H new ATOM 240 N SER A 16 -1.519 2.609 8.628 1.00 0.00 N ATOM 241 CA SER A 16 -0.977 3.376 9.729 1.00 0.00 C ATOM 242 C SER A 16 -2.112 3.845 10.639 1.00 0.00 C ATOM 243 O SER A 16 -3.141 4.313 10.156 1.00 0.00 O ATOM 244 CB SER A 16 -0.202 4.568 9.177 1.00 0.00 C ATOM 245 OG SER A 16 0.786 4.146 8.249 1.00 0.00 O ATOM 0 H SER A 16 -1.311 2.991 7.706 1.00 0.00 H new ATOM 0 HA SER A 16 -0.300 2.755 10.315 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.890 5.260 8.692 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.271 5.110 9.996 1.00 0.00 H new ATOM 0 HG SER A 16 1.092 4.915 7.724 1.00 0.00 H new ATOM 251 N PRO A 17 -1.934 3.709 11.963 1.00 0.00 N ATOM 252 CA PRO A 17 -2.984 3.976 12.961 1.00 0.00 C ATOM 253 C PRO A 17 -3.725 5.306 12.773 1.00 0.00 C ATOM 254 O PRO A 17 -4.903 5.416 13.119 1.00 0.00 O ATOM 255 CB PRO A 17 -2.210 3.988 14.278 1.00 0.00 C ATOM 256 CG PRO A 17 -1.062 3.076 14.041 1.00 0.00 C ATOM 257 CD PRO A 17 -0.677 3.266 12.599 1.00 0.00 C ATOM 0 HA PRO A 17 -3.776 3.230 12.894 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.873 4.993 14.532 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.829 3.641 15.106 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.230 3.316 14.703 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.338 2.040 14.239 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.112 4.009 12.489 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.308 2.341 12.157 1.00 0.00 H new ATOM 265 N ALA A 18 -3.047 6.306 12.218 1.00 0.00 N ATOM 266 CA ALA A 18 -3.617 7.644 12.100 1.00 0.00 C ATOM 267 C ALA A 18 -4.419 7.840 10.815 1.00 0.00 C ATOM 268 O ALA A 18 -4.785 8.970 10.482 1.00 0.00 O ATOM 269 CB ALA A 18 -2.521 8.689 12.184 1.00 0.00 C ATOM 0 H ALA A 18 -2.103 6.215 11.843 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.311 7.762 12.932 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.959 9.683 12.095 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.009 8.603 13.142 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.807 8.533 11.375 1.00 0.00 H new ATOM 275 N ILE A 19 -4.689 6.770 10.084 1.00 0.00 N ATOM 276 CA ILE A 19 -5.513 6.883 8.889 1.00 0.00 C ATOM 277 C ILE A 19 -6.988 6.988 9.279 1.00 0.00 C ATOM 278 O ILE A 19 -7.571 6.063 9.847 1.00 0.00 O ATOM 279 CB ILE A 19 -5.286 5.713 7.901 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.067 5.949 6.605 1.00 0.00 C ATOM 281 CG2 ILE A 19 -5.673 4.377 8.525 1.00 0.00 C ATOM 282 CD1 ILE A 19 -5.793 4.916 5.534 1.00 0.00 C ATOM 0 H ILE A 19 -4.357 5.828 10.291 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.213 7.793 8.369 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.222 5.674 7.666 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.134 5.953 6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.819 6.937 6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.502 3.576 7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.067 4.202 9.414 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.727 4.397 8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.381 5.148 4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.733 4.927 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.068 3.928 5.903 1.00 0.00 H new ATOM 294 N SER A 20 -7.585 8.133 8.987 1.00 0.00 N ATOM 295 CA SER A 20 -8.941 8.434 9.441 1.00 0.00 C ATOM 296 C SER A 20 -9.508 9.631 8.694 1.00 0.00 C ATOM 297 O SER A 20 -9.199 10.779 9.022 1.00 0.00 O ATOM 298 CB SER A 20 -8.958 8.729 10.944 1.00 0.00 C ATOM 299 OG SER A 20 -8.518 7.619 11.716 1.00 0.00 O ATOM 0 H SER A 20 -7.153 8.874 8.436 1.00 0.00 H new ATOM 0 HA SER A 20 -9.557 7.558 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.320 9.588 11.151 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.969 9.002 11.247 1.00 0.00 H new ATOM 0 HG SER A 20 -8.448 6.828 11.142 1.00 0.00 H new ATOM 305 N ASN A 21 -10.322 9.344 7.684 1.00 0.00 N ATOM 306 CA ASN A 21 -10.994 10.376 6.892 1.00 0.00 C ATOM 307 C ASN A 21 -11.668 9.719 5.700 1.00 0.00 C ATOM 308 O ASN A 21 -11.763 10.294 4.622 1.00 0.00 O ATOM 309 CB ASN A 21 -10.001 11.437 6.399 1.00 0.00 C ATOM 310 CG ASN A 21 -10.671 12.772 6.137 1.00 0.00 C ATOM 311 OD1 ASN A 21 -10.805 13.593 7.046 1.00 0.00 O ATOM 312 ND2 ASN A 21 -11.099 12.998 4.908 1.00 0.00 N ATOM 0 H ASN A 21 -10.537 8.391 7.389 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.732 10.873 7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.213 11.567 7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.523 11.087 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.560 13.879 4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.968 12.291 4.184 1.00 0.00 H new ATOM 319 N GLY A 22 -12.135 8.494 5.909 1.00 0.00 N ATOM 320 CA GLY A 22 -12.665 7.701 4.819 1.00 0.00 C ATOM 321 C GLY A 22 -11.571 7.180 3.906 1.00 0.00 C ATOM 322 O GLY A 22 -11.846 6.446 2.958 1.00 0.00 O ATOM 0 H GLY A 22 -12.155 8.035 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.229 6.861 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.364 8.304 4.239 1.00 0.00 H new ATOM 326 N TYR A 23 -10.322 7.535 4.213 1.00 0.00 N ATOM 327 CA TYR A 23 -9.184 7.185 3.370 1.00 0.00 C ATOM 328 C TYR A 23 -9.042 5.671 3.241 1.00 0.00 C ATOM 329 O TYR A 23 -8.625 5.165 2.202 1.00 0.00 O ATOM 330 CB TYR A 23 -7.897 7.797 3.931 1.00 0.00 C ATOM 331 CG TYR A 23 -6.857 8.093 2.866 1.00 0.00 C ATOM 332 CD1 TYR A 23 -6.980 9.214 2.058 1.00 0.00 C ATOM 333 CD2 TYR A 23 -5.757 7.264 2.671 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.040 9.505 1.090 1.00 0.00 C ATOM 335 CE2 TYR A 23 -4.811 7.549 1.700 1.00 0.00 C ATOM 336 CZ TYR A 23 -4.957 8.671 0.914 1.00 0.00 C ATOM 337 OH TYR A 23 -4.014 8.974 -0.046 1.00 0.00 O ATOM 0 H TYR A 23 -10.075 8.069 5.046 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.361 7.593 2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.141 8.720 4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.470 7.115 4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.827 9.871 2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.639 6.384 3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.153 10.384 0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.963 6.895 1.560 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.661 8.145 -0.431 1.00 0.00 H new ATOM 347 N ARG A 24 -9.417 4.953 4.296 1.00 0.00 N ATOM 348 CA ARG A 24 -9.410 3.503 4.282 1.00 0.00 C ATOM 349 C ARG A 24 -10.370 2.971 3.232 1.00 0.00 C ATOM 350 O ARG A 24 -10.052 2.032 2.514 1.00 0.00 O ATOM 351 CB ARG A 24 -9.813 2.973 5.652 1.00 0.00 C ATOM 352 CG ARG A 24 -8.703 2.997 6.688 1.00 0.00 C ATOM 353 CD ARG A 24 -9.151 2.341 7.984 1.00 0.00 C ATOM 354 NE ARG A 24 -9.750 1.029 7.741 1.00 0.00 N ATOM 355 CZ ARG A 24 -9.453 -0.072 8.429 1.00 0.00 C ATOM 356 NH1 ARG A 24 -8.618 -0.022 9.462 1.00 0.00 N ATOM 357 NH2 ARG A 24 -10.025 -1.222 8.101 1.00 0.00 N ATOM 0 H ARG A 24 -9.731 5.361 5.176 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.402 3.166 4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.652 3.562 6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.167 1.948 5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.826 2.479 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.405 4.027 6.882 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.297 2.234 8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.873 2.984 8.488 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.441 0.952 6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.197 0.866 9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.398 -0.872 9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.688 -1.259 7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.803 -2.069 8.623 1.00 0.00 H new ATOM 371 N GLN A 25 -11.539 3.585 3.141 1.00 0.00 N ATOM 372 CA GLN A 25 -12.551 3.171 2.193 1.00 0.00 C ATOM 373 C GLN A 25 -12.090 3.454 0.772 1.00 0.00 C ATOM 374 O GLN A 25 -12.388 2.697 -0.154 1.00 0.00 O ATOM 375 CB GLN A 25 -13.852 3.906 2.491 1.00 0.00 C ATOM 376 CG GLN A 25 -14.436 3.588 3.859 1.00 0.00 C ATOM 377 CD GLN A 25 -15.547 4.537 4.261 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.470 4.164 4.985 1.00 0.00 O ATOM 379 NE2 GLN A 25 -15.473 5.769 3.788 1.00 0.00 N ATOM 0 H GLN A 25 -11.808 4.380 3.721 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.718 2.098 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.676 4.980 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.585 3.653 1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.820 2.568 3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.643 3.628 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.692 6.040 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.197 6.449 4.020 1.00 0.00 H new ATOM 388 N ARG A 26 -11.355 4.546 0.611 1.00 0.00 N ATOM 389 CA ARG A 26 -10.778 4.889 -0.677 1.00 0.00 C ATOM 390 C ARG A 26 -9.763 3.831 -1.091 1.00 0.00 C ATOM 391 O ARG A 26 -9.730 3.392 -2.241 1.00 0.00 O ATOM 392 CB ARG A 26 -10.096 6.257 -0.618 1.00 0.00 C ATOM 393 CG ARG A 26 -9.767 6.809 -1.991 1.00 0.00 C ATOM 394 CD ARG A 26 -11.037 7.074 -2.771 1.00 0.00 C ATOM 395 NE ARG A 26 -10.806 7.158 -4.207 1.00 0.00 N ATOM 396 CZ ARG A 26 -11.753 7.464 -5.085 1.00 0.00 C ATOM 397 NH1 ARG A 26 -12.965 7.815 -4.665 1.00 0.00 N ATOM 398 NH2 ARG A 26 -11.484 7.431 -6.380 1.00 0.00 N ATOM 0 H ARG A 26 -11.145 5.208 1.358 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.582 4.930 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.745 6.959 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.179 6.176 -0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.195 7.731 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.140 6.102 -2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.756 6.280 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.485 8.005 -2.424 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.866 6.972 -4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.168 7.850 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.691 8.050 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.551 7.171 -6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.209 7.666 -7.058 1.00 0.00 H new ATOM 412 N LEU A 27 -8.952 3.412 -0.131 1.00 0.00 N ATOM 413 CA LEU A 27 -7.933 2.405 -0.366 1.00 0.00 C ATOM 414 C LEU A 27 -8.573 1.040 -0.590 1.00 0.00 C ATOM 415 O LEU A 27 -8.133 0.268 -1.443 1.00 0.00 O ATOM 416 CB LEU A 27 -6.958 2.371 0.814 1.00 0.00 C ATOM 417 CG LEU A 27 -6.113 3.638 0.981 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.217 3.529 2.201 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.282 3.893 -0.266 1.00 0.00 C ATOM 0 H LEU A 27 -8.983 3.760 0.827 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.377 2.662 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.524 2.204 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.290 1.518 0.692 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.788 4.481 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.626 4.439 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.830 3.395 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.550 2.674 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.688 4.797 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.618 3.046 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.942 4.019 -1.124 1.00 0.00 H new ATOM 431 N PHE A 28 -9.635 0.767 0.159 1.00 0.00 N ATOM 432 CA PHE A 28 -10.406 -0.448 0.007 1.00 0.00 C ATOM 433 C PHE A 28 -10.978 -0.554 -1.405 1.00 0.00 C ATOM 434 O PHE A 28 -10.980 -1.627 -2.007 1.00 0.00 O ATOM 435 CB PHE A 28 -11.535 -0.440 1.031 1.00 0.00 C ATOM 436 CG PHE A 28 -11.342 -1.394 2.172 1.00 0.00 C ATOM 437 CD1 PHE A 28 -11.598 -2.746 2.014 1.00 0.00 C ATOM 438 CD2 PHE A 28 -10.915 -0.934 3.408 1.00 0.00 C ATOM 439 CE1 PHE A 28 -11.428 -3.624 3.067 1.00 0.00 C ATOM 440 CE2 PHE A 28 -10.741 -1.807 4.464 1.00 0.00 C ATOM 441 CZ PHE A 28 -10.999 -3.154 4.293 1.00 0.00 C ATOM 0 H PHE A 28 -9.982 1.388 0.890 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.759 -1.310 0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.640 0.569 1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.470 -0.682 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.934 -3.118 1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.716 0.118 3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.630 -4.676 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.404 -1.438 5.421 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.865 -3.839 5.117 1.00 0.00 H new ATOM 451 N SER A 29 -11.446 0.575 -1.929 1.00 0.00 N ATOM 452 CA SER A 29 -12.009 0.633 -3.272 1.00 0.00 C ATOM 453 C SER A 29 -10.928 0.397 -4.325 1.00 0.00 C ATOM 454 O SER A 29 -11.183 -0.181 -5.383 1.00 0.00 O ATOM 455 CB SER A 29 -12.666 1.992 -3.497 1.00 0.00 C ATOM 456 OG SER A 29 -13.692 2.228 -2.544 1.00 0.00 O ATOM 0 H SER A 29 -11.446 1.469 -1.438 1.00 0.00 H new ATOM 0 HA SER A 29 -12.758 -0.153 -3.368 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.914 2.778 -3.429 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.083 2.036 -4.503 1.00 0.00 H new ATOM 0 HG SER A 29 -13.290 2.448 -1.678 1.00 0.00 H new ATOM 462 N MET A 30 -9.718 0.849 -4.024 1.00 0.00 N ATOM 463 CA MET A 30 -8.585 0.662 -4.921 1.00 0.00 C ATOM 464 C MET A 30 -8.109 -0.786 -4.900 1.00 0.00 C ATOM 465 O MET A 30 -7.493 -1.264 -5.854 1.00 0.00 O ATOM 466 CB MET A 30 -7.440 1.603 -4.539 1.00 0.00 C ATOM 467 CG MET A 30 -7.735 3.081 -4.777 1.00 0.00 C ATOM 468 SD MET A 30 -7.753 3.545 -6.524 1.00 0.00 S ATOM 469 CE MET A 30 -9.320 2.875 -7.079 1.00 0.00 C ATOM 0 H MET A 30 -9.495 1.349 -3.163 1.00 0.00 H new ATOM 0 HA MET A 30 -8.911 0.900 -5.934 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.202 1.457 -3.485 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.552 1.326 -5.108 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.701 3.326 -4.335 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.986 3.680 -4.259 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.827 3.608 -7.706 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.144 1.966 -7.653 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.943 2.643 -6.215 1.00 0.00 H new ATOM 479 N GLY A 31 -8.415 -1.484 -3.812 1.00 0.00 N ATOM 480 CA GLY A 31 -8.026 -2.873 -3.686 1.00 0.00 C ATOM 481 C GLY A 31 -6.930 -3.073 -2.661 1.00 0.00 C ATOM 482 O GLY A 31 -6.325 -4.144 -2.588 1.00 0.00 O ATOM 0 H GLY A 31 -8.927 -1.110 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.896 -3.467 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.687 -3.242 -4.654 1.00 0.00 H new ATOM 486 N LEU A 32 -6.677 -2.045 -1.865 1.00 0.00 N ATOM 487 CA LEU A 32 -5.636 -2.101 -0.851 1.00 0.00 C ATOM 488 C LEU A 32 -6.248 -2.348 0.523 1.00 0.00 C ATOM 489 O LEU A 32 -6.701 -1.417 1.190 1.00 0.00 O ATOM 490 CB LEU A 32 -4.826 -0.802 -0.844 1.00 0.00 C ATOM 491 CG LEU A 32 -4.174 -0.432 -2.180 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.465 0.907 -2.072 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.200 -1.515 -2.622 1.00 0.00 C ATOM 0 H LEU A 32 -7.181 -1.159 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.966 -2.927 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.481 0.014 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.046 -0.883 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.959 -0.350 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.007 1.155 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.185 1.680 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.693 0.849 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.748 -1.232 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.420 -1.631 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.734 -2.458 -2.740 1.00 0.00 H new ATOM 505 N LEU A 33 -6.280 -3.607 0.931 1.00 0.00 N ATOM 506 CA LEU A 33 -6.874 -3.983 2.198 1.00 0.00 C ATOM 507 C LEU A 33 -5.924 -4.883 2.981 1.00 0.00 C ATOM 508 O LEU A 33 -5.065 -5.548 2.390 1.00 0.00 O ATOM 509 CB LEU A 33 -8.216 -4.697 1.976 1.00 0.00 C ATOM 510 CG LEU A 33 -8.158 -6.038 1.231 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.398 -6.861 1.537 1.00 0.00 C ATOM 512 CD2 LEU A 33 -8.041 -5.825 -0.269 1.00 0.00 C ATOM 0 H LEU A 33 -5.898 -4.388 0.397 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.056 -3.076 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.679 -4.866 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.873 -4.026 1.422 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.274 -6.575 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.346 -7.810 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.454 -7.050 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.285 -6.314 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.002 -6.791 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.906 -5.265 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.131 -5.265 -0.487 1.00 0.00 H new ATOM 524 N PRO A 34 -6.049 -4.903 4.319 1.00 0.00 N ATOM 525 CA PRO A 34 -5.224 -5.758 5.180 1.00 0.00 C ATOM 526 C PRO A 34 -5.433 -7.237 4.873 1.00 0.00 C ATOM 527 O PRO A 34 -6.544 -7.756 4.992 1.00 0.00 O ATOM 528 CB PRO A 34 -5.707 -5.431 6.598 1.00 0.00 C ATOM 529 CG PRO A 34 -6.417 -4.124 6.476 1.00 0.00 C ATOM 530 CD PRO A 34 -7.006 -4.103 5.099 1.00 0.00 C ATOM 0 HA PRO A 34 -4.159 -5.575 5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.372 -6.207 6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.870 -5.362 7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.194 -4.029 7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.729 -3.291 6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.005 -4.538 5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.093 -3.088 4.712 1.00 0.00 H new ATOM 538 N GLY A 35 -4.365 -7.909 4.476 1.00 0.00 N ATOM 539 CA GLY A 35 -4.464 -9.305 4.104 1.00 0.00 C ATOM 540 C GLY A 35 -4.115 -9.530 2.648 1.00 0.00 C ATOM 541 O GLY A 35 -4.026 -10.672 2.192 1.00 0.00 O ATOM 0 H GLY A 35 -3.428 -7.512 4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.797 -9.896 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.477 -9.660 4.293 1.00 0.00 H new ATOM 545 N ALA A 36 -3.924 -8.441 1.915 1.00 0.00 N ATOM 546 CA ALA A 36 -3.558 -8.518 0.518 1.00 0.00 C ATOM 547 C ALA A 36 -2.047 -8.437 0.366 1.00 0.00 C ATOM 548 O ALA A 36 -1.307 -8.455 1.354 1.00 0.00 O ATOM 549 CB ALA A 36 -4.237 -7.406 -0.269 1.00 0.00 C ATOM 0 H ALA A 36 -4.019 -7.491 2.273 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.895 -9.475 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.952 -7.477 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.319 -7.505 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.927 -6.439 0.127 1.00 0.00 H new ATOM 555 N ALA A 37 -1.607 -8.331 -0.871 1.00 0.00 N ATOM 556 CA ALA A 37 -0.186 -8.307 -1.191 1.00 0.00 C ATOM 557 C ALA A 37 0.056 -7.594 -2.514 1.00 0.00 C ATOM 558 O ALA A 37 -0.786 -7.633 -3.411 1.00 0.00 O ATOM 559 CB ALA A 37 0.373 -9.722 -1.241 1.00 0.00 C ATOM 0 H ALA A 37 -2.219 -8.259 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 37 0.331 -7.757 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.436 -9.685 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.237 -10.202 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.152 -10.294 -2.006 1.00 0.00 H new ATOM 565 N LEU A 38 1.201 -6.938 -2.617 1.00 0.00 N ATOM 566 CA LEU A 38 1.592 -6.232 -3.827 1.00 0.00 C ATOM 567 C LEU A 38 2.958 -6.723 -4.278 1.00 0.00 C ATOM 568 O LEU A 38 3.886 -6.830 -3.474 1.00 0.00 O ATOM 569 CB LEU A 38 1.664 -4.725 -3.570 1.00 0.00 C ATOM 570 CG LEU A 38 0.440 -4.106 -2.888 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.707 -2.653 -2.530 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.784 -4.214 -3.785 1.00 0.00 C ATOM 0 H LEU A 38 1.886 -6.880 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 38 0.848 -6.426 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.541 -4.522 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.819 -4.220 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 38 0.244 -4.659 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.173 -2.230 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.557 -2.596 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.929 -2.090 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.643 -3.769 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.597 -3.687 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.990 -5.264 -3.995 1.00 0.00 H new ATOM 584 N ARG A 39 3.084 -7.026 -5.554 1.00 0.00 N ATOM 585 CA ARG A 39 4.356 -7.475 -6.098 1.00 0.00 C ATOM 586 C ARG A 39 5.060 -6.298 -6.757 1.00 0.00 C ATOM 587 O ARG A 39 4.493 -5.647 -7.635 1.00 0.00 O ATOM 588 CB ARG A 39 4.145 -8.601 -7.111 1.00 0.00 C ATOM 589 CG ARG A 39 5.401 -9.417 -7.385 1.00 0.00 C ATOM 590 CD ARG A 39 5.185 -10.406 -8.517 1.00 0.00 C ATOM 591 NE ARG A 39 5.163 -9.742 -9.819 1.00 0.00 N ATOM 592 CZ ARG A 39 4.513 -10.200 -10.888 1.00 0.00 C ATOM 593 NH1 ARG A 39 3.765 -11.293 -10.807 1.00 0.00 N ATOM 594 NH2 ARG A 39 4.606 -9.555 -12.042 1.00 0.00 N ATOM 0 H ARG A 39 2.326 -6.971 -6.234 1.00 0.00 H new ATOM 0 HA ARG A 39 4.973 -7.863 -5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.362 -9.266 -6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.788 -8.173 -8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.223 -8.748 -7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.692 -9.954 -6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.978 -11.154 -8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.245 -10.936 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 39 5.681 -8.868 -9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.684 -11.791 -9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.271 -11.635 -11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.174 -8.711 -12.110 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.110 -9.903 -12.862 1.00 0.00 H new ATOM 608 N VAL A 40 6.283 -6.017 -6.333 1.00 0.00 N ATOM 609 CA VAL A 40 6.997 -4.844 -6.823 1.00 0.00 C ATOM 610 C VAL A 40 7.384 -5.000 -8.298 1.00 0.00 C ATOM 611 O VAL A 40 7.990 -6.000 -8.702 1.00 0.00 O ATOM 612 CB VAL A 40 8.250 -4.532 -5.964 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.328 -5.585 -6.134 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.786 -3.145 -6.287 1.00 0.00 C ATOM 0 H VAL A 40 6.800 -6.579 -5.656 1.00 0.00 H new ATOM 0 HA VAL A 40 6.313 -3.999 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 40 7.946 -4.551 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.188 -5.328 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.939 -6.557 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.633 -5.628 -7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.665 -2.943 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.059 -3.097 -7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.018 -2.400 -6.077 1.00 0.00 H new ATOM 624 N VAL A 41 6.989 -4.019 -9.098 1.00 0.00 N ATOM 625 CA VAL A 41 7.328 -3.986 -10.512 1.00 0.00 C ATOM 626 C VAL A 41 8.544 -3.092 -10.746 1.00 0.00 C ATOM 627 O VAL A 41 9.458 -3.454 -11.489 1.00 0.00 O ATOM 628 CB VAL A 41 6.146 -3.474 -11.368 1.00 0.00 C ATOM 629 CG1 VAL A 41 6.519 -3.440 -12.844 1.00 0.00 C ATOM 630 CG2 VAL A 41 4.917 -4.342 -11.148 1.00 0.00 C ATOM 0 H VAL A 41 6.427 -3.227 -8.786 1.00 0.00 H new ATOM 0 HA VAL A 41 7.558 -5.007 -10.815 1.00 0.00 H new ATOM 0 HB VAL A 41 5.913 -2.456 -11.054 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.672 -3.077 -13.425 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.370 -2.775 -12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.783 -4.444 -13.176 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.094 -3.969 -11.757 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.142 -5.370 -11.432 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.633 -4.311 -10.096 1.00 0.00 H new ATOM 640 N ARG A 42 8.554 -1.920 -10.111 1.00 0.00 N ATOM 641 CA ARG A 42 9.696 -1.015 -10.208 1.00 0.00 C ATOM 642 C ARG A 42 9.642 0.071 -9.140 1.00 0.00 C ATOM 643 O ARG A 42 8.589 0.660 -8.890 1.00 0.00 O ATOM 644 CB ARG A 42 9.759 -0.365 -11.593 1.00 0.00 C ATOM 645 CG ARG A 42 10.997 0.495 -11.789 1.00 0.00 C ATOM 646 CD ARG A 42 11.018 1.165 -13.150 1.00 0.00 C ATOM 647 NE ARG A 42 12.268 1.881 -13.373 1.00 0.00 N ATOM 648 CZ ARG A 42 12.528 2.615 -14.454 1.00 0.00 C ATOM 649 NH1 ARG A 42 11.608 2.787 -15.392 1.00 0.00 N ATOM 650 NH2 ARG A 42 13.719 3.179 -14.591 1.00 0.00 N ATOM 0 H ARG A 42 7.790 -1.578 -9.528 1.00 0.00 H new ATOM 0 HA ARG A 42 10.593 -1.613 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.740 -1.144 -12.355 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.870 0.248 -11.741 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.036 1.257 -11.010 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.888 -0.122 -11.676 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.884 0.414 -13.929 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.181 1.859 -13.228 1.00 0.00 H new ATOM 0 HE ARG A 42 12.990 1.816 -12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.689 2.355 -15.291 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.818 3.351 -16.215 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.430 3.050 -13.871 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.925 3.742 -15.416 1.00 0.00 H new ATOM 664 N ILE A 43 10.784 0.322 -8.509 1.00 0.00 N ATOM 665 CA ILE A 43 10.920 1.434 -7.580 1.00 0.00 C ATOM 666 C ILE A 43 11.396 2.662 -8.348 1.00 0.00 C ATOM 667 O ILE A 43 12.367 2.583 -9.104 1.00 0.00 O ATOM 668 CB ILE A 43 11.927 1.139 -6.433 1.00 0.00 C ATOM 669 CG1 ILE A 43 11.530 -0.116 -5.643 1.00 0.00 C ATOM 670 CG2 ILE A 43 12.032 2.333 -5.495 1.00 0.00 C ATOM 671 CD1 ILE A 43 11.977 -1.415 -6.285 1.00 0.00 C ATOM 0 H ILE A 43 11.631 -0.233 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 43 9.944 1.601 -7.125 1.00 0.00 H new ATOM 0 HB ILE A 43 12.900 0.957 -6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.955 -0.052 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.446 -0.133 -5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.741 2.109 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.376 3.204 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.054 2.542 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.659 -2.255 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.531 -1.504 -7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.063 -1.422 -6.375 1.00 0.00 H new ATOM 683 N ALA A 44 10.710 3.783 -8.175 1.00 0.00 N ATOM 684 CA ALA A 44 11.083 5.011 -8.863 1.00 0.00 C ATOM 685 C ALA A 44 12.457 5.486 -8.396 1.00 0.00 C ATOM 686 O ALA A 44 12.720 5.563 -7.196 1.00 0.00 O ATOM 687 CB ALA A 44 10.040 6.096 -8.636 1.00 0.00 C ATOM 0 H ALA A 44 9.896 3.868 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 44 11.131 4.803 -9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.340 7.004 -9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.076 5.759 -9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.956 6.303 -7.569 1.00 0.00 H new ATOM 693 N PRO A 45 13.345 5.815 -9.347 1.00 0.00 N ATOM 694 CA PRO A 45 14.726 6.233 -9.052 1.00 0.00 C ATOM 695 C PRO A 45 14.800 7.467 -8.147 1.00 0.00 C ATOM 696 O PRO A 45 15.832 7.736 -7.533 1.00 0.00 O ATOM 697 CB PRO A 45 15.303 6.561 -10.433 1.00 0.00 C ATOM 698 CG PRO A 45 14.456 5.803 -11.393 1.00 0.00 C ATOM 699 CD PRO A 45 13.079 5.787 -10.796 1.00 0.00 C ATOM 0 HA PRO A 45 15.268 5.456 -8.512 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.265 7.632 -10.633 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.348 6.260 -10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.452 6.280 -12.373 1.00 0.00 H new ATOM 0 HG3 PRO A 45 14.834 4.790 -11.533 1.00 0.00 H new ATOM 0 HD2 PRO A 45 12.491 6.648 -11.115 1.00 0.00 H new ATOM 0 HD3 PRO A 45 12.523 4.896 -11.087 1.00 0.00 H new ATOM 707 N LEU A 46 13.703 8.204 -8.066 1.00 0.00 N ATOM 708 CA LEU A 46 13.661 9.432 -7.280 1.00 0.00 C ATOM 709 C LEU A 46 13.267 9.151 -5.830 1.00 0.00 C ATOM 710 O LEU A 46 13.542 9.953 -4.942 1.00 0.00 O ATOM 711 CB LEU A 46 12.678 10.443 -7.895 1.00 0.00 C ATOM 712 CG LEU A 46 13.055 11.011 -9.275 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.493 11.503 -9.282 1.00 0.00 C ATOM 714 CD2 LEU A 46 12.828 9.983 -10.377 1.00 0.00 C ATOM 0 H LEU A 46 12.827 7.974 -8.535 1.00 0.00 H new ATOM 0 HA LEU A 46 14.664 9.858 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.702 9.964 -7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.566 11.276 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 46 12.403 11.861 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.737 11.900 -10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.613 12.288 -8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.162 10.675 -9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.103 10.414 -11.339 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.441 9.103 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.777 9.696 -10.396 1.00 0.00 H new ATOM 726 N GLY A 47 12.637 8.007 -5.598 1.00 0.00 N ATOM 727 CA GLY A 47 12.100 7.707 -4.281 1.00 0.00 C ATOM 728 C GLY A 47 10.604 7.940 -4.233 1.00 0.00 C ATOM 729 O GLY A 47 9.923 7.521 -3.292 1.00 0.00 O ATOM 0 H GLY A 47 12.487 7.280 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.318 6.670 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.592 8.330 -3.534 1.00 0.00 H new ATOM 733 N ASP A 48 10.109 8.623 -5.260 1.00 0.00 N ATOM 734 CA ASP A 48 8.677 8.816 -5.475 1.00 0.00 C ATOM 735 C ASP A 48 7.984 7.474 -5.702 1.00 0.00 C ATOM 736 O ASP A 48 8.668 6.460 -5.837 1.00 0.00 O ATOM 737 CB ASP A 48 8.445 9.779 -6.648 1.00 0.00 C ATOM 738 CG ASP A 48 8.196 11.201 -6.178 1.00 0.00 C ATOM 739 OD1 ASP A 48 9.179 11.941 -5.964 1.00 0.00 O ATOM 740 OD2 ASP A 48 7.013 11.584 -6.017 1.00 0.00 O ATOM 0 H ASP A 48 10.693 9.062 -5.972 1.00 0.00 H new ATOM 0 HA ASP A 48 8.239 9.263 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.313 9.762 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.592 9.437 -7.234 1.00 0.00 H new ATOM 745 N PRO A 49 6.623 7.457 -5.694 1.00 0.00 N ATOM 746 CA PRO A 49 5.791 6.252 -5.702 1.00 0.00 C ATOM 747 C PRO A 49 6.393 5.025 -6.386 1.00 0.00 C ATOM 748 O PRO A 49 7.128 5.109 -7.370 1.00 0.00 O ATOM 749 CB PRO A 49 4.540 6.697 -6.468 1.00 0.00 C ATOM 750 CG PRO A 49 4.633 8.188 -6.599 1.00 0.00 C ATOM 751 CD PRO A 49 5.750 8.629 -5.696 1.00 0.00 C ATOM 0 HA PRO A 49 5.632 5.914 -4.678 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.496 6.223 -7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.634 6.410 -5.934 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.833 8.475 -7.631 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.694 8.661 -6.313 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.258 9.515 -6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.393 8.873 -4.695 1.00 0.00 H new ATOM 759 N ILE A 50 5.960 3.880 -5.903 1.00 0.00 N ATOM 760 CA ILE A 50 6.518 2.608 -6.315 1.00 0.00 C ATOM 761 C ILE A 50 5.497 1.842 -7.133 1.00 0.00 C ATOM 762 O ILE A 50 4.326 1.765 -6.757 1.00 0.00 O ATOM 763 CB ILE A 50 6.945 1.759 -5.094 1.00 0.00 C ATOM 764 CG1 ILE A 50 7.930 2.540 -4.221 1.00 0.00 C ATOM 765 CG2 ILE A 50 7.561 0.440 -5.543 1.00 0.00 C ATOM 766 CD1 ILE A 50 8.363 1.797 -2.975 1.00 0.00 C ATOM 0 H ILE A 50 5.212 3.804 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 50 7.403 2.807 -6.919 1.00 0.00 H new ATOM 0 HB ILE A 50 6.057 1.537 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.812 2.783 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.472 3.485 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.854 -0.141 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.831 -0.123 -6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.439 0.639 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.060 2.413 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.490 1.577 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.851 0.865 -3.259 1.00 0.00 H new ATOM 778 N GLN A 51 5.938 1.295 -8.252 1.00 0.00 N ATOM 779 CA GLN A 51 5.070 0.552 -9.133 1.00 0.00 C ATOM 780 C GLN A 51 4.961 -0.890 -8.672 1.00 0.00 C ATOM 781 O GLN A 51 5.962 -1.601 -8.600 1.00 0.00 O ATOM 782 CB GLN A 51 5.614 0.611 -10.559 1.00 0.00 C ATOM 783 CG GLN A 51 5.663 2.020 -11.130 1.00 0.00 C ATOM 784 CD GLN A 51 6.016 2.060 -12.604 1.00 0.00 C ATOM 785 OE1 GLN A 51 6.723 1.192 -13.115 1.00 0.00 O ATOM 786 NE2 GLN A 51 5.516 3.070 -13.296 1.00 0.00 N ATOM 0 H GLN A 51 6.905 1.356 -8.570 1.00 0.00 H new ATOM 0 HA GLN A 51 4.075 0.997 -9.111 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.617 0.186 -10.575 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.993 -0.012 -11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.694 2.498 -10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.395 2.605 -10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.934 3.768 -12.832 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.712 3.151 -14.294 1.00 0.00 H new ATOM 795 N VAL A 52 3.748 -1.301 -8.341 1.00 0.00 N ATOM 796 CA VAL A 52 3.471 -2.666 -7.913 1.00 0.00 C ATOM 797 C VAL A 52 2.312 -3.243 -8.719 1.00 0.00 C ATOM 798 O VAL A 52 1.607 -2.508 -9.407 1.00 0.00 O ATOM 799 CB VAL A 52 3.126 -2.737 -6.409 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.315 -2.316 -5.561 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.909 -1.876 -6.091 1.00 0.00 C ATOM 0 H VAL A 52 2.925 -0.698 -8.361 1.00 0.00 H new ATOM 0 HA VAL A 52 4.375 -3.250 -8.086 1.00 0.00 H new ATOM 0 HB VAL A 52 2.884 -3.772 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.048 -2.374 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.157 -2.980 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.594 -1.292 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.685 -1.942 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.118 -0.839 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.053 -2.231 -6.665 1.00 0.00 H new ATOM 811 N GLU A 53 2.114 -4.550 -8.632 1.00 0.00 N ATOM 812 CA GLU A 53 1.066 -5.215 -9.397 1.00 0.00 C ATOM 813 C GLU A 53 0.220 -6.085 -8.477 1.00 0.00 C ATOM 814 O GLU A 53 0.704 -6.584 -7.457 1.00 0.00 O ATOM 815 CB GLU A 53 1.683 -6.061 -10.521 1.00 0.00 C ATOM 816 CG GLU A 53 0.921 -5.999 -11.842 1.00 0.00 C ATOM 817 CD GLU A 53 -0.402 -6.748 -11.826 1.00 0.00 C ATOM 818 OE1 GLU A 53 -1.434 -6.149 -11.451 1.00 0.00 O ATOM 819 OE2 GLU A 53 -0.415 -7.937 -12.211 1.00 0.00 O ATOM 0 H GLU A 53 2.664 -5.172 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 53 0.424 -4.458 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.707 -5.729 -10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.734 -7.099 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.733 -4.955 -12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.550 -6.409 -12.632 1.00 0.00 H new ATOM 826 N THR A 54 -1.039 -6.257 -8.843 1.00 0.00 N ATOM 827 CA THR A 54 -1.976 -7.042 -8.065 1.00 0.00 C ATOM 828 C THR A 54 -2.503 -8.217 -8.884 1.00 0.00 C ATOM 829 O THR A 54 -2.248 -9.382 -8.568 1.00 0.00 O ATOM 830 CB THR A 54 -3.160 -6.171 -7.598 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.673 -5.401 -8.698 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.738 -5.239 -6.473 1.00 0.00 C ATOM 0 H THR A 54 -1.439 -5.854 -9.691 1.00 0.00 H new ATOM 0 HA THR A 54 -1.447 -7.424 -7.191 1.00 0.00 H new ATOM 0 HB THR A 54 -3.941 -6.834 -7.225 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.425 -4.853 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.591 -4.636 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.381 -5.827 -5.628 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.939 -4.585 -6.823 1.00 0.00 H new ATOM 840 N ARG A 55 -3.221 -7.892 -9.953 1.00 0.00 N ATOM 841 CA ARG A 55 -3.854 -8.896 -10.798 1.00 0.00 C ATOM 842 C ARG A 55 -4.369 -8.261 -12.096 1.00 0.00 C ATOM 843 O ARG A 55 -5.195 -8.842 -12.797 1.00 0.00 O ATOM 844 CB ARG A 55 -5.026 -9.536 -10.036 1.00 0.00 C ATOM 845 CG ARG A 55 -5.566 -10.812 -10.661 1.00 0.00 C ATOM 846 CD ARG A 55 -6.863 -11.243 -9.997 1.00 0.00 C ATOM 847 NE ARG A 55 -7.950 -10.295 -10.257 1.00 0.00 N ATOM 848 CZ ARG A 55 -8.725 -9.764 -9.310 1.00 0.00 C ATOM 849 NH1 ARG A 55 -8.534 -10.071 -8.034 1.00 0.00 N ATOM 850 NH2 ARG A 55 -9.688 -8.909 -9.642 1.00 0.00 N ATOM 0 H ARG A 55 -3.380 -6.931 -10.256 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.118 -9.658 -11.053 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.704 -9.754 -9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.836 -8.810 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.734 -10.655 -11.726 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.826 -11.607 -10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.147 -12.230 -10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.708 -11.332 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.125 -10.024 -11.225 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.790 -10.717 -7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.131 -9.661 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.834 -8.660 -10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.281 -8.503 -8.918 1.00 0.00 H new ATOM 864 N GLN A 56 -3.863 -7.080 -12.432 1.00 0.00 N ATOM 865 CA GLN A 56 -4.405 -6.332 -13.564 1.00 0.00 C ATOM 866 C GLN A 56 -3.340 -5.493 -14.268 1.00 0.00 C ATOM 867 O GLN A 56 -3.184 -5.580 -15.485 1.00 0.00 O ATOM 868 CB GLN A 56 -5.571 -5.447 -13.103 1.00 0.00 C ATOM 869 CG GLN A 56 -5.266 -4.601 -11.873 1.00 0.00 C ATOM 870 CD GLN A 56 -6.463 -3.797 -11.402 1.00 0.00 C ATOM 871 OE1 GLN A 56 -7.310 -3.389 -12.197 1.00 0.00 O ATOM 872 NE2 GLN A 56 -6.539 -3.565 -10.101 1.00 0.00 N ATOM 0 H GLN A 56 -3.090 -6.624 -11.947 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.770 -7.058 -14.291 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.857 -4.787 -13.922 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.431 -6.081 -12.889 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.930 -5.251 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.444 -3.922 -12.099 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.816 -3.921 -9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.321 -3.030 -9.723 1.00 0.00 H new ATOM 881 N THR A 57 -2.603 -4.698 -13.509 1.00 0.00 N ATOM 882 CA THR A 57 -1.633 -3.782 -14.086 1.00 0.00 C ATOM 883 C THR A 57 -0.813 -3.122 -12.981 1.00 0.00 C ATOM 884 O THR A 57 -1.170 -3.205 -11.803 1.00 0.00 O ATOM 885 CB THR A 57 -2.332 -2.705 -14.949 1.00 0.00 C ATOM 886 OG1 THR A 57 -1.370 -1.995 -15.737 1.00 0.00 O ATOM 887 CG2 THR A 57 -3.114 -1.722 -14.085 1.00 0.00 C ATOM 0 H THR A 57 -2.658 -4.669 -12.491 1.00 0.00 H new ATOM 0 HA THR A 57 -0.966 -4.353 -14.732 1.00 0.00 H new ATOM 0 HB THR A 57 -3.034 -3.216 -15.609 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.827 -1.318 -16.279 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.593 -0.979 -14.722 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.875 -2.260 -13.520 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.434 -1.224 -13.394 1.00 0.00 H new ATOM 895 N SER A 58 0.276 -2.467 -13.359 1.00 0.00 N ATOM 896 CA SER A 58 1.173 -1.866 -12.390 1.00 0.00 C ATOM 897 C SER A 58 0.660 -0.507 -11.924 1.00 0.00 C ATOM 898 O SER A 58 0.380 0.381 -12.729 1.00 0.00 O ATOM 899 CB SER A 58 2.575 -1.747 -12.982 1.00 0.00 C ATOM 900 OG SER A 58 2.523 -1.464 -14.374 1.00 0.00 O ATOM 0 H SER A 58 0.557 -2.340 -14.331 1.00 0.00 H new ATOM 0 HA SER A 58 1.215 -2.513 -11.514 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.124 -0.958 -12.468 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.122 -2.675 -12.817 1.00 0.00 H new ATOM 0 HG SER A 58 3.434 -1.391 -14.727 1.00 0.00 H new ATOM 906 N LEU A 59 0.549 -0.362 -10.615 1.00 0.00 N ATOM 907 CA LEU A 59 0.055 0.863 -10.003 1.00 0.00 C ATOM 908 C LEU A 59 1.131 1.463 -9.110 1.00 0.00 C ATOM 909 O LEU A 59 1.923 0.734 -8.516 1.00 0.00 O ATOM 910 CB LEU A 59 -1.208 0.571 -9.186 1.00 0.00 C ATOM 911 CG LEU A 59 -1.853 1.782 -8.507 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.401 2.750 -9.545 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.951 1.333 -7.556 1.00 0.00 C ATOM 0 H LEU A 59 0.798 -1.089 -9.945 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.194 1.578 -10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.945 0.110 -9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.961 -0.164 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.089 2.302 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.855 3.604 -9.042 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.589 3.096 -10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.152 2.245 -10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.400 2.205 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.715 0.790 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.527 0.682 -6.792 1.00 0.00 H new ATOM 925 N ALA A 60 1.164 2.783 -9.022 1.00 0.00 N ATOM 926 CA ALA A 60 2.148 3.464 -8.197 1.00 0.00 C ATOM 927 C ALA A 60 1.480 4.116 -6.995 1.00 0.00 C ATOM 928 O ALA A 60 0.516 4.872 -7.142 1.00 0.00 O ATOM 929 CB ALA A 60 2.900 4.500 -9.017 1.00 0.00 C ATOM 0 H ALA A 60 0.520 3.404 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 60 2.863 2.726 -7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.633 5.002 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.410 4.008 -9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.196 5.234 -9.409 1.00 0.00 H new ATOM 935 N LEU A 61 1.989 3.817 -5.809 1.00 0.00 N ATOM 936 CA LEU A 61 1.447 4.385 -4.581 1.00 0.00 C ATOM 937 C LEU A 61 2.369 5.488 -4.080 1.00 0.00 C ATOM 938 O LEU A 61 3.583 5.303 -4.017 1.00 0.00 O ATOM 939 CB LEU A 61 1.254 3.293 -3.521 1.00 0.00 C ATOM 940 CG LEU A 61 2.499 2.478 -3.172 1.00 0.00 C ATOM 941 CD1 LEU A 61 3.168 3.011 -1.912 1.00 0.00 C ATOM 942 CD2 LEU A 61 2.149 1.007 -3.010 1.00 0.00 C ATOM 0 H LEU A 61 2.777 3.184 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 61 0.468 4.818 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.881 3.760 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.480 2.608 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 61 3.206 2.576 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.051 2.412 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.463 4.049 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.469 2.954 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.049 0.444 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.417 0.893 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.730 0.628 -3.942 1.00 0.00 H new ATOM 954 N ARG A 62 1.792 6.627 -3.726 1.00 0.00 N ATOM 955 CA ARG A 62 2.576 7.818 -3.422 1.00 0.00 C ATOM 956 C ARG A 62 3.232 7.708 -2.057 1.00 0.00 C ATOM 957 O ARG A 62 2.982 6.763 -1.305 1.00 0.00 O ATOM 958 CB ARG A 62 1.705 9.083 -3.448 1.00 0.00 C ATOM 959 CG ARG A 62 1.105 9.438 -4.801 1.00 0.00 C ATOM 960 CD ARG A 62 -0.012 8.487 -5.188 1.00 0.00 C ATOM 961 NE ARG A 62 -1.138 9.179 -5.806 1.00 0.00 N ATOM 962 CZ ARG A 62 -2.415 8.929 -5.504 1.00 0.00 C ATOM 963 NH1 ARG A 62 -2.715 8.099 -4.507 1.00 0.00 N ATOM 964 NH2 ARG A 62 -3.390 9.542 -6.168 1.00 0.00 N ATOM 0 H ARG A 62 0.783 6.753 -3.642 1.00 0.00 H new ATOM 0 HA ARG A 62 3.344 7.893 -4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.893 8.959 -2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.307 9.925 -3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.721 10.458 -4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.884 9.412 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.375 7.738 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.357 7.955 -4.301 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.939 9.893 -6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.969 7.653 -3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.691 7.909 -4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.164 10.205 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.364 9.350 -5.936 1.00 0.00 H new ATOM 978 N ARG A 63 4.062 8.695 -1.736 1.00 0.00 N ATOM 979 CA ARG A 63 4.668 8.790 -0.414 1.00 0.00 C ATOM 980 C ARG A 63 3.572 8.961 0.627 1.00 0.00 C ATOM 981 O ARG A 63 3.679 8.481 1.754 1.00 0.00 O ATOM 982 CB ARG A 63 5.649 9.967 -0.341 1.00 0.00 C ATOM 983 CG ARG A 63 6.829 9.858 -1.301 1.00 0.00 C ATOM 984 CD ARG A 63 7.654 8.609 -1.041 1.00 0.00 C ATOM 985 NE ARG A 63 8.107 8.532 0.348 1.00 0.00 N ATOM 986 CZ ARG A 63 8.941 7.603 0.811 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.478 6.712 -0.015 1.00 0.00 N ATOM 988 NH2 ARG A 63 9.253 7.581 2.100 1.00 0.00 N ATOM 0 H ARG A 63 4.331 9.442 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 63 5.226 7.875 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.108 10.890 -0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.030 10.046 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.462 9.844 -2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.462 10.739 -1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.060 7.726 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.518 8.600 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 63 7.762 9.234 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.252 6.737 -1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.116 6.003 0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.854 8.274 2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.892 6.871 2.458 1.00 0.00 H new ATOM 1002 N LYS A 64 2.513 9.654 0.225 1.00 0.00 N ATOM 1003 CA LYS A 64 1.353 9.864 1.073 1.00 0.00 C ATOM 1004 C LYS A 64 0.692 8.538 1.425 1.00 0.00 C ATOM 1005 O LYS A 64 0.478 8.235 2.600 1.00 0.00 O ATOM 1006 CB LYS A 64 0.349 10.769 0.364 1.00 0.00 C ATOM 1007 CG LYS A 64 0.913 12.127 -0.026 1.00 0.00 C ATOM 1008 CD LYS A 64 -0.118 12.961 -0.773 1.00 0.00 C ATOM 1009 CE LYS A 64 -1.376 13.180 0.057 1.00 0.00 C ATOM 1010 NZ LYS A 64 -1.100 13.939 1.306 1.00 0.00 N ATOM 0 H LYS A 64 2.437 10.084 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 64 1.684 10.341 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.010 10.264 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.514 10.917 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.235 12.660 0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.795 11.991 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.316 13.925 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.380 12.464 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.113 13.719 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.815 12.215 0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.998 14.167 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.511 13.362 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.598 14.819 1.073 1.00 0.00 H new ATOM 1024 N ASP A 65 0.386 7.749 0.403 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.264 6.462 0.593 1.00 0.00 C ATOM 1026 C ASP A 65 0.635 5.537 1.393 1.00 0.00 C ATOM 1027 O ASP A 65 0.180 4.843 2.298 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.592 5.816 -0.753 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.396 6.719 -1.666 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -2.544 7.064 -1.318 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.870 7.097 -2.737 1.00 0.00 O ATOM 0 H ASP A 65 0.580 7.981 -0.571 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.193 6.628 1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.337 5.539 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.149 4.895 -0.581 1.00 0.00 H new ATOM 1036 N LEU A 66 1.925 5.556 1.068 1.00 0.00 N ATOM 1037 CA LEU A 66 2.909 4.724 1.753 1.00 0.00 C ATOM 1038 C LEU A 66 2.956 5.055 3.242 1.00 0.00 C ATOM 1039 O LEU A 66 3.076 4.165 4.081 1.00 0.00 O ATOM 1040 CB LEU A 66 4.294 4.917 1.128 1.00 0.00 C ATOM 1041 CG LEU A 66 5.402 4.036 1.705 1.00 0.00 C ATOM 1042 CD1 LEU A 66 5.090 2.562 1.482 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.743 4.397 1.083 1.00 0.00 C ATOM 0 H LEU A 66 2.314 6.142 0.330 1.00 0.00 H new ATOM 0 HA LEU A 66 2.611 3.681 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.221 4.725 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.585 5.961 1.246 1.00 0.00 H new ATOM 0 HG LEU A 66 5.458 4.214 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.891 1.953 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.150 2.311 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.005 2.366 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.522 3.761 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.696 4.247 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.973 5.441 1.295 1.00 0.00 H new ATOM 1055 N ALA A 67 2.835 6.336 3.570 1.00 0.00 N ATOM 1056 CA ALA A 67 2.884 6.774 4.959 1.00 0.00 C ATOM 1057 C ALA A 67 1.627 6.360 5.718 1.00 0.00 C ATOM 1058 O ALA A 67 1.598 6.371 6.948 1.00 0.00 O ATOM 1059 CB ALA A 67 3.069 8.281 5.026 1.00 0.00 C ATOM 0 H ALA A 67 2.702 7.088 2.894 1.00 0.00 H new ATOM 0 HA ALA A 67 3.736 6.288 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.104 8.597 6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.001 8.555 4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.235 8.773 4.526 1.00 0.00 H new ATOM 1065 N LEU A 68 0.591 5.988 4.982 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.670 5.584 5.589 1.00 0.00 C ATOM 1067 C LEU A 68 -0.894 4.080 5.458 1.00 0.00 C ATOM 1068 O LEU A 68 -1.861 3.542 5.994 1.00 0.00 O ATOM 1069 CB LEU A 68 -1.830 6.359 4.964 1.00 0.00 C ATOM 1070 CG LEU A 68 -1.832 7.861 5.268 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.952 8.562 4.521 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -1.963 8.098 6.766 1.00 0.00 C ATOM 0 H LEU A 68 0.598 5.957 3.962 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.623 5.819 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.801 6.221 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.768 5.929 5.316 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.884 8.279 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.933 9.627 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.818 8.422 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.911 8.142 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.963 9.169 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.896 7.662 7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.124 7.632 7.283 1.00 0.00 H new ATOM 1084 N LEU A 69 0.008 3.406 4.761 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.106 1.967 4.555 1.00 0.00 C ATOM 1086 C LEU A 69 0.975 1.220 5.323 1.00 0.00 C ATOM 1087 O LEU A 69 2.143 1.613 5.311 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.004 1.630 3.064 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.208 2.030 2.212 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -0.912 1.803 0.737 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -2.437 1.241 2.632 1.00 0.00 C ATOM 0 H LEU A 69 0.828 3.831 4.328 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.081 1.652 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.883 2.118 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.149 0.556 2.962 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.406 3.091 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.779 2.093 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.052 2.405 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.692 0.749 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.287 1.536 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.247 0.176 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.659 1.444 3.679 1.00 0.00 H new ATOM 1103 N THR A 70 0.587 0.148 6.000 1.00 0.00 N ATOM 1104 CA THR A 70 1.552 -0.700 6.676 1.00 0.00 C ATOM 1105 C THR A 70 1.726 -2.011 5.918 1.00 0.00 C ATOM 1106 O THR A 70 0.784 -2.793 5.769 1.00 0.00 O ATOM 1107 CB THR A 70 1.129 -0.989 8.122 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.868 0.246 8.807 1.00 0.00 O ATOM 1109 CG2 THR A 70 2.212 -1.763 8.862 1.00 0.00 C ATOM 0 H THR A 70 -0.383 -0.152 6.094 1.00 0.00 H new ATOM 0 HA THR A 70 2.502 -0.166 6.699 1.00 0.00 H new ATOM 0 HB THR A 70 0.224 -1.596 8.099 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.596 0.057 9.730 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.888 -1.955 9.885 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.393 -2.711 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.132 -1.178 8.877 1.00 0.00 H new ATOM 1117 N LEU A 71 2.930 -2.233 5.429 1.00 0.00 N ATOM 1118 CA LEU A 71 3.226 -3.414 4.634 1.00 0.00 C ATOM 1119 C LEU A 71 4.389 -4.188 5.234 1.00 0.00 C ATOM 1120 O LEU A 71 5.273 -3.611 5.868 1.00 0.00 O ATOM 1121 CB LEU A 71 3.572 -3.050 3.179 1.00 0.00 C ATOM 1122 CG LEU A 71 2.452 -2.415 2.348 1.00 0.00 C ATOM 1123 CD1 LEU A 71 2.334 -0.929 2.639 1.00 0.00 C ATOM 1124 CD2 LEU A 71 2.695 -2.647 0.865 1.00 0.00 C ATOM 0 H LEU A 71 3.725 -1.609 5.568 1.00 0.00 H new ATOM 0 HA LEU A 71 2.327 -4.031 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.419 -2.364 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.903 -3.955 2.670 1.00 0.00 H new ATOM 0 HG LEU A 71 1.512 -2.891 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.532 -0.503 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.111 -0.782 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.274 -0.435 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.891 -2.190 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.647 -2.200 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.722 -3.718 0.664 1.00 0.00 H new ATOM 1136 N VAL A 72 4.383 -5.491 5.028 1.00 0.00 N ATOM 1137 CA VAL A 72 5.478 -6.344 5.448 1.00 0.00 C ATOM 1138 C VAL A 72 5.903 -7.232 4.286 1.00 0.00 C ATOM 1139 O VAL A 72 5.084 -7.945 3.699 1.00 0.00 O ATOM 1140 CB VAL A 72 5.106 -7.215 6.673 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.943 -6.355 7.915 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.838 -8.015 6.411 1.00 0.00 C ATOM 0 H VAL A 72 3.621 -5.987 4.566 1.00 0.00 H new ATOM 0 HA VAL A 72 6.305 -5.701 5.750 1.00 0.00 H new ATOM 0 HB VAL A 72 5.922 -7.918 6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.682 -6.987 8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.879 -5.836 8.124 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.152 -5.624 7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.600 -8.618 7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.013 -7.333 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.991 -8.669 5.552 1.00 0.00 H new ATOM 1152 N PRO A 73 7.180 -7.169 3.903 1.00 0.00 N ATOM 1153 CA PRO A 73 7.703 -7.989 2.816 1.00 0.00 C ATOM 1154 C PRO A 73 7.694 -9.466 3.175 1.00 0.00 C ATOM 1155 O PRO A 73 7.542 -9.832 4.344 1.00 0.00 O ATOM 1156 CB PRO A 73 9.144 -7.487 2.644 1.00 0.00 C ATOM 1157 CG PRO A 73 9.492 -6.860 3.951 1.00 0.00 C ATOM 1158 CD PRO A 73 8.209 -6.296 4.490 1.00 0.00 C ATOM 0 HA PRO A 73 7.104 -7.903 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.822 -8.307 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.217 -6.767 1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.915 -7.594 4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.239 -6.077 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.185 -6.322 5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.071 -5.256 4.193 1.00 0.00 H new ATOM 1166 N LEU A 74 7.835 -10.310 2.166 1.00 0.00 N ATOM 1167 CA LEU A 74 8.007 -11.732 2.390 1.00 0.00 C ATOM 1168 C LEU A 74 9.184 -11.968 3.330 1.00 0.00 C ATOM 1169 O LEU A 74 9.112 -12.812 4.224 1.00 0.00 O ATOM 1170 CB LEU A 74 8.227 -12.450 1.063 1.00 0.00 C ATOM 1171 CG LEU A 74 7.053 -12.378 0.083 1.00 0.00 C ATOM 1172 CD1 LEU A 74 7.389 -13.112 -1.205 1.00 0.00 C ATOM 1173 CD2 LEU A 74 5.797 -12.961 0.711 1.00 0.00 C ATOM 0 H LEU A 74 7.833 -10.033 1.184 1.00 0.00 H new ATOM 0 HA LEU A 74 7.105 -12.134 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.109 -12.028 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.446 -13.498 1.267 1.00 0.00 H new ATOM 0 HG LEU A 74 6.867 -11.330 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.543 -13.051 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.264 -12.655 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.601 -14.158 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.973 -12.901 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.973 -14.004 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.543 -12.397 1.608 1.00 0.00 H new ATOM 1185 N ASP A 75 10.253 -11.194 3.115 1.00 0.00 N ATOM 1186 CA ASP A 75 11.422 -11.186 3.994 1.00 0.00 C ATOM 1187 C ASP A 75 12.102 -12.551 4.005 1.00 0.00 C ATOM 1188 O ASP A 75 11.741 -13.401 4.844 1.00 0.00 O ATOM 1189 CB ASP A 75 11.029 -10.755 5.414 1.00 0.00 C ATOM 1190 CG ASP A 75 12.222 -10.579 6.335 1.00 0.00 C ATOM 1191 OD1 ASP A 75 12.842 -9.495 6.310 1.00 0.00 O ATOM 1192 OD2 ASP A 75 12.521 -11.506 7.116 1.00 0.00 O ATOM 1193 OXT ASP A 75 12.981 -12.778 3.148 1.00 0.00 O ATOM 0 H ASP A 75 10.330 -10.555 2.324 1.00 0.00 H new ATOM 0 HA ASP A 75 12.136 -10.460 3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.476 -9.817 5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.356 -11.499 5.840 1.00 0.00 H new TER 1198 ASP A 75