USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 CYS SG : rot 148:sc= -5.29! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -6.98! C(o=-12!,f=-23!) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= -0.223 USER MOD Set 2.2: A 8 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 49:sc= 0.451 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -38:sc= 0.671 USER MOD Single : A 33 THR OG1 : rot 13:sc= -0.634 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -51:sc= -2.55! USER MOD Single : A 43 TYR OH : rot 110:sc= -0.569 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -0.364 K(o=-0.36,f=-3.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -7.82! C(o=-7.8!,f=-14!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00546 USER MOD Single : A 80 SER OG : rot -28:sc= 0.269 USER MOD Single : A 81 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 89 SER OG : rot 180:sc= -0.027 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.285 -9.711 -19.869 1.00 0.00 N ATOM 2 CA GLY A 1 1.529 -8.943 -18.841 1.00 0.00 C ATOM 3 C GLY A 1 2.143 -7.558 -18.686 1.00 0.00 C ATOM 4 O GLY A 1 1.443 -6.551 -18.778 1.00 0.00 O ATOM 0 H1 GLY A 1 1.865 -10.657 -19.974 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.241 -9.209 -20.779 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.278 -9.804 -19.573 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.482 -8.857 -19.133 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.552 -9.471 -17.888 1.00 0.00 H new ATOM 10 N HIS A 2 3.451 -7.517 -18.451 1.00 0.00 N ATOM 11 CA HIS A 2 4.154 -6.250 -18.280 1.00 0.00 C ATOM 12 C HIS A 2 3.715 -5.564 -16.988 1.00 0.00 C ATOM 13 O HIS A 2 4.539 -5.239 -16.136 1.00 0.00 O ATOM 14 CB HIS A 2 3.867 -5.329 -19.475 1.00 0.00 C ATOM 15 CG HIS A 2 4.955 -4.298 -19.592 1.00 0.00 C ATOM 16 ND1 HIS A 2 4.962 -3.141 -18.831 1.00 0.00 N ATOM 17 CD2 HIS A 2 6.083 -4.244 -20.372 1.00 0.00 C ATOM 18 CE1 HIS A 2 6.062 -2.443 -19.166 1.00 0.00 C ATOM 19 NE2 HIS A 2 6.781 -3.072 -20.101 1.00 0.00 N ATOM 0 H HIS A 2 4.044 -8.344 -18.375 1.00 0.00 H new ATOM 0 HA HIS A 2 5.224 -6.452 -18.225 1.00 0.00 H new ATOM 0 HB2 HIS A 2 3.808 -5.915 -20.392 1.00 0.00 H new ATOM 0 HB3 HIS A 2 2.901 -4.840 -19.346 1.00 0.00 H new ATOM 0 HD2 HIS A 2 6.383 -4.996 -21.087 1.00 0.00 H new ATOM 0 HE1 HIS A 2 6.331 -1.491 -18.733 1.00 0.00 H new ATOM 0 HE2 HIS A 2 7.654 -2.759 -20.525 1.00 0.00 H new ATOM 28 N MET A 3 2.412 -5.346 -16.852 1.00 0.00 N ATOM 29 CA MET A 3 1.875 -4.697 -15.665 1.00 0.00 C ATOM 30 C MET A 3 2.132 -5.551 -14.431 1.00 0.00 C ATOM 31 O MET A 3 2.409 -5.030 -13.352 1.00 0.00 O ATOM 32 CB MET A 3 0.367 -4.470 -15.827 1.00 0.00 C ATOM 33 CG MET A 3 0.127 -3.225 -16.685 1.00 0.00 C ATOM 34 SD MET A 3 0.795 -3.499 -18.345 1.00 0.00 S ATOM 35 CE MET A 3 -0.682 -4.261 -19.060 1.00 0.00 C ATOM 0 H MET A 3 1.712 -5.608 -17.546 1.00 0.00 H new ATOM 0 HA MET A 3 2.374 -3.736 -15.541 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.094 -5.340 -16.293 1.00 0.00 H new ATOM 0 HB3 MET A 3 -0.100 -4.347 -14.850 1.00 0.00 H new ATOM 0 HG2 MET A 3 -0.940 -3.009 -16.742 1.00 0.00 H new ATOM 0 HG3 MET A 3 0.604 -2.358 -16.228 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.491 -4.517 -20.102 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.930 -5.165 -18.504 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.516 -3.561 -19.005 1.00 0.00 H new ATOM 45 N SER A 4 2.031 -6.869 -14.594 1.00 0.00 N ATOM 46 CA SER A 4 2.251 -7.791 -13.479 1.00 0.00 C ATOM 47 C SER A 4 3.556 -8.552 -13.669 1.00 0.00 C ATOM 48 O SER A 4 3.604 -9.559 -14.375 1.00 0.00 O ATOM 49 CB SER A 4 1.092 -8.779 -13.385 1.00 0.00 C ATOM 50 OG SER A 4 0.849 -9.344 -14.667 1.00 0.00 O ATOM 0 H SER A 4 1.800 -7.320 -15.479 1.00 0.00 H new ATOM 0 HA SER A 4 2.310 -7.213 -12.557 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.327 -9.565 -12.667 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.197 -8.273 -13.022 1.00 0.00 H new ATOM 0 HG SER A 4 1.695 -9.649 -15.056 1.00 0.00 H new ATOM 56 N ASP A 5 4.619 -8.063 -13.036 1.00 0.00 N ATOM 57 CA ASP A 5 5.927 -8.702 -13.146 1.00 0.00 C ATOM 58 C ASP A 5 6.089 -9.773 -12.079 1.00 0.00 C ATOM 59 O ASP A 5 7.188 -10.281 -11.860 1.00 0.00 O ATOM 60 CB ASP A 5 7.034 -7.658 -12.992 1.00 0.00 C ATOM 61 CG ASP A 5 6.989 -6.678 -14.159 1.00 0.00 C ATOM 62 OD1 ASP A 5 6.406 -7.021 -15.174 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.538 -5.598 -14.020 1.00 0.00 O ATOM 0 H ASP A 5 4.601 -7.232 -12.445 1.00 0.00 H new ATOM 0 HA ASP A 5 6.000 -9.168 -14.129 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.912 -7.122 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.006 -8.149 -12.955 1.00 0.00 H new ATOM 68 N LEU A 6 4.990 -10.118 -11.415 1.00 0.00 N ATOM 69 CA LEU A 6 5.023 -11.139 -10.367 1.00 0.00 C ATOM 70 C LEU A 6 3.989 -12.223 -10.651 1.00 0.00 C ATOM 71 O LEU A 6 3.355 -12.233 -11.708 1.00 0.00 O ATOM 72 CB LEU A 6 4.732 -10.500 -9.009 1.00 0.00 C ATOM 73 CG LEU A 6 3.382 -9.753 -9.059 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.663 -9.913 -7.722 1.00 0.00 C ATOM 75 CD2 LEU A 6 3.630 -8.269 -9.336 1.00 0.00 C ATOM 0 H LEU A 6 4.070 -9.710 -11.581 1.00 0.00 H new ATOM 0 HA LEU A 6 6.015 -11.590 -10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.705 -11.267 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.531 -9.808 -8.744 1.00 0.00 H new ATOM 0 HG LEU A 6 2.764 -10.170 -9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.710 -9.386 -7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.486 -10.971 -7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.279 -9.497 -6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.677 -7.741 -9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.248 -7.849 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.142 -8.158 -10.292 1.00 0.00 H new ATOM 87 N SER A 7 3.815 -13.130 -9.698 1.00 0.00 N ATOM 88 CA SER A 7 2.846 -14.215 -9.851 1.00 0.00 C ATOM 89 C SER A 7 1.540 -13.868 -9.148 1.00 0.00 C ATOM 90 O SER A 7 1.421 -12.820 -8.515 1.00 0.00 O ATOM 91 CB SER A 7 3.414 -15.501 -9.258 1.00 0.00 C ATOM 92 OG SER A 7 2.517 -16.574 -9.520 1.00 0.00 O ATOM 0 H SER A 7 4.327 -13.139 -8.816 1.00 0.00 H new ATOM 0 HA SER A 7 2.649 -14.356 -10.914 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.391 -15.714 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.559 -15.387 -8.184 1.00 0.00 H new ATOM 0 HG SER A 7 2.879 -17.403 -9.142 1.00 0.00 H new ATOM 98 N THR A 8 0.557 -14.756 -9.262 1.00 0.00 N ATOM 99 CA THR A 8 -0.737 -14.536 -8.629 1.00 0.00 C ATOM 100 C THR A 8 -0.681 -14.927 -7.157 1.00 0.00 C ATOM 101 O THR A 8 -1.713 -15.070 -6.500 1.00 0.00 O ATOM 102 CB THR A 8 -1.812 -15.367 -9.336 1.00 0.00 C ATOM 103 OG1 THR A 8 -1.314 -16.675 -9.583 1.00 0.00 O ATOM 104 CG2 THR A 8 -2.187 -14.700 -10.660 1.00 0.00 C ATOM 0 H THR A 8 0.632 -15.629 -9.784 1.00 0.00 H new ATOM 0 HA THR A 8 -0.985 -13.478 -8.707 1.00 0.00 H new ATOM 0 HB THR A 8 -2.697 -15.431 -8.702 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.002 -17.207 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.952 -15.292 -11.162 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.572 -13.699 -10.467 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.305 -14.633 -11.296 1.00 0.00 H new ATOM 112 N ALA A 9 0.530 -15.105 -6.642 1.00 0.00 N ATOM 113 CA ALA A 9 0.717 -15.486 -5.239 1.00 0.00 C ATOM 114 C ALA A 9 1.850 -14.677 -4.620 1.00 0.00 C ATOM 115 O ALA A 9 2.820 -15.230 -4.110 1.00 0.00 O ATOM 116 CB ALA A 9 1.031 -16.970 -5.137 1.00 0.00 C ATOM 0 H ALA A 9 1.396 -14.993 -7.169 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.205 -15.278 -4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.168 -17.242 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.206 -17.546 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.944 -17.188 -5.691 1.00 0.00 H new ATOM 122 N PRO A 10 1.737 -13.381 -4.649 1.00 0.00 N ATOM 123 CA PRO A 10 2.768 -12.461 -4.078 1.00 0.00 C ATOM 124 C PRO A 10 3.097 -12.805 -2.628 1.00 0.00 C ATOM 125 O PRO A 10 2.320 -13.473 -1.948 1.00 0.00 O ATOM 126 CB PRO A 10 2.122 -11.065 -4.178 1.00 0.00 C ATOM 127 CG PRO A 10 0.679 -11.310 -4.478 1.00 0.00 C ATOM 128 CD PRO A 10 0.617 -12.630 -5.228 1.00 0.00 C ATOM 0 HA PRO A 10 3.716 -12.530 -4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.240 -10.511 -3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.590 -10.472 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.094 -11.357 -3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.264 -10.501 -5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.335 -13.139 -5.074 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.735 -12.491 -6.303 1.00 0.00 H new ATOM 136 N THR A 11 4.253 -12.338 -2.160 1.00 0.00 N ATOM 137 CA THR A 11 4.678 -12.601 -0.784 1.00 0.00 C ATOM 138 C THR A 11 4.647 -11.322 0.040 1.00 0.00 C ATOM 139 O THR A 11 4.698 -10.219 -0.499 1.00 0.00 O ATOM 140 CB THR A 11 6.096 -13.175 -0.784 1.00 0.00 C ATOM 141 OG1 THR A 11 6.179 -14.230 -1.732 1.00 0.00 O ATOM 142 CG2 THR A 11 6.428 -13.710 0.610 1.00 0.00 C ATOM 0 H THR A 11 4.908 -11.780 -2.707 1.00 0.00 H new ATOM 0 HA THR A 11 3.990 -13.321 -0.339 1.00 0.00 H new ATOM 0 HB THR A 11 6.807 -12.393 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.088 -14.597 -1.734 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.438 -14.119 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.364 -12.899 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.719 -14.493 0.878 1.00 0.00 H new ATOM 150 N LEU A 12 4.553 -11.477 1.352 1.00 0.00 N ATOM 151 CA LEU A 12 4.499 -10.319 2.236 1.00 0.00 C ATOM 152 C LEU A 12 5.609 -9.335 1.908 1.00 0.00 C ATOM 153 O LEU A 12 5.377 -8.129 1.857 1.00 0.00 O ATOM 154 CB LEU A 12 4.652 -10.786 3.697 1.00 0.00 C ATOM 155 CG LEU A 12 3.278 -11.209 4.260 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.455 -12.361 5.247 1.00 0.00 C ATOM 157 CD2 LEU A 12 2.631 -10.017 4.974 1.00 0.00 C ATOM 0 H LEU A 12 4.513 -12.380 1.825 1.00 0.00 H new ATOM 0 HA LEU A 12 3.539 -9.821 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.349 -11.622 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.071 -9.983 4.303 1.00 0.00 H new ATOM 0 HG LEU A 12 2.638 -11.535 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.482 -12.655 5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.912 -13.209 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.097 -12.042 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.661 -10.314 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.274 -9.690 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.498 -9.198 4.267 1.00 0.00 H new ATOM 169 N ASP A 13 6.805 -9.852 1.697 1.00 0.00 N ATOM 170 CA ASP A 13 7.940 -9.003 1.387 1.00 0.00 C ATOM 171 C ASP A 13 7.752 -8.316 0.045 1.00 0.00 C ATOM 172 O ASP A 13 8.095 -7.154 -0.105 1.00 0.00 O ATOM 173 CB ASP A 13 9.224 -9.834 1.335 1.00 0.00 C ATOM 174 CG ASP A 13 9.223 -10.863 2.468 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.327 -10.806 3.294 1.00 0.00 O ATOM 176 OD2 ASP A 13 10.116 -11.696 2.491 1.00 0.00 O ATOM 0 H ASP A 13 7.015 -10.849 1.734 1.00 0.00 H new ATOM 0 HA ASP A 13 8.015 -8.250 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.302 -10.340 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.093 -9.183 1.424 1.00 0.00 H new ATOM 181 N SER A 14 7.193 -9.043 -0.926 1.00 0.00 N ATOM 182 CA SER A 14 6.971 -8.493 -2.258 1.00 0.00 C ATOM 183 C SER A 14 5.909 -7.398 -2.215 1.00 0.00 C ATOM 184 O SER A 14 6.031 -6.356 -2.887 1.00 0.00 O ATOM 185 CB SER A 14 6.548 -9.596 -3.211 1.00 0.00 C ATOM 186 OG SER A 14 5.259 -10.068 -2.843 1.00 0.00 O ATOM 0 H SER A 14 6.888 -10.010 -0.812 1.00 0.00 H new ATOM 0 HA SER A 14 7.903 -8.055 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.532 -9.221 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.269 -10.413 -3.182 1.00 0.00 H new ATOM 0 HG SER A 14 5.185 -10.089 -1.866 1.00 0.00 H new ATOM 192 N LEU A 15 4.856 -7.633 -1.444 1.00 0.00 N ATOM 193 CA LEU A 15 3.796 -6.652 -1.321 1.00 0.00 C ATOM 194 C LEU A 15 4.283 -5.480 -0.468 1.00 0.00 C ATOM 195 O LEU A 15 4.435 -4.364 -0.955 1.00 0.00 O ATOM 196 CB LEU A 15 2.563 -7.287 -0.672 1.00 0.00 C ATOM 197 CG LEU A 15 2.125 -8.489 -1.503 1.00 0.00 C ATOM 198 CD1 LEU A 15 0.981 -9.209 -0.794 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.654 -8.016 -2.890 1.00 0.00 C ATOM 0 H LEU A 15 4.717 -8.485 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 15 3.525 -6.292 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.793 -7.598 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.754 -6.559 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 15 2.966 -9.172 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.668 -10.068 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.316 -9.548 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.140 -8.526 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.342 -8.877 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.814 -7.331 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.472 -7.505 -3.397 1.00 0.00 H new ATOM 211 N ARG A 16 4.497 -5.737 0.813 1.00 0.00 N ATOM 212 CA ARG A 16 4.937 -4.687 1.728 1.00 0.00 C ATOM 213 C ARG A 16 5.876 -3.714 1.012 1.00 0.00 C ATOM 214 O ARG A 16 5.677 -2.487 1.050 1.00 0.00 O ATOM 215 CB ARG A 16 5.682 -5.325 2.900 1.00 0.00 C ATOM 216 CG ARG A 16 6.212 -4.225 3.842 1.00 0.00 C ATOM 217 CD ARG A 16 7.705 -3.987 3.582 1.00 0.00 C ATOM 218 NE ARG A 16 8.252 -3.092 4.586 1.00 0.00 N ATOM 219 CZ ARG A 16 9.548 -2.810 4.615 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.351 -3.342 3.733 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.019 -2.004 5.525 1.00 0.00 N ATOM 0 H ARG A 16 4.375 -6.654 1.243 1.00 0.00 H new ATOM 0 HA ARG A 16 4.064 -4.141 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.016 -5.994 3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.510 -5.930 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.655 -3.301 3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.057 -4.518 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.241 -4.936 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.845 -3.560 2.589 1.00 0.00 H new ATOM 0 HE ARG A 16 7.631 -2.674 5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.982 -3.974 3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.348 -3.126 3.755 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.391 -1.590 6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.015 -1.787 5.548 1.00 0.00 H new ATOM 235 N VAL A 17 6.891 -4.262 0.340 1.00 0.00 N ATOM 236 CA VAL A 17 7.841 -3.429 -0.389 1.00 0.00 C ATOM 237 C VAL A 17 7.142 -2.655 -1.498 1.00 0.00 C ATOM 238 O VAL A 17 7.492 -1.513 -1.783 1.00 0.00 O ATOM 239 CB VAL A 17 8.940 -4.308 -0.995 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.668 -5.072 0.128 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.314 -5.304 -1.961 1.00 0.00 C ATOM 0 H VAL A 17 7.072 -5.264 0.287 1.00 0.00 H new ATOM 0 HA VAL A 17 8.281 -2.717 0.309 1.00 0.00 H new ATOM 0 HB VAL A 17 9.654 -3.680 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.449 -5.697 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.115 -4.360 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.955 -5.700 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.094 -5.931 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.600 -5.930 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.799 -4.765 -2.756 1.00 0.00 H new ATOM 251 N TRP A 18 6.153 -3.283 -2.128 1.00 0.00 N ATOM 252 CA TRP A 18 5.418 -2.623 -3.196 1.00 0.00 C ATOM 253 C TRP A 18 4.699 -1.384 -2.663 1.00 0.00 C ATOM 254 O TRP A 18 4.776 -0.314 -3.249 1.00 0.00 O ATOM 255 CB TRP A 18 4.398 -3.615 -3.808 1.00 0.00 C ATOM 256 CG TRP A 18 2.994 -3.198 -3.471 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.219 -3.731 -2.503 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.218 -2.112 -4.047 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.023 -3.085 -2.471 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.966 -2.071 -3.397 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.463 -1.171 -5.068 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.006 -1.138 -3.741 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.486 -0.231 -5.415 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.251 -0.220 -4.747 1.00 0.00 C ATOM 0 H TRP A 18 5.847 -4.234 -1.920 1.00 0.00 H new ATOM 0 HA TRP A 18 6.118 -2.305 -3.968 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.523 -3.653 -4.890 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.586 -4.620 -3.430 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.505 -4.545 -1.854 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.261 -3.324 -1.837 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.411 -1.176 -5.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.956 -1.129 -3.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.682 0.487 -6.198 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.501 0.506 -5.018 1.00 0.00 H new ATOM 275 N LEU A 19 3.964 -1.562 -1.572 1.00 0.00 N ATOM 276 CA LEU A 19 3.214 -0.458 -0.995 1.00 0.00 C ATOM 277 C LEU A 19 4.130 0.719 -0.716 1.00 0.00 C ATOM 278 O LEU A 19 3.963 1.802 -1.290 1.00 0.00 O ATOM 279 CB LEU A 19 2.557 -0.922 0.322 1.00 0.00 C ATOM 280 CG LEU A 19 1.055 -1.192 0.109 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.617 -2.373 0.956 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.255 0.055 0.487 1.00 0.00 C ATOM 0 H LEU A 19 3.873 -2.449 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 19 2.447 -0.144 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.048 -1.826 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.690 -0.160 1.090 1.00 0.00 H new ATOM 0 HG LEU A 19 0.874 -1.428 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.446 -2.558 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.185 -3.258 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.797 -2.153 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.808 -0.135 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.435 0.300 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.566 0.891 -0.140 1.00 0.00 H new ATOM 294 N VAL A 20 5.094 0.516 0.178 1.00 0.00 N ATOM 295 CA VAL A 20 6.010 1.594 0.533 1.00 0.00 C ATOM 296 C VAL A 20 6.713 2.127 -0.708 1.00 0.00 C ATOM 297 O VAL A 20 6.776 3.341 -0.925 1.00 0.00 O ATOM 298 CB VAL A 20 7.046 1.075 1.535 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.898 -0.009 0.877 1.00 0.00 C ATOM 300 CG2 VAL A 20 7.944 2.229 1.985 1.00 0.00 C ATOM 0 H VAL A 20 5.259 -0.367 0.661 1.00 0.00 H new ATOM 0 HA VAL A 20 5.441 2.407 0.984 1.00 0.00 H new ATOM 0 HB VAL A 20 6.533 0.655 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.634 -0.377 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.258 -0.832 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.411 0.407 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.681 1.860 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.456 2.651 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.336 3.000 2.458 1.00 0.00 H new ATOM 310 N ASP A 21 7.249 1.218 -1.516 1.00 0.00 N ATOM 311 CA ASP A 21 7.949 1.615 -2.730 1.00 0.00 C ATOM 312 C ASP A 21 7.036 2.457 -3.618 1.00 0.00 C ATOM 313 O ASP A 21 7.496 3.362 -4.322 1.00 0.00 O ATOM 314 CB ASP A 21 8.403 0.370 -3.497 1.00 0.00 C ATOM 315 CG ASP A 21 9.096 0.779 -4.791 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.073 1.503 -4.713 1.00 0.00 O ATOM 317 OD2 ASP A 21 8.637 0.362 -5.842 1.00 0.00 O ATOM 0 H ASP A 21 7.212 0.212 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 21 8.819 2.210 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.083 -0.219 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.544 -0.264 -3.719 1.00 0.00 H new ATOM 322 N CYS A 22 5.739 2.161 -3.569 1.00 0.00 N ATOM 323 CA CYS A 22 4.768 2.905 -4.364 1.00 0.00 C ATOM 324 C CYS A 22 4.728 4.363 -3.924 1.00 0.00 C ATOM 325 O CYS A 22 4.745 5.275 -4.755 1.00 0.00 O ATOM 326 CB CYS A 22 3.380 2.282 -4.217 1.00 0.00 C ATOM 327 SG CYS A 22 2.285 2.958 -5.482 1.00 0.00 S ATOM 0 H CYS A 22 5.340 1.419 -2.993 1.00 0.00 H new ATOM 0 HA CYS A 22 5.070 2.861 -5.410 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.443 1.198 -4.316 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.979 2.489 -3.225 1.00 0.00 H new ATOM 0 HG CYS A 22 1.414 2.057 -5.829 1.00 0.00 H new ATOM 333 N VAL A 23 4.669 4.579 -2.611 1.00 0.00 N ATOM 334 CA VAL A 23 4.626 5.941 -2.080 1.00 0.00 C ATOM 335 C VAL A 23 5.894 6.697 -2.466 1.00 0.00 C ATOM 336 O VAL A 23 5.829 7.824 -2.964 1.00 0.00 O ATOM 337 CB VAL A 23 4.505 5.897 -0.562 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.176 7.293 -0.029 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.392 4.927 -0.162 1.00 0.00 C ATOM 0 H VAL A 23 4.650 3.843 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 23 3.762 6.455 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 23 5.451 5.560 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.090 7.257 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.970 7.985 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.232 7.633 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.308 4.898 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.447 5.261 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.627 3.930 -0.535 1.00 0.00 H new ATOM 349 N ALA A 24 7.050 6.075 -2.237 1.00 0.00 N ATOM 350 CA ALA A 24 8.324 6.707 -2.569 1.00 0.00 C ATOM 351 C ALA A 24 8.302 7.215 -4.005 1.00 0.00 C ATOM 352 O ALA A 24 8.661 8.350 -4.269 1.00 0.00 O ATOM 353 CB ALA A 24 9.462 5.699 -2.395 1.00 0.00 C ATOM 0 H ALA A 24 7.130 5.144 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 24 8.483 7.552 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.411 6.175 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.489 5.355 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.299 4.848 -3.056 1.00 0.00 H new ATOM 359 N GLY A 25 7.893 6.355 -4.926 1.00 0.00 N ATOM 360 CA GLY A 25 7.832 6.736 -6.333 1.00 0.00 C ATOM 361 C GLY A 25 6.834 7.869 -6.545 1.00 0.00 C ATOM 362 O GLY A 25 7.121 8.841 -7.245 1.00 0.00 O ATOM 0 H GLY A 25 7.601 5.398 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.820 7.047 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.544 5.874 -6.935 1.00 0.00 H new ATOM 366 N HIS A 26 5.654 7.735 -5.946 1.00 0.00 N ATOM 367 CA HIS A 26 4.623 8.750 -6.092 1.00 0.00 C ATOM 368 C HIS A 26 5.134 10.116 -5.661 1.00 0.00 C ATOM 369 O HIS A 26 5.059 11.082 -6.427 1.00 0.00 O ATOM 370 CB HIS A 26 3.406 8.382 -5.230 1.00 0.00 C ATOM 371 CG HIS A 26 2.630 7.280 -5.896 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.161 7.390 -7.196 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.231 6.042 -5.459 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.515 6.251 -7.494 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.530 5.394 -6.471 1.00 0.00 N ATOM 0 H HIS A 26 5.392 6.941 -5.361 1.00 0.00 H new ATOM 0 HA HIS A 26 4.342 8.794 -7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.732 8.064 -4.240 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.769 9.256 -5.090 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.431 5.633 -4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.042 6.053 -8.444 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.116 4.462 -6.438 1.00 0.00 H new ATOM 384 N LEU A 27 5.665 10.198 -4.441 1.00 0.00 N ATOM 385 CA LEU A 27 6.187 11.466 -3.937 1.00 0.00 C ATOM 386 C LEU A 27 7.597 11.719 -4.445 1.00 0.00 C ATOM 387 O LEU A 27 7.974 12.852 -4.726 1.00 0.00 O ATOM 388 CB LEU A 27 6.186 11.441 -2.408 1.00 0.00 C ATOM 389 CG LEU A 27 4.788 11.066 -1.904 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.798 10.994 -0.374 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.776 12.127 -2.357 1.00 0.00 C ATOM 0 H LEU A 27 5.744 9.414 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 27 5.547 12.272 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.920 10.722 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.475 12.417 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 27 4.505 10.096 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.804 10.727 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.515 10.240 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.083 11.964 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.782 11.859 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.059 13.098 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.766 12.179 -3.446 1.00 0.00 H new ATOM 403 N GLY A 28 8.371 10.657 -4.571 1.00 0.00 N ATOM 404 CA GLY A 28 9.752 10.753 -5.046 1.00 0.00 C ATOM 405 C GLY A 28 10.754 10.662 -3.899 1.00 0.00 C ATOM 406 O GLY A 28 11.962 10.598 -4.124 1.00 0.00 O ATOM 0 H GLY A 28 8.070 9.708 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.946 9.955 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.890 11.696 -5.575 1.00 0.00 H new ATOM 410 N LEU A 29 10.247 10.628 -2.676 1.00 0.00 N ATOM 411 CA LEU A 29 11.104 10.532 -1.498 1.00 0.00 C ATOM 412 C LEU A 29 11.708 9.134 -1.415 1.00 0.00 C ATOM 413 O LEU A 29 11.516 8.310 -2.311 1.00 0.00 O ATOM 414 CB LEU A 29 10.297 10.811 -0.230 1.00 0.00 C ATOM 415 CG LEU A 29 9.490 12.097 -0.412 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.712 12.396 0.870 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.440 13.262 -0.721 1.00 0.00 C ATOM 0 H LEU A 29 9.249 10.665 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 29 11.900 11.272 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.628 9.976 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.965 10.906 0.626 1.00 0.00 H new ATOM 0 HG LEU A 29 8.792 11.973 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.137 13.313 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.035 11.570 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.409 12.519 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.863 14.178 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.141 13.388 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.992 13.049 -1.636 1.00 0.00 H new ATOM 429 N ASP A 30 12.451 8.875 -0.341 1.00 0.00 N ATOM 430 CA ASP A 30 13.082 7.569 -0.153 1.00 0.00 C ATOM 431 C ASP A 30 12.131 6.616 0.555 1.00 0.00 C ATOM 432 O ASP A 30 11.467 6.987 1.521 1.00 0.00 O ATOM 433 CB ASP A 30 14.364 7.726 0.662 1.00 0.00 C ATOM 434 CG ASP A 30 15.457 8.353 -0.196 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.315 8.336 -1.408 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.422 8.836 0.370 1.00 0.00 O ATOM 0 H ASP A 30 12.630 9.545 0.407 1.00 0.00 H new ATOM 0 HA ASP A 30 13.326 7.154 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.174 8.349 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.692 6.754 1.029 1.00 0.00 H new ATOM 441 N ALA A 31 12.069 5.383 0.069 1.00 0.00 N ATOM 442 CA ALA A 31 11.194 4.381 0.658 1.00 0.00 C ATOM 443 C ALA A 31 11.541 4.128 2.116 1.00 0.00 C ATOM 444 O ALA A 31 10.661 3.854 2.943 1.00 0.00 O ATOM 445 CB ALA A 31 11.309 3.064 -0.113 1.00 0.00 C ATOM 0 H ALA A 31 12.613 5.055 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 31 10.174 4.762 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.650 2.321 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.021 3.224 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.338 2.708 -0.073 1.00 0.00 H new ATOM 451 N ALA A 32 12.823 4.238 2.441 1.00 0.00 N ATOM 452 CA ALA A 32 13.279 3.995 3.801 1.00 0.00 C ATOM 453 C ALA A 32 12.828 5.090 4.749 1.00 0.00 C ATOM 454 O ALA A 32 12.949 4.950 5.969 1.00 0.00 O ATOM 455 CB ALA A 32 14.810 3.898 3.821 1.00 0.00 C ATOM 0 H ALA A 32 13.561 4.493 1.784 1.00 0.00 H new ATOM 0 HA ALA A 32 12.839 3.057 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.150 3.716 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.131 3.077 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.239 4.832 3.457 1.00 0.00 H new ATOM 461 N THR A 33 12.322 6.180 4.189 1.00 0.00 N ATOM 462 CA THR A 33 11.862 7.306 4.995 1.00 0.00 C ATOM 463 C THR A 33 10.468 7.733 4.573 1.00 0.00 C ATOM 464 O THR A 33 10.105 8.908 4.697 1.00 0.00 O ATOM 465 CB THR A 33 12.831 8.477 4.848 1.00 0.00 C ATOM 466 OG1 THR A 33 13.065 8.724 3.475 1.00 0.00 O ATOM 467 CG2 THR A 33 14.155 8.141 5.543 1.00 0.00 C ATOM 0 H THR A 33 12.219 6.310 3.183 1.00 0.00 H new ATOM 0 HA THR A 33 11.827 6.995 6.039 1.00 0.00 H new ATOM 0 HB THR A 33 12.399 9.365 5.309 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.403 8.240 2.938 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.845 8.978 5.436 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.973 7.953 6.601 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.590 7.252 5.086 1.00 0.00 H new ATOM 475 N ILE A 34 9.684 6.777 4.077 1.00 0.00 N ATOM 476 CA ILE A 34 8.327 7.088 3.658 1.00 0.00 C ATOM 477 C ILE A 34 7.425 7.240 4.879 1.00 0.00 C ATOM 478 O ILE A 34 7.023 8.347 5.224 1.00 0.00 O ATOM 479 CB ILE A 34 7.798 5.961 2.745 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.186 6.269 1.292 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.270 5.855 2.842 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.437 7.519 0.795 1.00 0.00 C ATOM 0 H ILE A 34 9.961 5.802 3.959 1.00 0.00 H new ATOM 0 HA ILE A 34 8.328 8.027 3.105 1.00 0.00 H new ATOM 0 HB ILE A 34 8.237 5.016 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.262 6.429 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.948 5.417 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.919 5.055 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.985 5.637 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.820 6.798 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.721 7.727 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.362 7.344 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.697 8.372 1.422 1.00 0.00 H new ATOM 494 N ALA A 35 7.073 6.112 5.490 1.00 0.00 N ATOM 495 CA ALA A 35 6.196 6.122 6.643 1.00 0.00 C ATOM 496 C ALA A 35 5.718 4.720 6.971 1.00 0.00 C ATOM 497 O ALA A 35 4.660 4.550 7.556 1.00 0.00 O ATOM 498 CB ALA A 35 4.992 7.043 6.405 1.00 0.00 C ATOM 0 H ALA A 35 7.384 5.184 5.202 1.00 0.00 H new ATOM 0 HA ALA A 35 6.766 6.503 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.348 7.034 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.342 8.059 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.430 6.691 5.540 1.00 0.00 H new ATOM 504 N THR A 36 6.465 3.707 6.541 1.00 0.00 N ATOM 505 CA THR A 36 6.076 2.322 6.780 1.00 0.00 C ATOM 506 C THR A 36 5.408 2.176 8.135 1.00 0.00 C ATOM 507 O THR A 36 4.366 1.533 8.257 1.00 0.00 O ATOM 508 CB THR A 36 7.336 1.446 6.769 1.00 0.00 C ATOM 509 OG1 THR A 36 8.235 1.893 7.780 1.00 0.00 O ATOM 510 CG2 THR A 36 8.020 1.541 5.405 1.00 0.00 C ATOM 0 H THR A 36 7.339 3.819 6.028 1.00 0.00 H new ATOM 0 HA THR A 36 5.377 2.017 6.001 1.00 0.00 H new ATOM 0 HB THR A 36 7.055 0.411 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.039 1.332 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.914 0.917 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.335 1.197 4.630 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.299 2.576 5.209 1.00 0.00 H new ATOM 518 N ASP A 37 5.984 2.807 9.159 1.00 0.00 N ATOM 519 CA ASP A 37 5.412 2.749 10.500 1.00 0.00 C ATOM 520 C ASP A 37 4.665 4.039 10.833 1.00 0.00 C ATOM 521 O ASP A 37 4.532 4.406 12.001 1.00 0.00 O ATOM 522 CB ASP A 37 6.529 2.534 11.520 1.00 0.00 C ATOM 523 CG ASP A 37 5.934 2.284 12.901 1.00 0.00 C ATOM 524 OD1 ASP A 37 5.141 1.366 13.024 1.00 0.00 O ATOM 525 OD2 ASP A 37 6.280 3.015 13.816 1.00 0.00 O ATOM 0 H ASP A 37 6.839 3.359 9.085 1.00 0.00 H new ATOM 0 HA ASP A 37 4.705 1.920 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.146 1.686 11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.180 3.408 11.548 1.00 0.00 H new ATOM 530 N LEU A 38 4.179 4.719 9.806 1.00 0.00 N ATOM 531 CA LEU A 38 3.439 5.956 9.991 1.00 0.00 C ATOM 532 C LEU A 38 2.274 6.050 9.017 1.00 0.00 C ATOM 533 O LEU A 38 2.284 5.429 7.959 1.00 0.00 O ATOM 534 CB LEU A 38 4.378 7.168 9.785 1.00 0.00 C ATOM 535 CG LEU A 38 4.958 7.632 11.142 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.371 7.083 11.307 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.980 9.156 11.187 1.00 0.00 C ATOM 0 H LEU A 38 4.285 4.433 8.833 1.00 0.00 H new ATOM 0 HA LEU A 38 3.044 5.963 11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.189 6.898 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.830 7.986 9.317 1.00 0.00 H new ATOM 0 HG LEU A 38 4.335 7.259 11.955 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.779 7.410 12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.344 5.994 11.278 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.001 7.452 10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.388 9.486 12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.602 9.535 10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.965 9.538 11.075 1.00 0.00 H new ATOM 549 N PRO A 39 1.286 6.838 9.355 1.00 0.00 N ATOM 550 CA PRO A 39 0.094 7.050 8.488 1.00 0.00 C ATOM 551 C PRO A 39 0.454 7.772 7.190 1.00 0.00 C ATOM 552 O PRO A 39 1.559 8.289 7.043 1.00 0.00 O ATOM 553 CB PRO A 39 -0.850 7.897 9.359 1.00 0.00 C ATOM 554 CG PRO A 39 0.036 8.569 10.358 1.00 0.00 C ATOM 555 CD PRO A 39 1.192 7.610 10.610 1.00 0.00 C ATOM 0 HA PRO A 39 -0.357 6.110 8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.391 8.628 8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.597 7.274 9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.398 9.524 9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.505 8.778 11.281 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.118 8.145 10.821 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.996 6.963 11.465 1.00 0.00 H new ATOM 563 N LEU A 40 -0.496 7.826 6.272 1.00 0.00 N ATOM 564 CA LEU A 40 -0.283 8.509 5.001 1.00 0.00 C ATOM 565 C LEU A 40 -0.312 10.024 5.188 1.00 0.00 C ATOM 566 O LEU A 40 0.239 10.772 4.382 1.00 0.00 O ATOM 567 CB LEU A 40 -1.354 8.083 3.990 1.00 0.00 C ATOM 568 CG LEU A 40 -2.710 8.696 4.374 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.733 8.398 3.283 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.181 8.102 5.703 1.00 0.00 C ATOM 0 H LEU A 40 -1.420 7.408 6.379 1.00 0.00 H new ATOM 0 HA LEU A 40 0.699 8.229 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.070 8.406 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.431 6.996 3.965 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.604 9.776 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.694 8.833 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.395 8.828 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.842 7.319 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.143 8.537 5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.287 7.022 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.450 8.324 6.480 1.00 0.00 H new ATOM 582 N THR A 41 -0.998 10.468 6.239 1.00 0.00 N ATOM 583 CA THR A 41 -1.128 11.895 6.508 1.00 0.00 C ATOM 584 C THR A 41 0.238 12.550 6.470 1.00 0.00 C ATOM 585 O THR A 41 0.364 13.704 6.084 1.00 0.00 O ATOM 586 CB THR A 41 -1.768 12.114 7.880 1.00 0.00 C ATOM 587 OG1 THR A 41 -0.978 11.481 8.875 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.177 11.519 7.886 1.00 0.00 C ATOM 0 H THR A 41 -1.469 9.864 6.913 1.00 0.00 H new ATOM 0 HA THR A 41 -1.764 12.343 5.744 1.00 0.00 H new ATOM 0 HB THR A 41 -1.827 13.182 8.090 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.386 11.622 9.755 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.634 11.675 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.781 12.007 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.122 10.451 7.678 1.00 0.00 H new ATOM 596 N SER A 42 1.267 11.824 6.903 1.00 0.00 N ATOM 597 CA SER A 42 2.617 12.362 6.919 1.00 0.00 C ATOM 598 C SER A 42 2.926 13.087 5.614 1.00 0.00 C ATOM 599 O SER A 42 3.674 14.064 5.598 1.00 0.00 O ATOM 600 CB SER A 42 3.624 11.215 7.108 1.00 0.00 C ATOM 601 OG SER A 42 3.874 10.601 5.848 1.00 0.00 O ATOM 0 H SER A 42 1.188 10.866 7.245 1.00 0.00 H new ATOM 0 HA SER A 42 2.696 13.071 7.743 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.553 11.597 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.231 10.482 7.812 1.00 0.00 H new ATOM 0 HG SER A 42 3.022 10.371 5.422 1.00 0.00 H new ATOM 607 N TYR A 43 2.340 12.610 4.522 1.00 0.00 N ATOM 608 CA TYR A 43 2.559 13.228 3.218 1.00 0.00 C ATOM 609 C TYR A 43 1.814 14.549 3.105 1.00 0.00 C ATOM 610 O TYR A 43 2.045 15.321 2.178 1.00 0.00 O ATOM 611 CB TYR A 43 2.080 12.273 2.115 1.00 0.00 C ATOM 612 CG TYR A 43 2.440 10.850 2.475 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.628 10.569 3.167 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.581 9.803 2.115 1.00 0.00 C ATOM 615 CE1 TYR A 43 3.954 9.258 3.498 1.00 0.00 C ATOM 616 CE2 TYR A 43 1.912 8.485 2.445 1.00 0.00 C ATOM 617 CZ TYR A 43 3.096 8.213 3.138 1.00 0.00 C ATOM 618 OH TYR A 43 3.420 6.913 3.466 1.00 0.00 O ATOM 0 H TYR A 43 1.715 11.804 4.512 1.00 0.00 H new ATOM 0 HA TYR A 43 3.625 13.426 3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.001 12.363 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.538 12.544 1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.292 11.374 3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.665 10.014 1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.868 9.047 4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.253 7.677 2.165 1.00 0.00 H new ATOM 0 HH TYR A 43 2.811 6.590 4.162 1.00 0.00 H new ATOM 628 N GLY A 44 0.937 14.808 4.061 1.00 0.00 N ATOM 629 CA GLY A 44 0.172 16.047 4.071 1.00 0.00 C ATOM 630 C GLY A 44 -0.734 16.126 2.849 1.00 0.00 C ATOM 631 O GLY A 44 -1.111 17.211 2.413 1.00 0.00 O ATOM 0 H GLY A 44 0.736 14.180 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.428 16.103 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.851 16.900 4.083 1.00 0.00 H new ATOM 635 N LEU A 45 -1.070 14.972 2.296 1.00 0.00 N ATOM 636 CA LEU A 45 -1.925 14.925 1.119 1.00 0.00 C ATOM 637 C LEU A 45 -3.375 15.287 1.463 1.00 0.00 C ATOM 638 O LEU A 45 -3.912 14.860 2.481 1.00 0.00 O ATOM 639 CB LEU A 45 -1.877 13.517 0.503 1.00 0.00 C ATOM 640 CG LEU A 45 -2.740 12.548 1.326 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.675 11.151 0.723 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.214 12.510 2.764 1.00 0.00 C ATOM 0 H LEU A 45 -0.767 14.061 2.639 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.555 15.658 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.235 13.550 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.847 13.161 0.471 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.775 12.888 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.290 10.471 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.046 11.179 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.643 10.801 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.821 11.824 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.178 12.170 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.268 13.509 3.198 1.00 0.00 H new ATOM 654 N ASP A 46 -4.002 16.066 0.606 1.00 0.00 N ATOM 655 CA ASP A 46 -5.388 16.456 0.830 1.00 0.00 C ATOM 656 C ASP A 46 -6.289 15.222 0.839 1.00 0.00 C ATOM 657 O ASP A 46 -5.841 14.110 0.554 1.00 0.00 O ATOM 658 CB ASP A 46 -5.844 17.414 -0.268 1.00 0.00 C ATOM 659 CG ASP A 46 -5.121 18.748 -0.121 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.465 18.936 0.890 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.232 19.559 -1.025 1.00 0.00 O ATOM 0 H ASP A 46 -3.584 16.441 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.458 16.955 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.637 16.984 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.922 17.565 -0.207 1.00 0.00 H new ATOM 666 N SER A 47 -7.562 15.425 1.165 1.00 0.00 N ATOM 667 CA SER A 47 -8.518 14.326 1.205 1.00 0.00 C ATOM 668 C SER A 47 -8.827 13.823 -0.201 1.00 0.00 C ATOM 669 O SER A 47 -9.068 12.633 -0.406 1.00 0.00 O ATOM 670 CB SER A 47 -9.811 14.784 1.881 1.00 0.00 C ATOM 671 OG SER A 47 -10.333 15.906 1.183 1.00 0.00 O ATOM 0 H SER A 47 -7.953 16.336 1.404 1.00 0.00 H new ATOM 0 HA SER A 47 -8.076 13.510 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.539 13.973 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.618 15.046 2.921 1.00 0.00 H new ATOM 0 HG SER A 47 -11.163 16.201 1.612 1.00 0.00 H new ATOM 677 N VAL A 48 -8.817 14.735 -1.164 1.00 0.00 N ATOM 678 CA VAL A 48 -9.094 14.376 -2.550 1.00 0.00 C ATOM 679 C VAL A 48 -7.944 13.564 -3.133 1.00 0.00 C ATOM 680 O VAL A 48 -8.126 12.800 -4.080 1.00 0.00 O ATOM 681 CB VAL A 48 -9.313 15.639 -3.386 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.585 16.350 -2.915 1.00 0.00 C ATOM 683 CG2 VAL A 48 -8.115 16.574 -3.216 1.00 0.00 C ATOM 0 H VAL A 48 -8.621 15.725 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.999 13.768 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.417 15.366 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.741 17.250 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.439 15.684 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.481 16.624 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.269 17.474 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.012 16.846 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.209 16.069 -3.550 1.00 0.00 H new ATOM 693 N TYR A 49 -6.756 13.741 -2.566 1.00 0.00 N ATOM 694 CA TYR A 49 -5.586 13.020 -3.046 1.00 0.00 C ATOM 695 C TYR A 49 -5.762 11.514 -2.851 1.00 0.00 C ATOM 696 O TYR A 49 -5.541 10.730 -3.769 1.00 0.00 O ATOM 697 CB TYR A 49 -4.335 13.497 -2.288 1.00 0.00 C ATOM 698 CG TYR A 49 -3.178 13.663 -3.251 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.284 14.582 -4.306 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.018 12.902 -3.101 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.226 14.736 -5.205 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.963 13.055 -3.996 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.064 13.973 -5.051 1.00 0.00 C ATOM 704 OH TYR A 49 -0.018 14.124 -5.937 1.00 0.00 O ATOM 0 H TYR A 49 -6.580 14.370 -1.783 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.467 13.222 -4.111 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.541 14.443 -1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.073 12.777 -1.512 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.183 15.170 -4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.939 12.194 -2.290 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.305 15.443 -6.018 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.066 12.466 -3.878 1.00 0.00 H new ATOM 0 HH TYR A 49 0.712 13.521 -5.687 1.00 0.00 H new ATOM 714 N ALA A 50 -6.148 11.125 -1.641 1.00 0.00 N ATOM 715 CA ALA A 50 -6.335 9.713 -1.330 1.00 0.00 C ATOM 716 C ALA A 50 -7.195 9.047 -2.393 1.00 0.00 C ATOM 717 O ALA A 50 -6.936 7.911 -2.791 1.00 0.00 O ATOM 718 CB ALA A 50 -7.007 9.565 0.038 1.00 0.00 C ATOM 0 H ALA A 50 -6.336 11.761 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.358 9.229 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.144 8.507 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.379 10.021 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.978 10.061 0.022 1.00 0.00 H new ATOM 724 N LEU A 51 -8.215 9.759 -2.854 1.00 0.00 N ATOM 725 CA LEU A 51 -9.099 9.217 -3.871 1.00 0.00 C ATOM 726 C LEU A 51 -8.327 8.896 -5.148 1.00 0.00 C ATOM 727 O LEU A 51 -8.445 7.794 -5.701 1.00 0.00 O ATOM 728 CB LEU A 51 -10.204 10.233 -4.186 1.00 0.00 C ATOM 729 CG LEU A 51 -11.076 9.710 -5.348 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.552 9.982 -5.050 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.678 10.424 -6.648 1.00 0.00 C ATOM 0 H LEU A 51 -8.447 10.702 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.539 8.296 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.820 10.400 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.763 11.193 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.922 8.637 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.164 9.611 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.837 9.474 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.709 11.055 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.293 10.055 -7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.830 11.497 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.628 10.227 -6.865 1.00 0.00 H new ATOM 743 N SER A 52 -7.534 9.856 -5.611 1.00 0.00 N ATOM 744 CA SER A 52 -6.746 9.658 -6.822 1.00 0.00 C ATOM 745 C SER A 52 -5.661 8.614 -6.591 1.00 0.00 C ATOM 746 O SER A 52 -5.482 7.696 -7.394 1.00 0.00 O ATOM 747 CB SER A 52 -6.105 10.982 -7.243 1.00 0.00 C ATOM 748 OG SER A 52 -5.420 10.801 -8.477 1.00 0.00 O ATOM 0 H SER A 52 -7.420 10.770 -5.172 1.00 0.00 H new ATOM 0 HA SER A 52 -7.407 9.305 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.869 11.752 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.411 11.324 -6.475 1.00 0.00 H new ATOM 0 HG SER A 52 -5.009 11.648 -8.750 1.00 0.00 H new ATOM 754 N ILE A 53 -4.934 8.758 -5.489 1.00 0.00 N ATOM 755 CA ILE A 53 -3.865 7.820 -5.171 1.00 0.00 C ATOM 756 C ILE A 53 -4.420 6.420 -4.961 1.00 0.00 C ATOM 757 O ILE A 53 -4.037 5.482 -5.649 1.00 0.00 O ATOM 758 CB ILE A 53 -3.141 8.275 -3.897 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.676 9.733 -4.062 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.926 7.371 -3.642 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.334 9.775 -4.805 1.00 0.00 C ATOM 0 H ILE A 53 -5.063 9.506 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.166 7.798 -6.007 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.823 8.207 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.424 10.302 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.575 10.204 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.414 7.697 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.259 6.340 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.242 7.434 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.013 10.810 -4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.586 9.222 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.449 9.322 -5.790 1.00 0.00 H new ATOM 773 N ALA A 54 -5.351 6.290 -4.023 1.00 0.00 N ATOM 774 CA ALA A 54 -5.953 4.996 -3.740 1.00 0.00 C ATOM 775 C ALA A 54 -6.418 4.331 -5.026 1.00 0.00 C ATOM 776 O ALA A 54 -6.270 3.126 -5.187 1.00 0.00 O ATOM 777 CB ALA A 54 -7.143 5.169 -2.795 1.00 0.00 C ATOM 0 H ALA A 54 -5.702 7.058 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.202 4.363 -3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.588 4.196 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.804 5.619 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.886 5.816 -3.261 1.00 0.00 H new ATOM 783 N ALA A 55 -6.964 5.132 -5.940 1.00 0.00 N ATOM 784 CA ALA A 55 -7.434 4.607 -7.218 1.00 0.00 C ATOM 785 C ALA A 55 -6.266 4.081 -8.049 1.00 0.00 C ATOM 786 O ALA A 55 -6.385 3.073 -8.732 1.00 0.00 O ATOM 787 CB ALA A 55 -8.167 5.702 -7.993 1.00 0.00 C ATOM 0 H ALA A 55 -7.090 6.137 -5.820 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.119 3.782 -7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.515 5.303 -8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.021 6.050 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.488 6.535 -8.175 1.00 0.00 H new ATOM 793 N GLU A 56 -5.145 4.782 -7.985 1.00 0.00 N ATOM 794 CA GLU A 56 -3.959 4.376 -8.735 1.00 0.00 C ATOM 795 C GLU A 56 -3.306 3.151 -8.101 1.00 0.00 C ATOM 796 O GLU A 56 -2.978 2.169 -8.786 1.00 0.00 O ATOM 797 CB GLU A 56 -2.951 5.525 -8.787 1.00 0.00 C ATOM 798 CG GLU A 56 -3.471 6.622 -9.714 1.00 0.00 C ATOM 799 CD GLU A 56 -2.493 7.791 -9.742 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.947 8.106 -8.698 1.00 0.00 O ATOM 801 OE2 GLU A 56 -2.299 8.351 -10.809 1.00 0.00 O ATOM 0 H GLU A 56 -5.028 5.628 -7.428 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.270 4.120 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.790 5.926 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.987 5.161 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.605 6.225 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.449 6.964 -9.374 1.00 0.00 H new ATOM 808 N LEU A 57 -3.114 3.207 -6.789 1.00 0.00 N ATOM 809 CA LEU A 57 -2.486 2.098 -6.081 1.00 0.00 C ATOM 810 C LEU A 57 -3.302 0.821 -6.229 1.00 0.00 C ATOM 811 O LEU A 57 -2.747 -0.230 -6.513 1.00 0.00 O ATOM 812 CB LEU A 57 -2.360 2.453 -4.584 1.00 0.00 C ATOM 813 CG LEU A 57 -1.081 3.264 -4.345 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.089 4.512 -5.218 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.996 3.665 -2.874 1.00 0.00 C ATOM 0 H LEU A 57 -3.380 3.996 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.499 1.929 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.230 3.026 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.340 1.542 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.216 2.654 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.178 5.084 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.140 4.222 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.955 5.125 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.086 4.241 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.863 4.271 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.978 2.769 -2.253 1.00 0.00 H new ATOM 827 N GLU A 58 -4.602 0.925 -6.025 1.00 0.00 N ATOM 828 CA GLU A 58 -5.476 -0.239 -6.124 1.00 0.00 C ATOM 829 C GLU A 58 -5.591 -0.706 -7.570 1.00 0.00 C ATOM 830 O GLU A 58 -5.657 -1.903 -7.842 1.00 0.00 O ATOM 831 CB GLU A 58 -6.854 0.098 -5.573 1.00 0.00 C ATOM 832 CG GLU A 58 -7.511 1.183 -6.451 1.00 0.00 C ATOM 833 CD GLU A 58 -8.470 0.555 -7.451 1.00 0.00 C ATOM 834 OE1 GLU A 58 -9.612 0.341 -7.086 1.00 0.00 O ATOM 835 OE2 GLU A 58 -8.046 0.276 -8.550 1.00 0.00 O ATOM 0 H GLU A 58 -5.078 1.796 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.043 -1.048 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.478 -0.796 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.770 0.450 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.047 1.893 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.742 1.745 -6.980 1.00 0.00 H new ATOM 842 N ASP A 59 -5.607 0.247 -8.495 1.00 0.00 N ATOM 843 CA ASP A 59 -5.713 -0.079 -9.913 1.00 0.00 C ATOM 844 C ASP A 59 -4.531 -0.933 -10.347 1.00 0.00 C ATOM 845 O ASP A 59 -4.650 -1.743 -11.266 1.00 0.00 O ATOM 846 CB ASP A 59 -5.752 1.214 -10.743 1.00 0.00 C ATOM 847 CG ASP A 59 -7.179 1.755 -10.819 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.099 0.955 -10.808 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.329 2.961 -10.896 1.00 0.00 O ATOM 0 H ASP A 59 -5.548 1.245 -8.291 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.633 -0.641 -10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.096 1.961 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.376 1.020 -11.747 1.00 0.00 H new ATOM 854 N HIS A 60 -3.401 -0.748 -9.683 1.00 0.00 N ATOM 855 CA HIS A 60 -2.210 -1.520 -10.011 1.00 0.00 C ATOM 856 C HIS A 60 -2.389 -2.982 -9.616 1.00 0.00 C ATOM 857 O HIS A 60 -1.893 -3.884 -10.292 1.00 0.00 O ATOM 858 CB HIS A 60 -0.985 -0.923 -9.298 1.00 0.00 C ATOM 859 CG HIS A 60 -0.463 0.247 -10.079 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.294 1.255 -10.542 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.800 0.579 -10.495 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.527 2.136 -11.205 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.758 1.772 -11.206 1.00 0.00 N ATOM 0 H HIS A 60 -3.282 -0.079 -8.922 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.053 -1.474 -11.089 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.257 -0.607 -8.291 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.207 -1.680 -9.196 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.303 1.316 -10.404 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.692 0.002 -10.300 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.904 3.030 -11.680 1.00 0.00 H new ATOM 872 N LEU A 61 -3.064 -3.212 -8.497 1.00 0.00 N ATOM 873 CA LEU A 61 -3.275 -4.562 -7.990 1.00 0.00 C ATOM 874 C LEU A 61 -4.663 -5.032 -8.288 1.00 0.00 C ATOM 875 O LEU A 61 -5.145 -5.972 -7.670 1.00 0.00 O ATOM 876 CB LEU A 61 -3.017 -4.595 -6.468 1.00 0.00 C ATOM 877 CG LEU A 61 -1.587 -4.124 -6.153 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.596 -4.709 -7.162 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.531 -2.602 -6.207 1.00 0.00 C ATOM 0 H LEU A 61 -3.476 -2.478 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.575 -5.233 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.737 -3.956 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.164 -5.607 -6.090 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.315 -4.468 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.411 -4.365 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.629 -5.797 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.863 -4.381 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.518 -2.267 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.814 -2.263 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.221 -2.186 -5.472 1.00 0.00 H new ATOM 891 N ASP A 62 -5.299 -4.401 -9.269 1.00 0.00 N ATOM 892 CA ASP A 62 -6.642 -4.787 -9.661 1.00 0.00 C ATOM 893 C ASP A 62 -7.510 -5.076 -8.448 1.00 0.00 C ATOM 894 O ASP A 62 -7.943 -6.210 -8.242 1.00 0.00 O ATOM 895 CB ASP A 62 -6.589 -6.024 -10.552 1.00 0.00 C ATOM 896 CG ASP A 62 -6.014 -5.660 -11.924 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.954 -4.478 -12.225 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.642 -6.566 -12.652 1.00 0.00 O ATOM 0 H ASP A 62 -4.906 -3.625 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.082 -3.954 -10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.974 -6.793 -10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.589 -6.442 -10.667 1.00 0.00 H new ATOM 903 N VAL A 63 -7.751 -4.052 -7.644 1.00 0.00 N ATOM 904 CA VAL A 63 -8.562 -4.207 -6.442 1.00 0.00 C ATOM 905 C VAL A 63 -9.273 -2.914 -6.102 1.00 0.00 C ATOM 906 O VAL A 63 -8.889 -1.857 -6.561 1.00 0.00 O ATOM 907 CB VAL A 63 -7.669 -4.613 -5.257 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.391 -6.110 -5.311 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.341 -3.852 -5.332 1.00 0.00 C ATOM 0 H VAL A 63 -7.399 -3.107 -7.799 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.305 -4.982 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.180 -4.371 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.758 -6.393 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.332 -6.657 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.883 -6.352 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.709 -4.140 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.835 -4.094 -6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.533 -2.780 -5.291 1.00 0.00 H new ATOM 919 N SER A 64 -10.335 -3.010 -5.309 1.00 0.00 N ATOM 920 CA SER A 64 -11.099 -1.827 -4.903 1.00 0.00 C ATOM 921 C SER A 64 -11.090 -1.712 -3.385 1.00 0.00 C ATOM 922 O SER A 64 -11.184 -2.712 -2.672 1.00 0.00 O ATOM 923 CB SER A 64 -12.536 -1.918 -5.399 1.00 0.00 C ATOM 924 OG SER A 64 -13.284 -0.844 -4.844 1.00 0.00 O ATOM 0 H SER A 64 -10.689 -3.890 -4.934 1.00 0.00 H new ATOM 0 HA SER A 64 -10.635 -0.944 -5.343 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.562 -1.873 -6.488 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.975 -2.873 -5.109 1.00 0.00 H new ATOM 0 HG SER A 64 -14.211 -0.893 -5.159 1.00 0.00 H new ATOM 930 N LEU A 65 -10.964 -0.484 -2.889 1.00 0.00 N ATOM 931 CA LEU A 65 -10.930 -0.244 -1.441 1.00 0.00 C ATOM 932 C LEU A 65 -12.199 0.465 -0.997 1.00 0.00 C ATOM 933 O LEU A 65 -12.919 1.048 -1.812 1.00 0.00 O ATOM 934 CB LEU A 65 -9.705 0.611 -1.071 1.00 0.00 C ATOM 935 CG LEU A 65 -8.620 0.432 -2.140 1.00 0.00 C ATOM 936 CD1 LEU A 65 -8.993 1.252 -3.395 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.279 0.915 -1.588 1.00 0.00 C ATOM 0 H LEU A 65 -10.884 0.358 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.860 -1.206 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.989 1.661 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.322 0.315 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.542 -0.621 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.222 1.125 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.949 0.904 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.072 2.307 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.506 0.789 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.354 1.969 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.018 0.333 -0.704 1.00 0.00 H new ATOM 949 N ASP A 66 -12.470 0.414 0.303 1.00 0.00 N ATOM 950 CA ASP A 66 -13.653 1.056 0.842 1.00 0.00 C ATOM 951 C ASP A 66 -13.322 2.443 1.395 1.00 0.00 C ATOM 952 O ASP A 66 -12.178 2.732 1.719 1.00 0.00 O ATOM 953 CB ASP A 66 -14.262 0.180 1.955 1.00 0.00 C ATOM 954 CG ASP A 66 -15.614 -0.388 1.514 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.371 0.343 0.896 1.00 0.00 O ATOM 956 OD2 ASP A 66 -15.858 -1.546 1.782 1.00 0.00 O ATOM 0 H ASP A 66 -11.890 -0.062 0.994 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.376 1.174 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.580 -0.635 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.388 0.771 2.862 1.00 0.00 H new ATOM 961 N PRO A 67 -14.308 3.285 1.527 1.00 0.00 N ATOM 962 CA PRO A 67 -14.120 4.665 2.063 1.00 0.00 C ATOM 963 C PRO A 67 -13.495 4.669 3.458 1.00 0.00 C ATOM 964 O PRO A 67 -12.310 4.955 3.614 1.00 0.00 O ATOM 965 CB PRO A 67 -15.551 5.246 2.092 1.00 0.00 C ATOM 966 CG PRO A 67 -16.339 4.404 1.145 1.00 0.00 C ATOM 967 CD PRO A 67 -15.716 3.020 1.188 1.00 0.00 C ATOM 0 HA PRO A 67 -13.432 5.249 1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.971 5.206 3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.557 6.292 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.388 4.368 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.303 4.816 0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.196 2.387 1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.808 2.509 0.230 1.00 0.00 H new ATOM 975 N THR A 68 -14.303 4.355 4.466 1.00 0.00 N ATOM 976 CA THR A 68 -13.827 4.330 5.839 1.00 0.00 C ATOM 977 C THR A 68 -12.752 3.267 5.999 1.00 0.00 C ATOM 978 O THR A 68 -11.995 3.276 6.970 1.00 0.00 O ATOM 979 CB THR A 68 -14.989 4.042 6.792 1.00 0.00 C ATOM 980 OG1 THR A 68 -14.486 3.900 8.114 1.00 0.00 O ATOM 981 CG2 THR A 68 -15.693 2.753 6.368 1.00 0.00 C ATOM 0 H THR A 68 -15.288 4.115 4.355 1.00 0.00 H new ATOM 0 HA THR A 68 -13.402 5.304 6.081 1.00 0.00 H new ATOM 0 HB THR A 68 -15.702 4.866 6.759 1.00 0.00 H new ATOM 0 HG1 THR A 68 -15.227 3.717 8.728 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.520 2.550 7.048 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.076 2.864 5.354 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.985 1.925 6.400 1.00 0.00 H new ATOM 989 N LEU A 69 -12.689 2.351 5.039 1.00 0.00 N ATOM 990 CA LEU A 69 -11.698 1.307 5.091 1.00 0.00 C ATOM 991 C LEU A 69 -10.299 1.884 4.891 1.00 0.00 C ATOM 992 O LEU A 69 -9.349 1.525 5.586 1.00 0.00 O ATOM 993 CB LEU A 69 -11.992 0.243 4.023 1.00 0.00 C ATOM 994 CG LEU A 69 -10.923 -0.865 4.052 1.00 0.00 C ATOM 995 CD1 LEU A 69 -9.624 -0.362 3.397 1.00 0.00 C ATOM 996 CD2 LEU A 69 -10.666 -1.289 5.502 1.00 0.00 C ATOM 0 H LEU A 69 -13.308 2.318 4.229 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.740 0.839 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.977 -0.190 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.016 0.707 3.037 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.279 -1.728 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.874 -1.153 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.823 -0.083 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.254 0.506 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.909 -2.073 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.315 -0.431 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.590 -1.665 5.940 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.171 2.774 3.920 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.876 3.383 3.626 1.00 0.00 C ATOM 1010 C ILE A 70 -8.382 4.161 4.837 1.00 0.00 C ATOM 1011 O ILE A 70 -7.209 4.083 5.199 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.007 4.322 2.423 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.231 3.499 1.149 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.728 5.152 2.276 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.769 4.406 0.039 1.00 0.00 C ATOM 0 H ILE A 70 -10.937 3.091 3.325 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.157 2.598 3.391 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.856 4.988 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.296 3.037 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.935 2.691 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.824 5.819 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.571 5.741 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.878 4.487 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.927 3.819 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.714 4.847 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.049 5.199 -0.164 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.285 4.914 5.457 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.929 5.703 6.629 1.00 0.00 C ATOM 1029 C TRP A 71 -8.697 4.795 7.830 1.00 0.00 C ATOM 1030 O TRP A 71 -8.280 5.252 8.896 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.039 6.708 6.944 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.982 7.839 5.967 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.869 8.046 4.967 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -9.003 8.913 5.877 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.498 9.183 4.272 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.352 9.754 4.795 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.856 9.239 6.626 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.592 10.876 4.464 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -7.088 10.369 6.294 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.457 11.185 5.217 1.00 0.00 C ATOM 0 H TRP A 71 -10.260 4.994 5.170 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.008 6.245 6.415 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.012 6.219 6.893 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.924 7.085 7.960 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.726 7.426 4.747 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.008 9.555 3.471 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.565 8.618 7.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.879 11.501 3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.208 10.609 6.873 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.864 12.053 4.969 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.962 3.504 7.650 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.767 2.530 8.728 1.00 0.00 C ATOM 1053 C ASP A 72 -7.368 1.940 8.646 1.00 0.00 C ATOM 1054 O ASP A 72 -6.772 1.579 9.662 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.802 1.417 8.630 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.795 0.591 9.909 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.776 0.584 10.583 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.809 -0.020 10.200 1.00 0.00 O ATOM 0 H ASP A 72 -9.310 3.107 6.777 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.887 3.039 9.684 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.792 1.842 8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.584 0.779 7.773 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.836 1.842 7.424 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.489 1.300 7.215 1.00 0.00 C ATOM 1065 C HIS A 73 -4.581 2.360 6.600 1.00 0.00 C ATOM 1066 O HIS A 73 -4.010 2.161 5.532 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.555 0.081 6.300 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.701 -0.796 6.713 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.297 -0.699 7.959 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.375 -1.793 6.055 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.281 -1.614 8.008 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.369 -2.307 6.876 1.00 0.00 N ATOM 0 H HIS A 73 -7.313 2.129 6.569 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.078 1.002 8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.680 0.397 5.264 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.620 -0.477 6.352 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.164 -2.127 5.050 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.922 -1.768 8.863 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.026 -3.056 6.658 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.436 3.478 7.257 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.574 4.594 6.773 1.00 0.00 C ATOM 1083 C PRO A 74 -2.095 4.249 6.850 1.00 0.00 C ATOM 1084 O PRO A 74 -1.245 5.030 6.421 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.911 5.750 7.728 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.389 5.096 8.981 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.081 3.811 8.539 1.00 0.00 C ATOM 0 HA PRO A 74 -3.758 4.829 5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.036 6.372 7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.678 6.399 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.557 4.882 9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.077 5.745 9.523 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.948 3.014 9.271 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.154 3.957 8.419 1.00 0.00 H new ATOM 1095 N THR A 75 -1.788 3.079 7.397 1.00 0.00 N ATOM 1096 CA THR A 75 -0.398 2.644 7.534 1.00 0.00 C ATOM 1097 C THR A 75 -0.100 1.477 6.600 1.00 0.00 C ATOM 1098 O THR A 75 -0.998 0.729 6.217 1.00 0.00 O ATOM 1099 CB THR A 75 -0.133 2.224 8.985 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.231 1.458 9.465 1.00 0.00 O ATOM 1101 CG2 THR A 75 0.038 3.469 9.860 1.00 0.00 C ATOM 0 H THR A 75 -2.477 2.416 7.752 1.00 0.00 H new ATOM 0 HA THR A 75 0.254 3.475 7.266 1.00 0.00 H new ATOM 0 HB THR A 75 0.777 1.625 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.061 1.188 10.392 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.226 3.167 10.890 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.880 4.057 9.495 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.870 4.070 9.818 1.00 0.00 H new ATOM 1109 N ILE A 76 1.170 1.323 6.253 1.00 0.00 N ATOM 1110 CA ILE A 76 1.583 0.237 5.380 1.00 0.00 C ATOM 1111 C ILE A 76 1.375 -1.108 6.057 1.00 0.00 C ATOM 1112 O ILE A 76 0.913 -2.063 5.431 1.00 0.00 O ATOM 1113 CB ILE A 76 3.059 0.400 4.994 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.288 1.816 4.444 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.436 -0.637 3.924 1.00 0.00 C ATOM 1116 CD1 ILE A 76 2.278 2.118 3.334 1.00 0.00 C ATOM 0 H ILE A 76 1.927 1.933 6.561 1.00 0.00 H new ATOM 0 HA ILE A 76 0.970 0.273 4.480 1.00 0.00 H new ATOM 0 HB ILE A 76 3.682 0.245 5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.188 2.547 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.303 1.905 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.485 -0.516 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.276 -1.641 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.815 -0.490 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.449 3.124 2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.399 1.396 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.266 2.049 3.734 1.00 0.00 H new ATOM 1128 N ASP A 77 1.729 -1.183 7.331 1.00 0.00 N ATOM 1129 CA ASP A 77 1.587 -2.428 8.078 1.00 0.00 C ATOM 1130 C ASP A 77 0.167 -2.972 7.934 1.00 0.00 C ATOM 1131 O ASP A 77 -0.027 -4.159 7.653 1.00 0.00 O ATOM 1132 CB ASP A 77 1.892 -2.170 9.563 1.00 0.00 C ATOM 1133 CG ASP A 77 3.393 -2.244 9.813 1.00 0.00 C ATOM 1134 OD1 ASP A 77 4.131 -2.266 8.844 1.00 0.00 O ATOM 1135 OD2 ASP A 77 3.779 -2.274 10.968 1.00 0.00 O ATOM 0 H ASP A 77 2.114 -0.405 7.867 1.00 0.00 H new ATOM 0 HA ASP A 77 2.287 -3.163 7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.516 -1.189 9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.376 -2.905 10.181 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.822 -2.101 8.122 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.214 -2.513 8.003 1.00 0.00 C ATOM 1142 C ALA A 78 -2.555 -2.830 6.553 1.00 0.00 C ATOM 1143 O ALA A 78 -3.192 -3.842 6.259 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.131 -1.401 8.522 1.00 0.00 C ATOM 0 H ALA A 78 -0.686 -1.117 8.355 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.364 -3.412 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.171 -1.715 8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.903 -1.200 9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.972 -0.496 7.936 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.135 -1.954 5.648 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.415 -2.154 4.238 1.00 0.00 C ATOM 1152 C LEU A 79 -1.857 -3.492 3.762 1.00 0.00 C ATOM 1153 O LEU A 79 -2.548 -4.254 3.088 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.777 -1.007 3.418 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.769 -0.511 2.357 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.255 -1.701 1.499 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -3.980 0.148 3.060 1.00 0.00 C ATOM 0 H LEU A 79 -1.606 -1.109 5.865 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.495 -2.156 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.498 -0.187 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.862 -1.356 2.939 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.277 0.218 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.959 -1.344 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.402 -2.166 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.748 -2.433 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.688 0.502 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.469 -0.583 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.638 0.990 3.662 1.00 0.00 H new ATOM 1169 N SER A 80 -0.610 -3.762 4.117 1.00 0.00 N ATOM 1170 CA SER A 80 0.030 -5.008 3.719 1.00 0.00 C ATOM 1171 C SER A 80 -0.732 -6.199 4.285 1.00 0.00 C ATOM 1172 O SER A 80 -0.984 -7.173 3.581 1.00 0.00 O ATOM 1173 CB SER A 80 1.473 -5.036 4.220 1.00 0.00 C ATOM 1174 OG SER A 80 1.479 -4.894 5.634 1.00 0.00 O ATOM 0 H SER A 80 -0.024 -3.141 4.675 1.00 0.00 H new ATOM 0 HA SER A 80 0.025 -5.070 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.952 -5.973 3.934 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.046 -4.232 3.759 1.00 0.00 H new ATOM 0 HG SER A 80 0.691 -4.383 5.915 1.00 0.00 H new ATOM 1180 N THR A 81 -1.101 -6.109 5.560 1.00 0.00 N ATOM 1181 CA THR A 81 -1.837 -7.188 6.208 1.00 0.00 C ATOM 1182 C THR A 81 -3.125 -7.483 5.443 1.00 0.00 C ATOM 1183 O THR A 81 -3.510 -8.644 5.253 1.00 0.00 O ATOM 1184 CB THR A 81 -2.179 -6.792 7.648 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.977 -6.574 8.373 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.979 -7.915 8.311 1.00 0.00 C ATOM 0 H THR A 81 -0.904 -5.307 6.159 1.00 0.00 H new ATOM 0 HA THR A 81 -1.213 -8.082 6.214 1.00 0.00 H new ATOM 0 HB THR A 81 -2.774 -5.879 7.644 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.537 -5.764 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.222 -7.633 9.335 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.900 -8.084 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.386 -8.829 8.318 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.808 -6.433 5.013 1.00 0.00 N ATOM 1195 CA ALA A 82 -5.049 -6.603 4.278 1.00 0.00 C ATOM 1196 C ALA A 82 -4.791 -7.188 2.896 1.00 0.00 C ATOM 1197 O ALA A 82 -5.531 -8.065 2.425 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.748 -5.245 4.121 1.00 0.00 C ATOM 0 H ALA A 82 -3.526 -5.464 5.159 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.682 -7.290 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.679 -5.376 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.965 -4.832 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.097 -4.561 3.576 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.742 -6.702 2.232 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.424 -7.173 0.891 1.00 0.00 C ATOM 1206 C LEU A 83 -3.112 -8.666 0.894 1.00 0.00 C ATOM 1207 O LEU A 83 -3.673 -9.425 0.109 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.210 -6.387 0.346 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.356 -6.206 -1.167 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.136 -5.470 -1.709 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.472 -7.577 -1.836 1.00 0.00 C ATOM 0 H LEU A 83 -3.108 -5.992 2.598 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.291 -7.008 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.144 -5.415 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.287 -6.921 0.572 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.253 -5.625 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.238 -5.340 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.059 -4.493 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.238 -6.050 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.576 -7.448 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.577 -8.162 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.346 -8.099 -1.447 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.216 -9.074 1.788 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.843 -10.479 1.889 1.00 0.00 C ATOM 1225 C VAL A 84 -3.064 -11.312 2.266 1.00 0.00 C ATOM 1226 O VAL A 84 -3.167 -12.481 1.898 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.743 -10.657 2.935 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.281 -10.280 4.312 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.283 -12.115 2.947 1.00 0.00 C ATOM 0 H VAL A 84 -1.739 -8.458 2.446 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.466 -10.817 0.924 1.00 0.00 H new ATOM 0 HB VAL A 84 0.100 -10.012 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.496 -10.407 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.607 -9.240 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.125 -10.923 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.502 -12.243 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.126 -12.761 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.104 -12.383 1.964 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.990 -10.702 3.009 1.00 0.00 N ATOM 1240 CA ALA A 85 -5.205 -11.393 3.419 1.00 0.00 C ATOM 1241 C ALA A 85 -6.020 -11.790 2.193 1.00 0.00 C ATOM 1242 O ALA A 85 -6.638 -12.854 2.159 1.00 0.00 O ATOM 1243 CB ALA A 85 -6.042 -10.488 4.321 1.00 0.00 C ATOM 0 H ALA A 85 -3.919 -9.738 3.335 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.928 -12.292 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.948 -11.013 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.465 -10.223 5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.311 -9.582 3.778 1.00 0.00 H new ATOM 1249 N GLU A 86 -6.014 -10.926 1.180 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.755 -11.203 -0.050 1.00 0.00 C ATOM 1251 C GLU A 86 -6.332 -12.545 -0.638 1.00 0.00 C ATOM 1252 O GLU A 86 -7.063 -13.150 -1.422 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.483 -10.104 -1.082 1.00 0.00 C ATOM 1254 CG GLU A 86 -6.939 -8.758 -0.524 1.00 0.00 C ATOM 1255 CD GLU A 86 -8.454 -8.750 -0.354 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -9.107 -9.556 -0.998 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -8.940 -7.947 0.424 1.00 0.00 O ATOM 0 H GLU A 86 -5.511 -10.039 1.185 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.818 -11.233 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.420 -10.070 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.011 -10.323 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.456 -8.570 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.636 -7.955 -1.196 1.00 0.00 H new ATOM 1264 N LEU A 87 -5.150 -13.017 -0.242 1.00 0.00 N ATOM 1265 CA LEU A 87 -4.633 -14.301 -0.723 1.00 0.00 C ATOM 1266 C LEU A 87 -4.530 -15.311 0.411 1.00 0.00 C ATOM 1267 O LEU A 87 -4.453 -16.517 0.172 1.00 0.00 O ATOM 1268 CB LEU A 87 -3.263 -14.091 -1.360 1.00 0.00 C ATOM 1269 CG LEU A 87 -3.415 -13.247 -2.637 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -2.088 -12.557 -2.949 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -3.802 -14.152 -3.814 1.00 0.00 C ATOM 0 H LEU A 87 -4.533 -12.532 0.409 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.326 -14.697 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.596 -13.590 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.810 -15.053 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.193 -12.499 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.193 -11.958 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.809 -11.911 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.313 -13.309 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.909 -13.550 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.025 -14.901 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.747 -14.649 -3.596 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.513 -14.812 1.643 1.00 0.00 N ATOM 1284 CA ARG A 88 -4.401 -15.681 2.802 1.00 0.00 C ATOM 1285 C ARG A 88 -5.678 -16.480 3.001 1.00 0.00 C ATOM 1286 O ARG A 88 -6.743 -16.091 2.530 1.00 0.00 O ATOM 1287 CB ARG A 88 -4.115 -14.846 4.054 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.398 -15.702 5.094 1.00 0.00 C ATOM 1289 CD ARG A 88 -1.954 -15.989 4.639 1.00 0.00 C ATOM 1290 NE ARG A 88 -1.061 -16.006 5.787 1.00 0.00 N ATOM 1291 CZ ARG A 88 -1.036 -17.036 6.623 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -1.827 -18.055 6.428 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -0.222 -17.026 7.642 1.00 0.00 N ATOM 0 H ARG A 88 -4.575 -13.817 1.861 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.578 -16.376 2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.502 -13.983 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.048 -14.461 4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.389 -15.189 6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.935 -16.639 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.911 -16.947 4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.631 -15.228 3.928 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.443 -15.212 5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.465 -18.060 5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.807 -18.846 7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.394 -16.227 7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.201 -17.817 8.286 1.00 0.00 H new ATOM 1307 N SER A 89 -5.564 -17.599 3.709 1.00 0.00 N ATOM 1308 CA SER A 89 -6.723 -18.450 3.967 1.00 0.00 C ATOM 1309 C SER A 89 -6.666 -19.025 5.375 1.00 0.00 C ATOM 1310 O SER A 89 -7.698 -19.289 5.992 1.00 0.00 O ATOM 1311 CB SER A 89 -6.763 -19.591 2.951 1.00 0.00 C ATOM 1312 OG SER A 89 -6.506 -19.072 1.652 1.00 0.00 O ATOM 0 H SER A 89 -4.690 -17.937 4.112 1.00 0.00 H new ATOM 0 HA SER A 89 -7.624 -17.843 3.873 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.021 -20.347 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.737 -20.080 2.974 1.00 0.00 H new ATOM 0 HG SER A 89 -6.529 -19.801 0.998 1.00 0.00 H new ATOM 1318 N ALA A 90 -5.452 -19.222 5.882 1.00 0.00 N ATOM 1319 CA ALA A 90 -5.272 -19.773 7.224 1.00 0.00 C ATOM 1320 C ALA A 90 -5.209 -18.654 8.259 1.00 0.00 C ATOM 1321 O ALA A 90 -5.440 -18.939 9.422 1.00 0.00 O ATOM 1322 CB ALA A 90 -3.984 -20.596 7.278 1.00 0.00 C ATOM 1323 OXT ALA A 90 -4.930 -17.531 7.873 1.00 0.00 O ATOM 0 H ALA A 90 -4.584 -19.011 5.389 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.123 -20.414 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.855 -21.004 8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.044 -21.413 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.134 -19.958 7.034 1.00 0.00 H new TER 1329 ALA A 90