USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 73 ASN : amide:sc= 1.02 K(o=-2.9,f=-4.1) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -3.93! C(o=-7.8!,f=-2.9!) USER MOD Set 2.1: A 24 ASN : amide:sc= -1.81 K(o=-3.5,f=-7.7!) USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= 0.989 F(o=-4.7,f=-3.5) USER MOD Set 2.3: A 66 GLN : amide:sc= -2.66! C(o=-3.5!,f=-7.6!) USER MOD Single : A 1 SER N :NH3+ 175:sc= 1.34 (180deg=1.3) USER MOD Single : A 1 SER OG : rot -39:sc= 0.555 USER MOD Single : A 2 THR OG1 : rot -0:sc= -0.513! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0.0837 (180deg=0.0837) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -8.42! C(o=-8.4!,f=-22!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 170:sc= -1.46 USER MOD Single : A 64 THR OG1 : rot -114:sc= -4.36! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -4.39! C(o=-4.4!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.187 -10.455 -11.546 1.00 0.00 N ATOM 2 CA SER A 1 -7.180 -10.536 -12.590 1.00 0.00 C ATOM 3 C SER A 1 -5.976 -9.665 -12.226 1.00 0.00 C ATOM 4 O SER A 1 -6.139 -8.560 -11.709 1.00 0.00 O ATOM 5 CB SER A 1 -7.754 -10.110 -13.943 1.00 0.00 C ATOM 6 OG SER A 1 -8.078 -8.723 -13.972 1.00 0.00 O ATOM 0 H1 SER A 1 -9.035 -10.981 -11.840 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.811 -10.867 -10.668 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.437 -9.459 -11.382 1.00 0.00 H new ATOM 0 HA SER A 1 -6.857 -11.574 -12.673 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.032 -10.330 -14.729 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.648 -10.696 -14.158 1.00 0.00 H new ATOM 0 HG SER A 1 -8.459 -8.458 -13.109 1.00 0.00 H new ATOM 12 N THR A 2 -4.795 -10.193 -12.510 1.00 0.00 N ATOM 13 CA THR A 2 -3.565 -9.477 -12.218 1.00 0.00 C ATOM 14 C THR A 2 -3.550 -9.015 -10.760 1.00 0.00 C ATOM 15 O THR A 2 -4.556 -9.122 -10.060 1.00 0.00 O ATOM 16 CB THR A 2 -3.438 -8.328 -13.221 1.00 0.00 C ATOM 17 OG1 THR A 2 -4.399 -7.374 -12.779 1.00 0.00 O ATOM 18 CG2 THR A 2 -3.916 -8.717 -14.621 1.00 0.00 C ATOM 0 H THR A 2 -4.664 -11.109 -12.940 1.00 0.00 H new ATOM 0 HA THR A 2 -2.695 -10.124 -12.330 1.00 0.00 H new ATOM 0 HB THR A 2 -2.399 -8.002 -13.270 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.857 -7.716 -11.983 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.804 -7.866 -15.293 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.320 -9.552 -14.990 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.965 -9.011 -14.579 1.00 0.00 H new ATOM 26 N ILE A 3 -2.397 -8.512 -10.344 1.00 0.00 N ATOM 27 CA ILE A 3 -2.237 -8.033 -8.982 1.00 0.00 C ATOM 28 C ILE A 3 -2.784 -6.608 -8.879 1.00 0.00 C ATOM 29 O ILE A 3 -3.530 -6.291 -7.953 1.00 0.00 O ATOM 30 CB ILE A 3 -0.780 -8.166 -8.535 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.103 -9.357 -9.217 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.679 -8.246 -7.010 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.731 -8.901 -10.415 1.00 0.00 C ATOM 0 H ILE A 3 -1.564 -8.426 -10.927 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.815 -8.647 -8.292 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.245 -7.269 -8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.535 -9.876 -8.502 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.859 -10.070 -9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.367 -8.340 -6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.098 -7.341 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.234 -9.114 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.201 -9.767 -10.882 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.086 -8.404 -11.139 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.501 -8.207 -10.079 1.00 0.00 H new ATOM 45 N GLU A 4 -2.393 -5.787 -9.842 1.00 0.00 N ATOM 46 CA GLU A 4 -2.836 -4.403 -9.871 1.00 0.00 C ATOM 47 C GLU A 4 -4.301 -4.305 -9.442 1.00 0.00 C ATOM 48 O GLU A 4 -4.689 -3.360 -8.757 1.00 0.00 O ATOM 49 CB GLU A 4 -2.628 -3.791 -11.258 1.00 0.00 C ATOM 50 CG GLU A 4 -3.466 -2.522 -11.428 1.00 0.00 C ATOM 51 CD GLU A 4 -4.650 -2.767 -12.365 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.450 -3.089 -13.545 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.812 -2.614 -11.827 1.00 0.00 O ATOM 0 H GLU A 4 -1.774 -6.053 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.233 -3.833 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.573 -3.557 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.901 -4.517 -12.024 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.830 -2.190 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.843 -1.721 -11.826 1.00 0.00 H new ATOM 61 N GLU A 5 -5.075 -5.295 -9.863 1.00 0.00 N ATOM 62 CA GLU A 5 -6.489 -5.331 -9.531 1.00 0.00 C ATOM 63 C GLU A 5 -6.686 -5.140 -8.026 1.00 0.00 C ATOM 64 O GLU A 5 -7.518 -4.340 -7.601 1.00 0.00 O ATOM 65 CB GLU A 5 -7.130 -6.637 -10.006 1.00 0.00 C ATOM 66 CG GLU A 5 -8.454 -6.892 -9.284 1.00 0.00 C ATOM 67 CD GLU A 5 -9.521 -7.401 -10.257 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.184 -7.895 -11.342 1.00 0.00 O ATOM 69 OE2 GLU A 5 -10.737 -7.268 -9.849 1.00 0.00 O ATOM 0 H GLU A 5 -4.750 -6.078 -10.431 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.985 -4.511 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.301 -6.592 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.448 -7.468 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.304 -7.622 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.797 -5.972 -8.811 1.00 0.00 H new ATOM 77 N ARG A 6 -5.906 -5.889 -7.260 1.00 0.00 N ATOM 78 CA ARG A 6 -5.984 -5.812 -5.811 1.00 0.00 C ATOM 79 C ARG A 6 -5.244 -4.572 -5.304 1.00 0.00 C ATOM 80 O ARG A 6 -5.533 -4.072 -4.218 1.00 0.00 O ATOM 81 CB ARG A 6 -5.381 -7.058 -5.160 1.00 0.00 C ATOM 82 CG ARG A 6 -6.258 -8.286 -5.409 1.00 0.00 C ATOM 83 CD ARG A 6 -5.572 -9.560 -4.913 1.00 0.00 C ATOM 84 NE ARG A 6 -6.569 -10.642 -4.753 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.255 -11.951 -4.643 1.00 0.00 C ATOM 86 NH1 ARG A 6 -4.966 -12.351 -4.676 1.00 0.00 N ATOM 87 NH2 ARG A 6 -7.227 -12.833 -4.504 1.00 0.00 N ATOM 0 H ARG A 6 -5.217 -6.552 -7.616 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.038 -5.747 -5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.382 -7.233 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.272 -6.896 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.215 -8.163 -4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.471 -8.375 -6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.801 -9.866 -5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.075 -9.369 -3.962 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.555 -10.383 -4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.221 -11.663 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.737 -13.341 -4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.198 -12.522 -4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.007 -13.825 -4.420 1.00 0.00 H new ATOM 100 N VAL A 7 -4.304 -4.110 -6.116 1.00 0.00 N ATOM 101 CA VAL A 7 -3.520 -2.938 -5.764 1.00 0.00 C ATOM 102 C VAL A 7 -4.440 -1.718 -5.692 1.00 0.00 C ATOM 103 O VAL A 7 -4.554 -1.082 -4.646 1.00 0.00 O ATOM 104 CB VAL A 7 -2.368 -2.761 -6.755 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.521 -1.539 -6.398 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.507 -4.024 -6.826 1.00 0.00 C ATOM 0 H VAL A 7 -4.068 -4.526 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.067 -3.063 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.798 -2.593 -7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.709 -1.436 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.144 -0.645 -6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.105 -1.664 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.695 -3.872 -7.537 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.091 -4.237 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.120 -4.865 -7.150 1.00 0.00 H new ATOM 116 N LYS A 8 -5.074 -1.427 -6.819 1.00 0.00 N ATOM 117 CA LYS A 8 -5.980 -0.294 -6.898 1.00 0.00 C ATOM 118 C LYS A 8 -6.981 -0.367 -5.743 1.00 0.00 C ATOM 119 O LYS A 8 -7.402 0.662 -5.216 1.00 0.00 O ATOM 120 CB LYS A 8 -6.637 -0.229 -8.278 1.00 0.00 C ATOM 121 CG LYS A 8 -5.906 0.761 -9.187 1.00 0.00 C ATOM 122 CD LYS A 8 -5.244 0.040 -10.363 1.00 0.00 C ATOM 123 CE LYS A 8 -5.664 0.663 -11.695 1.00 0.00 C ATOM 124 NZ LYS A 8 -7.039 0.247 -12.052 1.00 0.00 N ATOM 0 H LYS A 8 -4.978 -1.957 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.432 0.642 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.632 -1.219 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.680 0.069 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.610 1.504 -9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.151 1.298 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.160 0.089 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.518 -1.015 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.613 1.750 -11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.971 0.360 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.308 0.679 -12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.077 -0.789 -12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.699 0.558 -11.311 1.00 0.00 H new ATOM 137 N LYS A 9 -7.333 -1.592 -5.383 1.00 0.00 N ATOM 138 CA LYS A 9 -8.276 -1.812 -4.300 1.00 0.00 C ATOM 139 C LYS A 9 -7.649 -1.354 -2.982 1.00 0.00 C ATOM 140 O LYS A 9 -8.129 -0.410 -2.356 1.00 0.00 O ATOM 141 CB LYS A 9 -8.745 -3.268 -4.284 1.00 0.00 C ATOM 142 CG LYS A 9 -10.262 -3.355 -4.104 1.00 0.00 C ATOM 143 CD LYS A 9 -10.986 -3.104 -5.428 1.00 0.00 C ATOM 144 CE LYS A 9 -12.500 -3.031 -5.219 1.00 0.00 C ATOM 145 NZ LYS A 9 -13.209 -3.157 -6.512 1.00 0.00 N ATOM 0 H LYS A 9 -6.982 -2.443 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.175 -1.214 -4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.457 -3.756 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.248 -3.805 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.530 -4.339 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.587 -2.624 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.631 -2.173 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.750 -3.902 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.818 -3.825 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.762 -2.085 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.235 -3.105 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.918 -2.384 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.973 -4.070 -6.950 1.00 0.00 H new ATOM 158 N ILE A 10 -6.584 -2.044 -2.599 1.00 0.00 N ATOM 159 CA ILE A 10 -5.886 -1.719 -1.366 1.00 0.00 C ATOM 160 C ILE A 10 -5.644 -0.210 -1.305 1.00 0.00 C ATOM 161 O ILE A 10 -5.842 0.412 -0.262 1.00 0.00 O ATOM 162 CB ILE A 10 -4.610 -2.553 -1.239 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.935 -4.047 -1.169 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.771 -2.093 -0.044 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.085 -4.508 0.282 1.00 0.00 C ATOM 0 H ILE A 10 -6.188 -2.826 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.497 -1.979 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.009 -2.396 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.856 -4.248 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.144 -4.618 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.870 -2.702 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.493 -1.047 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.352 -2.202 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.316 -5.573 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.154 -4.328 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.892 -3.952 0.759 1.00 0.00 H new ATOM 177 N ILE A 11 -5.218 0.335 -2.435 1.00 0.00 N ATOM 178 CA ILE A 11 -4.946 1.760 -2.522 1.00 0.00 C ATOM 179 C ILE A 11 -6.235 2.538 -2.249 1.00 0.00 C ATOM 180 O ILE A 11 -6.205 3.594 -1.619 1.00 0.00 O ATOM 181 CB ILE A 11 -4.294 2.100 -3.864 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.799 1.779 -3.844 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.563 3.555 -4.251 1.00 0.00 C ATOM 184 CD1 ILE A 11 -2.490 0.553 -4.707 1.00 0.00 C ATOM 0 H ILE A 11 -5.055 -0.184 -3.298 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.226 2.058 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.747 1.474 -4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.234 2.637 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.476 1.597 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.089 3.770 -5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.638 3.717 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.155 4.216 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.420 0.346 -4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.038 -0.308 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.792 0.747 -5.736 1.00 0.00 H new ATOM 196 N GLY A 12 -7.336 1.987 -2.738 1.00 0.00 N ATOM 197 CA GLY A 12 -8.633 2.616 -2.554 1.00 0.00 C ATOM 198 C GLY A 12 -8.958 2.779 -1.068 1.00 0.00 C ATOM 199 O GLY A 12 -9.581 3.762 -0.670 1.00 0.00 O ATOM 0 H GLY A 12 -7.357 1.112 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.640 3.591 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.404 2.014 -3.035 1.00 0.00 H new ATOM 203 N GLN A 13 -8.522 1.800 -0.289 1.00 0.00 N ATOM 204 CA GLN A 13 -8.759 1.822 1.144 1.00 0.00 C ATOM 205 C GLN A 13 -7.678 2.643 1.848 1.00 0.00 C ATOM 206 O GLN A 13 -7.948 3.301 2.852 1.00 0.00 O ATOM 207 CB GLN A 13 -8.826 0.402 1.711 1.00 0.00 C ATOM 208 CG GLN A 13 -9.954 0.274 2.736 1.00 0.00 C ATOM 209 CD GLN A 13 -9.422 -0.236 4.077 1.00 0.00 C ATOM 210 OE1 GLN A 13 -9.033 0.524 4.949 1.00 0.00 O ATOM 211 NE2 GLN A 13 -9.425 -1.561 4.192 1.00 0.00 N ATOM 0 H GLN A 13 -8.006 0.986 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.724 2.296 1.326 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.983 -0.310 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.875 0.148 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.434 1.242 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.716 -0.409 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.765 -2.139 3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.088 -1.999 5.049 1.00 0.00 H new ATOM 220 N GLN A 14 -6.476 2.578 1.295 1.00 0.00 N ATOM 221 CA GLN A 14 -5.352 3.307 1.858 1.00 0.00 C ATOM 222 C GLN A 14 -5.723 4.778 2.062 1.00 0.00 C ATOM 223 O GLN A 14 -5.119 5.465 2.885 1.00 0.00 O ATOM 224 CB GLN A 14 -4.112 3.173 0.972 1.00 0.00 C ATOM 225 CG GLN A 14 -3.077 4.248 1.310 1.00 0.00 C ATOM 226 CD GLN A 14 -1.660 3.761 1.001 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.105 2.914 1.680 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.107 4.343 -0.060 1.00 0.00 N ATOM 0 H GLN A 14 -6.256 2.031 0.462 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.113 2.874 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.671 2.185 1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.399 3.256 -0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.287 5.152 0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.153 4.512 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.627 5.046 -0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.163 4.086 -0.348 1.00 0.00 H new ATOM 237 N LEU A 15 -6.713 5.217 1.299 1.00 0.00 N ATOM 238 CA LEU A 15 -7.171 6.593 1.386 1.00 0.00 C ATOM 239 C LEU A 15 -8.700 6.619 1.360 1.00 0.00 C ATOM 240 O LEU A 15 -9.340 6.792 2.396 1.00 0.00 O ATOM 241 CB LEU A 15 -6.522 7.444 0.293 1.00 0.00 C ATOM 242 CG LEU A 15 -6.109 6.701 -0.979 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.455 7.515 -2.227 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.627 6.321 -0.935 1.00 0.00 C ATOM 0 H LEU A 15 -7.211 4.644 0.618 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.860 7.039 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.217 8.237 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.638 7.926 0.712 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.678 5.773 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.151 6.964 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.530 7.692 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.931 8.470 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.359 5.794 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.022 7.224 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.443 5.674 -0.077 1.00 0.00 H new ATOM 256 N GLY A 16 -9.243 6.446 0.163 1.00 0.00 N ATOM 257 CA GLY A 16 -10.685 6.448 -0.012 1.00 0.00 C ATOM 258 C GLY A 16 -11.078 7.153 -1.312 1.00 0.00 C ATOM 259 O GLY A 16 -11.512 8.304 -1.292 1.00 0.00 O ATOM 0 H GLY A 16 -8.710 6.304 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.055 5.423 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.157 6.948 0.834 1.00 0.00 H new ATOM 263 N VAL A 17 -10.912 6.432 -2.412 1.00 0.00 N ATOM 264 CA VAL A 17 -11.245 6.974 -3.719 1.00 0.00 C ATOM 265 C VAL A 17 -11.650 5.831 -4.651 1.00 0.00 C ATOM 266 O VAL A 17 -11.664 4.670 -4.246 1.00 0.00 O ATOM 267 CB VAL A 17 -10.073 7.798 -4.257 1.00 0.00 C ATOM 268 CG1 VAL A 17 -10.546 8.798 -5.313 1.00 0.00 C ATOM 269 CG2 VAL A 17 -9.335 8.509 -3.121 1.00 0.00 C ATOM 0 H VAL A 17 -10.552 5.478 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.096 7.652 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.373 7.112 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.694 9.371 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.006 8.261 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.276 9.476 -4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.507 9.087 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.023 9.177 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.949 7.770 -2.419 1.00 0.00 H new ATOM 279 N LYS A 18 -11.970 6.200 -5.883 1.00 0.00 N ATOM 280 CA LYS A 18 -12.375 5.220 -6.877 1.00 0.00 C ATOM 281 C LYS A 18 -11.136 4.701 -7.608 1.00 0.00 C ATOM 282 O LYS A 18 -10.057 4.612 -7.024 1.00 0.00 O ATOM 283 CB LYS A 18 -13.437 5.809 -7.808 1.00 0.00 C ATOM 284 CG LYS A 18 -14.543 4.790 -8.091 1.00 0.00 C ATOM 285 CD LYS A 18 -15.635 5.397 -8.973 1.00 0.00 C ATOM 286 CE LYS A 18 -16.826 4.446 -9.104 1.00 0.00 C ATOM 287 NZ LYS A 18 -17.734 4.898 -10.182 1.00 0.00 N ATOM 0 H LYS A 18 -11.957 7.164 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.846 4.362 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.868 6.702 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.974 6.118 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.119 3.914 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.977 4.449 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.967 6.344 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.230 5.616 -9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.472 3.438 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.368 4.400 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.537 4.241 -10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.086 5.852 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.218 4.919 -11.085 1.00 0.00 H new ATOM 300 N GLN A 19 -11.331 4.372 -8.877 1.00 0.00 N ATOM 301 CA GLN A 19 -10.243 3.863 -9.694 1.00 0.00 C ATOM 302 C GLN A 19 -9.803 4.920 -10.709 1.00 0.00 C ATOM 303 O GLN A 19 -8.609 5.171 -10.872 1.00 0.00 O ATOM 304 CB GLN A 19 -10.644 2.564 -10.395 1.00 0.00 C ATOM 305 CG GLN A 19 -9.978 1.356 -9.733 1.00 0.00 C ATOM 306 CD GLN A 19 -10.235 0.079 -10.537 1.00 0.00 C ATOM 307 OE1 GLN A 19 -10.182 0.062 -11.756 1.00 0.00 O ATOM 308 NE2 GLN A 19 -10.514 -0.984 -9.789 1.00 0.00 N ATOM 0 H GLN A 19 -12.227 4.448 -9.359 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.399 3.639 -9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.727 2.449 -10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.359 2.611 -11.446 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.905 1.528 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.361 1.235 -8.720 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.542 -0.899 -8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.700 -1.884 -10.231 1.00 0.00 H new ATOM 317 N GLU A 20 -10.790 5.512 -11.365 1.00 0.00 N ATOM 318 CA GLU A 20 -10.520 6.536 -12.360 1.00 0.00 C ATOM 319 C GLU A 20 -9.840 7.742 -11.709 1.00 0.00 C ATOM 320 O GLU A 20 -9.159 8.513 -12.382 1.00 0.00 O ATOM 321 CB GLU A 20 -11.803 6.952 -13.081 1.00 0.00 C ATOM 322 CG GLU A 20 -11.935 6.234 -14.425 1.00 0.00 C ATOM 323 CD GLU A 20 -13.313 6.476 -15.044 1.00 0.00 C ATOM 324 OE1 GLU A 20 -14.303 6.627 -14.313 1.00 0.00 O ATOM 325 OE2 GLU A 20 -13.334 6.507 -16.333 1.00 0.00 O ATOM 0 H GLU A 20 -11.779 5.302 -11.227 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.842 6.121 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.666 6.723 -12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.802 8.030 -13.240 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.160 6.585 -15.106 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.777 5.164 -14.287 1.00 0.00 H new ATOM 333 N GLU A 21 -10.051 7.867 -10.406 1.00 0.00 N ATOM 334 CA GLU A 21 -9.467 8.967 -9.657 1.00 0.00 C ATOM 335 C GLU A 21 -8.079 8.581 -9.142 1.00 0.00 C ATOM 336 O GLU A 21 -7.308 9.441 -8.718 1.00 0.00 O ATOM 337 CB GLU A 21 -10.380 9.390 -8.505 1.00 0.00 C ATOM 338 CG GLU A 21 -11.265 10.570 -8.912 1.00 0.00 C ATOM 339 CD GLU A 21 -11.265 11.654 -7.832 1.00 0.00 C ATOM 340 OE1 GLU A 21 -10.308 11.748 -7.048 1.00 0.00 O ATOM 341 OE2 GLU A 21 -12.305 12.417 -7.825 1.00 0.00 O ATOM 0 H GLU A 21 -10.617 7.226 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.360 9.821 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.005 8.549 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.776 9.665 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.908 10.989 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.284 10.223 -9.084 1.00 0.00 H new ATOM 349 N VAL A 22 -7.801 7.286 -9.197 1.00 0.00 N ATOM 350 CA VAL A 22 -6.519 6.776 -8.742 1.00 0.00 C ATOM 351 C VAL A 22 -5.900 5.911 -9.842 1.00 0.00 C ATOM 352 O VAL A 22 -5.260 4.900 -9.556 1.00 0.00 O ATOM 353 CB VAL A 22 -6.694 6.026 -7.419 1.00 0.00 C ATOM 354 CG1 VAL A 22 -5.340 5.753 -6.761 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.620 6.793 -6.473 1.00 0.00 C ATOM 0 H VAL A 22 -8.442 6.575 -9.550 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.829 7.597 -8.546 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.160 5.065 -7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.492 5.219 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.727 5.147 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.835 6.698 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.728 6.239 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.195 7.775 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.598 6.913 -6.939 1.00 0.00 H new ATOM 365 N THR A 23 -6.112 6.340 -11.077 1.00 0.00 N ATOM 366 CA THR A 23 -5.582 5.618 -12.222 1.00 0.00 C ATOM 367 C THR A 23 -4.168 5.115 -11.926 1.00 0.00 C ATOM 368 O THR A 23 -3.507 5.608 -11.014 1.00 0.00 O ATOM 369 CB THR A 23 -5.657 6.541 -13.439 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.394 7.838 -12.909 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.074 6.651 -14.005 1.00 0.00 C ATOM 0 H THR A 23 -6.644 7.179 -11.310 1.00 0.00 H new ATOM 0 HA THR A 23 -6.172 4.727 -12.436 1.00 0.00 H new ATOM 0 HB THR A 23 -4.984 6.174 -14.214 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.422 8.499 -13.632 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.071 7.318 -14.867 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.421 5.664 -14.311 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.741 7.049 -13.241 1.00 0.00 H new ATOM 379 N ASN A 24 -3.745 4.139 -12.717 1.00 0.00 N ATOM 380 CA ASN A 24 -2.421 3.563 -12.552 1.00 0.00 C ATOM 381 C ASN A 24 -1.367 4.592 -12.966 1.00 0.00 C ATOM 382 O ASN A 24 -0.829 4.525 -14.070 1.00 0.00 O ATOM 383 CB ASN A 24 -2.245 2.325 -13.433 1.00 0.00 C ATOM 384 CG ASN A 24 -2.525 2.653 -14.901 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.822 3.778 -15.267 1.00 0.00 O ATOM 386 ND2 ASN A 24 -2.415 1.610 -15.719 1.00 0.00 N ATOM 0 H ASN A 24 -4.296 3.733 -13.473 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.304 3.280 -11.506 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.230 1.942 -13.329 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.919 1.537 -13.098 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.583 1.726 -16.718 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.163 0.694 -15.347 1.00 0.00 H new ATOM 393 N ASN A 25 -1.104 5.521 -12.058 1.00 0.00 N ATOM 394 CA ASN A 25 -0.124 6.562 -12.315 1.00 0.00 C ATOM 395 C ASN A 25 -0.275 7.669 -11.270 1.00 0.00 C ATOM 396 O ASN A 25 0.691 8.356 -10.943 1.00 0.00 O ATOM 397 CB ASN A 25 -0.332 7.185 -13.697 1.00 0.00 C ATOM 398 CG ASN A 25 0.900 6.984 -14.581 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.466 8.117 -14.987 1.00 0.00 O flip ATOM 400 ND2 ASN A 25 1.310 5.873 -14.875 1.00 0.00 N flip ATOM 0 H ASN A 25 -1.553 5.574 -11.144 1.00 0.00 H new ATOM 0 HA ASN A 25 0.867 6.111 -12.268 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.203 6.737 -14.174 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.539 8.250 -13.592 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.828 5.043 -14.529 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.135 5.774 -15.467 1.00 0.00 H new ATOM 407 N ALA A 26 -1.496 7.806 -10.773 1.00 0.00 N ATOM 408 CA ALA A 26 -1.787 8.818 -9.771 1.00 0.00 C ATOM 409 C ALA A 26 -0.589 8.955 -8.829 1.00 0.00 C ATOM 410 O ALA A 26 0.078 7.968 -8.519 1.00 0.00 O ATOM 411 CB ALA A 26 -3.073 8.447 -9.030 1.00 0.00 C ATOM 0 H ALA A 26 -2.295 7.233 -11.045 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.950 9.788 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.292 9.206 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.898 8.391 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.946 7.480 -8.543 1.00 0.00 H new ATOM 417 N SER A 27 -0.353 10.185 -8.398 1.00 0.00 N ATOM 418 CA SER A 27 0.752 10.464 -7.497 1.00 0.00 C ATOM 419 C SER A 27 0.291 10.324 -6.045 1.00 0.00 C ATOM 420 O SER A 27 -0.786 9.793 -5.780 1.00 0.00 O ATOM 421 CB SER A 27 1.322 11.862 -7.741 1.00 0.00 C ATOM 422 OG SER A 27 2.674 11.817 -8.190 1.00 0.00 O ATOM 0 H SER A 27 -0.909 11.000 -8.656 1.00 0.00 H new ATOM 0 HA SER A 27 1.543 9.740 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.711 12.378 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.265 12.442 -6.820 1.00 0.00 H new ATOM 0 HG SER A 27 3.001 12.729 -8.336 1.00 0.00 H new ATOM 428 N PHE A 28 1.130 10.811 -5.142 1.00 0.00 N ATOM 429 CA PHE A 28 0.822 10.747 -3.724 1.00 0.00 C ATOM 430 C PHE A 28 0.966 12.123 -3.069 1.00 0.00 C ATOM 431 O PHE A 28 0.032 12.613 -2.436 1.00 0.00 O ATOM 432 CB PHE A 28 1.830 9.787 -3.090 1.00 0.00 C ATOM 433 CG PHE A 28 1.284 8.377 -2.855 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.158 7.514 -3.898 1.00 0.00 C ATOM 435 CD2 PHE A 28 0.924 7.987 -1.602 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.651 6.205 -3.680 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.417 6.679 -1.384 1.00 0.00 C ATOM 438 CZ PHE A 28 0.291 5.816 -2.428 1.00 0.00 C ATOM 0 H PHE A 28 2.023 11.251 -5.365 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.205 10.411 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.709 9.723 -3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.161 10.201 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.443 7.824 -4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.024 8.672 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.552 5.519 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.131 6.369 -0.390 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.095 4.821 -2.262 1.00 0.00 H new ATOM 448 N VAL A 29 2.142 12.707 -3.245 1.00 0.00 N ATOM 449 CA VAL A 29 2.419 14.016 -2.679 1.00 0.00 C ATOM 450 C VAL A 29 1.647 15.079 -3.463 1.00 0.00 C ATOM 451 O VAL A 29 1.441 16.188 -2.973 1.00 0.00 O ATOM 452 CB VAL A 29 3.928 14.268 -2.658 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.255 15.582 -1.946 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.671 13.096 -2.013 1.00 0.00 C ATOM 0 H VAL A 29 2.914 12.298 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 29 2.080 14.064 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 29 4.267 14.353 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.334 15.737 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.770 16.408 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.894 15.539 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.742 13.301 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.324 12.965 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.477 12.186 -2.580 1.00 0.00 H new ATOM 464 N GLU A 30 1.241 14.703 -4.666 1.00 0.00 N ATOM 465 CA GLU A 30 0.496 15.611 -5.522 1.00 0.00 C ATOM 466 C GLU A 30 -0.990 15.246 -5.516 1.00 0.00 C ATOM 467 O GLU A 30 -1.839 16.083 -5.818 1.00 0.00 O ATOM 468 CB GLU A 30 1.056 15.606 -6.946 1.00 0.00 C ATOM 469 CG GLU A 30 2.071 16.734 -7.140 1.00 0.00 C ATOM 470 CD GLU A 30 2.102 17.199 -8.597 1.00 0.00 C ATOM 471 OE1 GLU A 30 1.082 17.115 -9.297 1.00 0.00 O ATOM 472 OE2 GLU A 30 3.238 17.661 -8.998 1.00 0.00 O ATOM 0 H GLU A 30 1.414 13.782 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 30 0.604 16.622 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.530 14.646 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.241 15.718 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.816 17.573 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.062 16.391 -6.843 1.00 0.00 H new ATOM 480 N ASP A 31 -1.258 13.995 -5.170 1.00 0.00 N ATOM 481 CA ASP A 31 -2.627 13.510 -5.122 1.00 0.00 C ATOM 482 C ASP A 31 -3.105 13.490 -3.668 1.00 0.00 C ATOM 483 O ASP A 31 -3.935 14.308 -3.273 1.00 0.00 O ATOM 484 CB ASP A 31 -2.726 12.085 -5.671 1.00 0.00 C ATOM 485 CG ASP A 31 -4.119 11.458 -5.595 1.00 0.00 C ATOM 486 OD1 ASP A 31 -5.133 12.165 -5.489 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.141 10.170 -5.650 1.00 0.00 O ATOM 0 H ASP A 31 -0.551 13.303 -4.920 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.242 14.174 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.402 12.090 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.029 11.451 -5.123 1.00 0.00 H new ATOM 493 N LEU A 32 -2.560 12.549 -2.912 1.00 0.00 N ATOM 494 CA LEU A 32 -2.921 12.412 -1.511 1.00 0.00 C ATOM 495 C LEU A 32 -1.951 13.232 -0.657 1.00 0.00 C ATOM 496 O LEU A 32 -1.717 12.908 0.506 1.00 0.00 O ATOM 497 CB LEU A 32 -2.990 10.936 -1.117 1.00 0.00 C ATOM 498 CG LEU A 32 -4.354 10.261 -1.281 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.287 10.623 -0.124 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.971 10.596 -2.641 1.00 0.00 C ATOM 0 H LEU A 32 -1.871 11.874 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.919 12.812 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.261 10.387 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.684 10.844 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.207 9.181 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.249 10.131 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.845 10.294 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.432 11.703 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.939 10.104 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.103 11.675 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.311 10.248 -3.436 1.00 0.00 H new ATOM 512 N GLY A 33 -1.412 14.276 -1.268 1.00 0.00 N ATOM 513 CA GLY A 33 -0.472 15.144 -0.579 1.00 0.00 C ATOM 514 C GLY A 33 0.448 14.337 0.339 1.00 0.00 C ATOM 515 O GLY A 33 0.906 14.840 1.364 1.00 0.00 O ATOM 0 H GLY A 33 -1.608 14.541 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.125 15.691 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.017 15.884 0.006 1.00 0.00 H new ATOM 519 N ALA A 34 0.693 13.098 -0.063 1.00 0.00 N ATOM 520 CA ALA A 34 1.551 12.216 0.710 1.00 0.00 C ATOM 521 C ALA A 34 1.120 12.250 2.177 1.00 0.00 C ATOM 522 O ALA A 34 1.659 13.024 2.968 1.00 0.00 O ATOM 523 CB ALA A 34 3.011 12.630 0.521 1.00 0.00 C ATOM 0 H ALA A 34 0.312 12.684 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 34 1.457 11.187 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.655 11.969 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.275 12.560 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.145 13.657 0.862 1.00 0.00 H new ATOM 529 N ASP A 35 0.153 11.403 2.497 1.00 0.00 N ATOM 530 CA ASP A 35 -0.356 11.327 3.856 1.00 0.00 C ATOM 531 C ASP A 35 0.387 10.225 4.613 1.00 0.00 C ATOM 532 O ASP A 35 1.000 9.351 4.002 1.00 0.00 O ATOM 533 CB ASP A 35 -1.847 10.986 3.867 1.00 0.00 C ATOM 534 CG ASP A 35 -2.616 11.485 5.093 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.611 10.845 6.155 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.249 12.597 4.923 1.00 0.00 O ATOM 0 H ASP A 35 -0.292 10.763 1.839 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.205 12.298 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.307 11.406 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.957 9.903 3.804 1.00 0.00 H new ATOM 542 N SER A 36 0.307 10.301 5.934 1.00 0.00 N ATOM 543 CA SER A 36 0.965 9.320 6.781 1.00 0.00 C ATOM 544 C SER A 36 0.307 7.950 6.603 1.00 0.00 C ATOM 545 O SER A 36 0.978 6.974 6.273 1.00 0.00 O ATOM 546 CB SER A 36 0.920 9.744 8.251 1.00 0.00 C ATOM 547 OG SER A 36 2.165 10.279 8.690 1.00 0.00 O ATOM 0 H SER A 36 -0.203 11.026 6.438 1.00 0.00 H new ATOM 0 HA SER A 36 2.011 9.255 6.481 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.136 10.489 8.390 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.657 8.885 8.868 1.00 0.00 H new ATOM 0 HG SER A 36 2.095 10.539 9.632 1.00 0.00 H new ATOM 553 N LEU A 37 -0.998 7.922 6.830 1.00 0.00 N ATOM 554 CA LEU A 37 -1.754 6.688 6.698 1.00 0.00 C ATOM 555 C LEU A 37 -1.472 6.065 5.330 1.00 0.00 C ATOM 556 O LEU A 37 -1.532 4.847 5.174 1.00 0.00 O ATOM 557 CB LEU A 37 -3.239 6.939 6.965 1.00 0.00 C ATOM 558 CG LEU A 37 -3.578 7.603 8.301 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.038 8.059 8.332 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.241 6.681 9.474 1.00 0.00 C ATOM 0 H LEU A 37 -1.551 8.734 7.104 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.436 5.965 7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.632 7.563 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.763 5.985 6.913 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.960 8.495 8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.253 8.527 9.293 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.212 8.777 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.691 7.197 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.492 7.178 10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.814 5.758 9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.176 6.449 9.460 1.00 0.00 H new ATOM 572 N ASP A 38 -1.169 6.930 4.373 1.00 0.00 N ATOM 573 CA ASP A 38 -0.878 6.480 3.022 1.00 0.00 C ATOM 574 C ASP A 38 0.471 5.758 3.010 1.00 0.00 C ATOM 575 O ASP A 38 0.558 4.604 2.594 1.00 0.00 O ATOM 576 CB ASP A 38 -0.789 7.662 2.055 1.00 0.00 C ATOM 577 CG ASP A 38 -2.075 7.963 1.282 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.110 7.886 0.045 1.00 0.00 O ATOM 579 OD2 ASP A 38 -3.086 8.292 2.013 1.00 0.00 O ATOM 0 H ASP A 38 -1.119 7.940 4.506 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.683 5.816 2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.504 8.551 2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.010 7.468 1.340 1.00 0.00 H new ATOM 585 N THR A 39 1.490 6.467 3.472 1.00 0.00 N ATOM 586 CA THR A 39 2.831 5.908 3.520 1.00 0.00 C ATOM 587 C THR A 39 2.882 4.729 4.493 1.00 0.00 C ATOM 588 O THR A 39 3.790 3.902 4.425 1.00 0.00 O ATOM 589 CB THR A 39 3.801 7.035 3.880 1.00 0.00 C ATOM 590 OG1 THR A 39 3.877 7.820 2.693 1.00 0.00 O ATOM 591 CG2 THR A 39 5.231 6.533 4.086 1.00 0.00 C ATOM 0 H THR A 39 1.414 7.424 3.817 1.00 0.00 H new ATOM 0 HA THR A 39 3.126 5.503 2.552 1.00 0.00 H new ATOM 0 HB THR A 39 3.457 7.534 4.786 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.485 8.575 2.838 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.878 7.373 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.248 5.804 4.897 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.588 6.064 3.169 1.00 0.00 H new ATOM 599 N VAL A 40 1.896 4.688 5.377 1.00 0.00 N ATOM 600 CA VAL A 40 1.817 3.624 6.363 1.00 0.00 C ATOM 601 C VAL A 40 1.009 2.459 5.786 1.00 0.00 C ATOM 602 O VAL A 40 1.395 1.300 5.930 1.00 0.00 O ATOM 603 CB VAL A 40 1.237 4.164 7.671 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.087 3.048 8.707 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.093 5.308 8.219 1.00 0.00 C ATOM 0 H VAL A 40 1.144 5.375 5.431 1.00 0.00 H new ATOM 0 HA VAL A 40 2.812 3.245 6.597 1.00 0.00 H new ATOM 0 HB VAL A 40 0.244 4.560 7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.673 3.459 9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.418 2.279 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.063 2.609 8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.659 5.674 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.104 4.948 8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.127 6.118 7.491 1.00 0.00 H new ATOM 615 N GLU A 41 -0.098 2.808 5.147 1.00 0.00 N ATOM 616 CA GLU A 41 -0.963 1.807 4.548 1.00 0.00 C ATOM 617 C GLU A 41 -0.231 1.077 3.420 1.00 0.00 C ATOM 618 O GLU A 41 -0.582 -0.050 3.074 1.00 0.00 O ATOM 619 CB GLU A 41 -2.262 2.437 4.041 1.00 0.00 C ATOM 620 CG GLU A 41 -3.276 2.592 5.176 1.00 0.00 C ATOM 621 CD GLU A 41 -4.548 1.792 4.888 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.660 2.325 5.022 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.353 0.574 4.511 1.00 0.00 O ATOM 0 H GLU A 41 -0.415 3.770 5.031 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.226 1.078 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.050 3.412 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.687 1.817 3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.833 2.253 6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.526 3.645 5.304 1.00 0.00 H new ATOM 631 N LEU A 42 0.774 1.750 2.878 1.00 0.00 N ATOM 632 CA LEU A 42 1.559 1.180 1.797 1.00 0.00 C ATOM 633 C LEU A 42 2.522 0.137 2.366 1.00 0.00 C ATOM 634 O LEU A 42 2.832 -0.854 1.706 1.00 0.00 O ATOM 635 CB LEU A 42 2.252 2.285 0.997 1.00 0.00 C ATOM 636 CG LEU A 42 2.645 1.929 -0.438 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.548 3.152 -1.352 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.033 1.288 -0.484 1.00 0.00 C ATOM 0 H LEU A 42 1.062 2.685 3.168 1.00 0.00 H new ATOM 0 HA LEU A 42 0.912 0.663 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.593 3.153 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.151 2.586 1.535 1.00 0.00 H new ATOM 0 HG LEU A 42 1.937 1.190 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.833 2.872 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.524 3.525 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.218 3.931 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.287 1.045 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.769 1.985 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.033 0.377 0.114 1.00 0.00 H new ATOM 650 N VAL A 43 2.969 0.394 3.587 1.00 0.00 N ATOM 651 CA VAL A 43 3.891 -0.510 4.253 1.00 0.00 C ATOM 652 C VAL A 43 3.114 -1.707 4.805 1.00 0.00 C ATOM 653 O VAL A 43 3.666 -2.798 4.946 1.00 0.00 O ATOM 654 CB VAL A 43 4.675 0.242 5.331 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.795 -0.629 5.902 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.228 1.560 4.786 1.00 0.00 C ATOM 0 H VAL A 43 2.709 1.216 4.132 1.00 0.00 H new ATOM 0 HA VAL A 43 4.625 -0.896 3.546 1.00 0.00 H new ATOM 0 HB VAL A 43 3.988 0.478 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.336 -0.071 6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.367 -1.528 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.481 -0.910 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.781 2.075 5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.894 1.356 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.404 2.189 4.450 1.00 0.00 H new ATOM 666 N MET A 44 1.846 -1.464 5.101 1.00 0.00 N ATOM 667 CA MET A 44 0.988 -2.509 5.634 1.00 0.00 C ATOM 668 C MET A 44 0.295 -3.277 4.507 1.00 0.00 C ATOM 669 O MET A 44 0.176 -4.500 4.566 1.00 0.00 O ATOM 670 CB MET A 44 -0.066 -1.886 6.551 1.00 0.00 C ATOM 671 CG MET A 44 0.585 -1.248 7.780 1.00 0.00 C ATOM 672 SD MET A 44 0.028 -2.073 9.262 1.00 0.00 S ATOM 673 CE MET A 44 1.460 -3.077 9.616 1.00 0.00 C ATOM 0 H MET A 44 1.392 -0.559 4.982 1.00 0.00 H new ATOM 0 HA MET A 44 1.606 -3.208 6.198 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.631 -1.133 6.002 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.776 -2.650 6.867 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.670 -1.314 7.703 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.333 -0.189 7.827 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.280 -3.662 10.518 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.649 -3.750 8.779 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.327 -2.434 9.767 1.00 0.00 H new ATOM 683 N ALA A 45 -0.144 -2.528 3.506 1.00 0.00 N ATOM 684 CA ALA A 45 -0.822 -3.123 2.367 1.00 0.00 C ATOM 685 C ALA A 45 0.039 -4.253 1.800 1.00 0.00 C ATOM 686 O ALA A 45 -0.444 -5.367 1.601 1.00 0.00 O ATOM 687 CB ALA A 45 -1.122 -2.041 1.329 1.00 0.00 C ATOM 0 H ALA A 45 -0.043 -1.514 3.460 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.775 -3.556 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.631 -2.488 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.761 -1.278 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.189 -1.585 0.998 1.00 0.00 H new ATOM 693 N LEU A 46 1.300 -3.927 1.555 1.00 0.00 N ATOM 694 CA LEU A 46 2.233 -4.901 1.014 1.00 0.00 C ATOM 695 C LEU A 46 2.489 -5.990 2.058 1.00 0.00 C ATOM 696 O LEU A 46 2.623 -7.164 1.716 1.00 0.00 O ATOM 697 CB LEU A 46 3.506 -4.208 0.523 1.00 0.00 C ATOM 698 CG LEU A 46 3.392 -3.462 -0.808 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.701 -2.747 -1.149 1.00 0.00 C ATOM 700 CD2 LEU A 46 2.944 -4.403 -1.928 1.00 0.00 C ATOM 0 H LEU A 46 1.697 -3.002 1.721 1.00 0.00 H new ATOM 0 HA LEU A 46 1.807 -5.392 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.829 -3.501 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.292 -4.958 0.431 1.00 0.00 H new ATOM 0 HG LEU A 46 2.624 -2.696 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.593 -2.225 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.938 -2.028 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.506 -3.478 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.871 -3.847 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.671 -5.207 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.970 -4.826 -1.680 1.00 0.00 H new ATOM 712 N GLU A 47 2.551 -5.561 3.310 1.00 0.00 N ATOM 713 CA GLU A 47 2.789 -6.485 4.406 1.00 0.00 C ATOM 714 C GLU A 47 1.644 -7.495 4.507 1.00 0.00 C ATOM 715 O GLU A 47 1.872 -8.672 4.784 1.00 0.00 O ATOM 716 CB GLU A 47 2.975 -5.734 5.726 1.00 0.00 C ATOM 717 CG GLU A 47 4.398 -5.907 6.260 1.00 0.00 C ATOM 718 CD GLU A 47 4.401 -6.699 7.569 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.835 -7.800 7.628 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.020 -6.131 8.548 1.00 0.00 O ATOM 0 H GLU A 47 2.441 -4.586 3.590 1.00 0.00 H new ATOM 0 HA GLU A 47 3.711 -7.029 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.765 -4.675 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.260 -6.102 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.008 -6.422 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.851 -4.929 6.422 1.00 0.00 H new ATOM 728 N GLU A 48 0.437 -6.999 4.277 1.00 0.00 N ATOM 729 CA GLU A 48 -0.744 -7.843 4.339 1.00 0.00 C ATOM 730 C GLU A 48 -0.953 -8.562 3.004 1.00 0.00 C ATOM 731 O GLU A 48 -1.732 -9.510 2.921 1.00 0.00 O ATOM 732 CB GLU A 48 -1.981 -7.029 4.723 1.00 0.00 C ATOM 733 CG GLU A 48 -2.856 -7.798 5.715 1.00 0.00 C ATOM 734 CD GLU A 48 -4.303 -7.877 5.222 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.554 -7.752 4.014 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.183 -8.076 6.144 1.00 0.00 O ATOM 0 H GLU A 48 0.252 -6.023 4.047 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.590 -8.594 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.674 -6.080 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.559 -6.794 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.459 -8.804 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.826 -7.308 6.688 1.00 0.00 H new ATOM 744 N GLU A 49 -0.242 -8.083 1.994 1.00 0.00 N ATOM 745 CA GLU A 49 -0.340 -8.667 0.667 1.00 0.00 C ATOM 746 C GLU A 49 0.553 -9.906 0.565 1.00 0.00 C ATOM 747 O GLU A 49 0.056 -11.028 0.478 1.00 0.00 O ATOM 748 CB GLU A 49 0.018 -7.643 -0.412 1.00 0.00 C ATOM 749 CG GLU A 49 -0.550 -8.057 -1.771 1.00 0.00 C ATOM 750 CD GLU A 49 0.561 -8.167 -2.818 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.678 -7.682 -2.590 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.229 -8.784 -3.901 1.00 0.00 O ATOM 0 H GLU A 49 0.404 -7.297 2.068 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.373 -8.973 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.373 -6.664 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.101 -7.546 -0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.064 -9.014 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.291 -7.327 -2.097 1.00 0.00 H new ATOM 760 N PHE A 50 1.854 -9.660 0.579 1.00 0.00 N ATOM 761 CA PHE A 50 2.821 -10.741 0.490 1.00 0.00 C ATOM 762 C PHE A 50 3.899 -10.603 1.567 1.00 0.00 C ATOM 763 O PHE A 50 5.000 -11.133 1.420 1.00 0.00 O ATOM 764 CB PHE A 50 3.478 -10.640 -0.888 1.00 0.00 C ATOM 765 CG PHE A 50 2.971 -11.673 -1.897 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.540 -12.907 -1.951 1.00 0.00 C ATOM 767 CD2 PHE A 50 1.950 -11.357 -2.738 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.068 -13.866 -2.887 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.479 -12.316 -3.674 1.00 0.00 C ATOM 770 CZ PHE A 50 2.048 -13.550 -3.729 1.00 0.00 C ATOM 0 H PHE A 50 2.262 -8.728 0.651 1.00 0.00 H new ATOM 0 HA PHE A 50 2.322 -11.699 0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.306 -9.641 -1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.556 -10.757 -0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.350 -13.158 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.498 -10.377 -2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.519 -14.846 -2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.669 -12.065 -4.342 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.690 -14.279 -4.441 1.00 0.00 H new ATOM 780 N ASP A 51 3.545 -9.890 2.626 1.00 0.00 N ATOM 781 CA ASP A 51 4.468 -9.676 3.727 1.00 0.00 C ATOM 782 C ASP A 51 5.818 -9.215 3.173 1.00 0.00 C ATOM 783 O ASP A 51 6.798 -9.956 3.222 1.00 0.00 O ATOM 784 CB ASP A 51 4.696 -10.968 4.514 1.00 0.00 C ATOM 785 CG ASP A 51 5.579 -10.823 5.755 1.00 0.00 C ATOM 786 OD1 ASP A 51 5.708 -9.728 6.322 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.157 -11.909 6.143 1.00 0.00 O ATOM 0 H ASP A 51 2.631 -9.453 2.745 1.00 0.00 H new ATOM 0 HA ASP A 51 4.037 -8.923 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.728 -11.365 4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.147 -11.705 3.850 1.00 0.00 H new ATOM 793 N THR A 52 5.824 -7.994 2.659 1.00 0.00 N ATOM 794 CA THR A 52 7.038 -7.425 2.097 1.00 0.00 C ATOM 795 C THR A 52 7.511 -6.239 2.940 1.00 0.00 C ATOM 796 O THR A 52 8.681 -5.863 2.886 1.00 0.00 O ATOM 797 CB THR A 52 6.757 -7.060 0.638 1.00 0.00 C ATOM 798 OG1 THR A 52 7.966 -7.388 -0.041 1.00 0.00 O ATOM 799 CG2 THR A 52 6.609 -5.552 0.430 1.00 0.00 C ATOM 0 H THR A 52 5.008 -7.383 2.620 1.00 0.00 H new ATOM 0 HA THR A 52 7.857 -8.144 2.116 1.00 0.00 H new ATOM 0 HB THR A 52 5.848 -7.562 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.871 -7.184 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.411 -5.348 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.781 -5.181 1.034 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.530 -5.051 0.730 1.00 0.00 H new ATOM 807 N GLU A 53 6.578 -5.683 3.698 1.00 0.00 N ATOM 808 CA GLU A 53 6.885 -4.548 4.551 1.00 0.00 C ATOM 809 C GLU A 53 7.800 -3.565 3.817 1.00 0.00 C ATOM 810 O GLU A 53 9.022 -3.700 3.856 1.00 0.00 O ATOM 811 CB GLU A 53 7.517 -5.006 5.867 1.00 0.00 C ATOM 812 CG GLU A 53 8.645 -6.008 5.615 1.00 0.00 C ATOM 813 CD GLU A 53 9.323 -6.411 6.926 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.477 -6.029 7.170 1.00 0.00 O ATOM 815 OE2 GLU A 53 8.607 -7.149 7.706 1.00 0.00 O ATOM 0 H GLU A 53 5.609 -5.998 3.739 1.00 0.00 H new ATOM 0 HA GLU A 53 5.953 -4.037 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.907 -4.143 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.756 -5.462 6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.246 -6.894 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.381 -5.571 4.940 1.00 0.00 H new ATOM 823 N ILE A 54 7.173 -2.597 3.165 1.00 0.00 N ATOM 824 CA ILE A 54 7.914 -1.592 2.423 1.00 0.00 C ATOM 825 C ILE A 54 8.466 -0.549 3.397 1.00 0.00 C ATOM 826 O ILE A 54 7.765 -0.115 4.310 1.00 0.00 O ATOM 827 CB ILE A 54 7.047 -0.997 1.312 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.376 -1.632 -0.041 1.00 0.00 C ATOM 829 CG2 ILE A 54 7.173 0.528 1.275 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.748 -1.176 -0.541 1.00 0.00 C ATOM 0 H ILE A 54 6.159 -2.488 3.135 1.00 0.00 H new ATOM 0 HA ILE A 54 8.769 -2.044 1.920 1.00 0.00 H new ATOM 0 HB ILE A 54 6.005 -1.229 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.360 -2.718 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.611 -1.362 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.547 0.926 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.850 0.943 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.212 0.803 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.957 -1.642 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.752 -0.092 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.513 -1.469 0.178 1.00 0.00 H new ATOM 842 N PRO A 55 9.751 -0.168 3.164 1.00 0.00 N ATOM 843 CA PRO A 55 10.405 0.815 4.011 1.00 0.00 C ATOM 844 C PRO A 55 9.896 2.225 3.707 1.00 0.00 C ATOM 845 O PRO A 55 8.909 2.392 2.991 1.00 0.00 O ATOM 846 CB PRO A 55 11.890 0.647 3.733 1.00 0.00 C ATOM 847 CG PRO A 55 11.986 -0.094 2.410 1.00 0.00 C ATOM 848 CD PRO A 55 10.612 -0.662 2.093 1.00 0.00 C ATOM 0 HA PRO A 55 10.192 0.667 5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.388 1.615 3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.376 0.085 4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.313 0.580 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.724 -0.893 2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.261 -0.328 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.630 -1.752 2.070 1.00 0.00 H new ATOM 856 N ASP A 56 10.591 3.204 4.267 1.00 0.00 N ATOM 857 CA ASP A 56 10.221 4.595 4.066 1.00 0.00 C ATOM 858 C ASP A 56 11.019 5.165 2.891 1.00 0.00 C ATOM 859 O ASP A 56 10.671 6.214 2.351 1.00 0.00 O ATOM 860 CB ASP A 56 10.539 5.435 5.305 1.00 0.00 C ATOM 861 CG ASP A 56 9.373 6.271 5.835 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.518 5.774 6.583 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.362 7.501 5.444 1.00 0.00 O ATOM 0 H ASP A 56 11.409 3.062 4.860 1.00 0.00 H new ATOM 0 HA ASP A 56 9.150 4.634 3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.880 4.770 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.368 6.103 5.070 1.00 0.00 H new ATOM 869 N GLU A 57 12.073 4.449 2.530 1.00 0.00 N ATOM 870 CA GLU A 57 12.923 4.870 1.429 1.00 0.00 C ATOM 871 C GLU A 57 12.300 4.464 0.092 1.00 0.00 C ATOM 872 O GLU A 57 12.054 5.312 -0.765 1.00 0.00 O ATOM 873 CB GLU A 57 14.333 4.295 1.574 1.00 0.00 C ATOM 874 CG GLU A 57 15.368 5.207 0.911 1.00 0.00 C ATOM 875 CD GLU A 57 16.440 5.639 1.914 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.110 6.042 3.039 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.654 5.544 1.488 1.00 0.00 O ATOM 0 H GLU A 57 12.358 3.579 2.980 1.00 0.00 H new ATOM 0 HA GLU A 57 13.005 5.957 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.573 4.174 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.374 3.304 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.835 4.686 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.873 6.087 0.501 1.00 0.00 H new ATOM 885 N GLU A 58 12.062 3.168 -0.044 1.00 0.00 N ATOM 886 CA GLU A 58 11.473 2.639 -1.263 1.00 0.00 C ATOM 887 C GLU A 58 10.114 3.292 -1.521 1.00 0.00 C ATOM 888 O GLU A 58 9.587 3.220 -2.631 1.00 0.00 O ATOM 889 CB GLU A 58 11.345 1.116 -1.194 1.00 0.00 C ATOM 890 CG GLU A 58 12.409 0.437 -2.058 1.00 0.00 C ATOM 891 CD GLU A 58 12.392 0.990 -3.485 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.314 1.125 -4.084 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.550 1.284 -3.970 1.00 0.00 O ATOM 0 H GLU A 58 12.266 2.468 0.670 1.00 0.00 H new ATOM 0 HA GLU A 58 12.134 2.878 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.446 0.785 -0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.353 0.815 -1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.394 0.591 -1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.233 -0.639 -2.079 1.00 0.00 H new ATOM 901 N ALA A 59 9.584 3.915 -0.478 1.00 0.00 N ATOM 902 CA ALA A 59 8.296 4.581 -0.579 1.00 0.00 C ATOM 903 C ALA A 59 8.389 5.708 -1.609 1.00 0.00 C ATOM 904 O ALA A 59 7.503 5.860 -2.449 1.00 0.00 O ATOM 905 CB ALA A 59 7.874 5.086 0.802 1.00 0.00 C ATOM 0 H ALA A 59 10.023 3.973 0.441 1.00 0.00 H new ATOM 0 HA ALA A 59 7.529 3.886 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.908 5.586 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.794 4.243 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.618 5.789 1.175 1.00 0.00 H new ATOM 911 N GLU A 60 9.468 6.469 -1.512 1.00 0.00 N ATOM 912 CA GLU A 60 9.688 7.578 -2.425 1.00 0.00 C ATOM 913 C GLU A 60 9.654 7.087 -3.873 1.00 0.00 C ATOM 914 O GLU A 60 9.009 7.697 -4.725 1.00 0.00 O ATOM 915 CB GLU A 60 11.007 8.289 -2.117 1.00 0.00 C ATOM 916 CG GLU A 60 10.951 9.758 -2.542 1.00 0.00 C ATOM 917 CD GLU A 60 10.208 10.600 -1.503 1.00 0.00 C ATOM 918 OE1 GLU A 60 8.983 10.471 -1.361 1.00 0.00 O ATOM 919 OE2 GLU A 60 10.949 11.412 -0.828 1.00 0.00 O ATOM 0 H GLU A 60 10.201 6.340 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 60 8.884 8.301 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.219 8.223 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.824 7.788 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.963 10.142 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.453 9.842 -3.508 1.00 0.00 H new ATOM 927 N LYS A 61 10.357 5.989 -4.109 1.00 0.00 N ATOM 928 CA LYS A 61 10.416 5.409 -5.440 1.00 0.00 C ATOM 929 C LYS A 61 9.112 4.662 -5.724 1.00 0.00 C ATOM 930 O LYS A 61 8.931 4.111 -6.809 1.00 0.00 O ATOM 931 CB LYS A 61 11.667 4.541 -5.592 1.00 0.00 C ATOM 932 CG LYS A 61 12.411 4.873 -6.887 1.00 0.00 C ATOM 933 CD LYS A 61 12.567 3.629 -7.764 1.00 0.00 C ATOM 934 CE LYS A 61 13.983 3.059 -7.660 1.00 0.00 C ATOM 935 NZ LYS A 61 14.423 2.523 -8.967 1.00 0.00 N ATOM 0 H LYS A 61 10.891 5.485 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 61 10.506 6.192 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.328 4.696 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.386 3.488 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.868 5.643 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.394 5.282 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.843 2.873 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.348 3.881 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.671 3.837 -7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.009 2.269 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.386 2.140 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.776 1.767 -9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.417 3.285 -9.675 1.00 0.00 H new ATOM 948 N ILE A 62 8.235 4.667 -4.730 1.00 0.00 N ATOM 949 CA ILE A 62 6.953 3.997 -4.860 1.00 0.00 C ATOM 950 C ILE A 62 5.844 4.926 -4.361 1.00 0.00 C ATOM 951 O ILE A 62 4.847 4.466 -3.806 1.00 0.00 O ATOM 952 CB ILE A 62 6.983 2.640 -4.153 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.204 1.825 -4.583 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.676 1.877 -4.374 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.485 0.693 -3.593 1.00 0.00 C ATOM 0 H ILE A 62 8.388 5.125 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 62 6.741 3.780 -5.907 1.00 0.00 H new ATOM 0 HB ILE A 62 7.075 2.815 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.037 1.410 -5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.075 2.477 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.724 0.916 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.844 2.459 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.527 1.711 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.358 0.130 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.676 1.113 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.622 0.029 -3.545 1.00 0.00 H new ATOM 967 N THR A 63 6.055 6.216 -4.576 1.00 0.00 N ATOM 968 CA THR A 63 5.086 7.213 -4.155 1.00 0.00 C ATOM 969 C THR A 63 4.022 7.412 -5.236 1.00 0.00 C ATOM 970 O THR A 63 3.479 8.506 -5.384 1.00 0.00 O ATOM 971 CB THR A 63 5.847 8.495 -3.809 1.00 0.00 C ATOM 972 OG1 THR A 63 4.836 9.381 -3.336 1.00 0.00 O ATOM 973 CG2 THR A 63 6.408 9.196 -5.048 1.00 0.00 C ATOM 0 H THR A 63 6.883 6.594 -5.036 1.00 0.00 H new ATOM 0 HA THR A 63 4.545 6.888 -3.266 1.00 0.00 H new ATOM 0 HB THR A 63 6.663 8.260 -3.125 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.255 10.174 -2.941 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.938 10.099 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.096 8.527 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.590 9.462 -5.717 1.00 0.00 H new ATOM 981 N THR A 64 3.755 6.337 -5.963 1.00 0.00 N ATOM 982 CA THR A 64 2.765 6.379 -7.026 1.00 0.00 C ATOM 983 C THR A 64 1.790 5.207 -6.894 1.00 0.00 C ATOM 984 O THR A 64 1.850 4.451 -5.926 1.00 0.00 O ATOM 985 CB THR A 64 3.508 6.404 -8.363 1.00 0.00 C ATOM 986 OG1 THR A 64 4.424 5.317 -8.271 1.00 0.00 O ATOM 987 CG2 THR A 64 4.404 7.635 -8.513 1.00 0.00 C ATOM 0 H THR A 64 4.207 5.431 -5.837 1.00 0.00 H new ATOM 0 HA THR A 64 2.153 7.279 -6.961 1.00 0.00 H new ATOM 0 HB THR A 64 2.786 6.380 -9.179 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.341 5.662 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.908 7.603 -9.479 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.796 8.537 -8.451 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.148 7.643 -7.716 1.00 0.00 H new ATOM 995 N VAL A 65 0.914 5.094 -7.881 1.00 0.00 N ATOM 996 CA VAL A 65 -0.072 4.027 -7.888 1.00 0.00 C ATOM 997 C VAL A 65 0.431 2.878 -8.764 1.00 0.00 C ATOM 998 O VAL A 65 0.211 1.709 -8.448 1.00 0.00 O ATOM 999 CB VAL A 65 -1.429 4.571 -8.338 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.460 3.447 -8.455 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.921 5.669 -7.392 1.00 0.00 C ATOM 0 H VAL A 65 0.866 5.724 -8.682 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.212 3.631 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.301 5.012 -9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.415 3.862 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.118 2.714 -9.186 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.582 2.963 -7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.888 6.038 -7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.024 5.263 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.203 6.489 -7.381 1.00 0.00 H new ATOM 1011 N GLN A 66 1.098 3.250 -9.846 1.00 0.00 N ATOM 1012 CA GLN A 66 1.634 2.265 -10.770 1.00 0.00 C ATOM 1013 C GLN A 66 2.912 1.644 -10.201 1.00 0.00 C ATOM 1014 O GLN A 66 3.426 0.667 -10.743 1.00 0.00 O ATOM 1015 CB GLN A 66 1.891 2.885 -12.145 1.00 0.00 C ATOM 1016 CG GLN A 66 2.195 1.805 -13.185 1.00 0.00 C ATOM 1017 CD GLN A 66 1.002 1.591 -14.119 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.595 2.470 -14.860 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.465 0.377 -14.040 1.00 0.00 N ATOM 0 H GLN A 66 1.280 4.220 -10.104 1.00 0.00 H new ATOM 0 HA GLN A 66 0.894 1.475 -10.897 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.019 3.460 -12.457 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.727 3.581 -12.083 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.070 2.092 -13.768 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.440 0.870 -12.682 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.855 -0.313 -13.398 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.337 0.135 -14.622 1.00 0.00 H new ATOM 1028 N ALA A 67 3.389 2.238 -9.117 1.00 0.00 N ATOM 1029 CA ALA A 67 4.596 1.756 -8.469 1.00 0.00 C ATOM 1030 C ALA A 67 4.286 0.458 -7.722 1.00 0.00 C ATOM 1031 O ALA A 67 5.133 -0.430 -7.633 1.00 0.00 O ATOM 1032 CB ALA A 67 5.149 2.843 -7.545 1.00 0.00 C ATOM 0 H ALA A 67 2.961 3.049 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 67 5.366 1.534 -9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.055 2.481 -7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.382 3.733 -8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.405 3.090 -6.788 1.00 0.00 H new ATOM 1038 N ALA A 68 3.069 0.388 -7.202 1.00 0.00 N ATOM 1039 CA ALA A 68 2.636 -0.787 -6.465 1.00 0.00 C ATOM 1040 C ALA A 68 2.145 -1.849 -7.451 1.00 0.00 C ATOM 1041 O ALA A 68 1.623 -2.885 -7.043 1.00 0.00 O ATOM 1042 CB ALA A 68 1.559 -0.387 -5.454 1.00 0.00 C ATOM 0 H ALA A 68 2.369 1.126 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 68 3.466 -1.216 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.234 -1.268 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.967 0.347 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.708 0.045 -5.981 1.00 0.00 H new ATOM 1048 N ILE A 69 2.329 -1.555 -8.729 1.00 0.00 N ATOM 1049 CA ILE A 69 1.912 -2.472 -9.776 1.00 0.00 C ATOM 1050 C ILE A 69 3.145 -2.979 -10.526 1.00 0.00 C ATOM 1051 O ILE A 69 3.091 -4.013 -11.190 1.00 0.00 O ATOM 1052 CB ILE A 69 0.869 -1.813 -10.682 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.411 -1.499 -9.905 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.595 -2.672 -11.918 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.162 -0.325 -10.537 1.00 0.00 C ATOM 0 H ILE A 69 2.762 -0.694 -9.064 1.00 0.00 H new ATOM 0 HA ILE A 69 1.420 -3.344 -9.344 1.00 0.00 H new ATOM 0 HB ILE A 69 1.272 -0.864 -11.034 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.054 -2.379 -9.886 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.164 -1.262 -8.870 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.149 -2.181 -12.545 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.518 -2.800 -12.484 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.221 -3.648 -11.607 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.068 -0.123 -9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.525 0.559 -10.532 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.429 -0.574 -11.564 1.00 0.00 H new ATOM 1067 N ASP A 70 4.228 -2.227 -10.395 1.00 0.00 N ATOM 1068 CA ASP A 70 5.473 -2.588 -11.052 1.00 0.00 C ATOM 1069 C ASP A 70 6.353 -3.371 -10.075 1.00 0.00 C ATOM 1070 O ASP A 70 6.968 -4.367 -10.450 1.00 0.00 O ATOM 1071 CB ASP A 70 6.246 -1.342 -11.489 1.00 0.00 C ATOM 1072 CG ASP A 70 7.209 -1.555 -12.659 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.854 -1.336 -13.827 1.00 0.00 O ATOM 1074 OD2 ASP A 70 8.385 -1.970 -12.329 1.00 0.00 O ATOM 0 H ASP A 70 4.269 -1.370 -9.844 1.00 0.00 H new ATOM 0 HA ASP A 70 5.230 -3.188 -11.929 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.531 -0.567 -11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.812 -0.966 -10.636 1.00 0.00 H new ATOM 1080 N TYR A 71 6.384 -2.890 -8.841 1.00 0.00 N ATOM 1081 CA TYR A 71 7.177 -3.532 -7.807 1.00 0.00 C ATOM 1082 C TYR A 71 6.516 -4.828 -7.334 1.00 0.00 C ATOM 1083 O TYR A 71 7.202 -5.788 -6.985 1.00 0.00 O ATOM 1084 CB TYR A 71 7.229 -2.544 -6.640 1.00 0.00 C ATOM 1085 CG TYR A 71 8.606 -2.426 -5.985 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.633 -1.784 -6.648 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.823 -2.960 -4.731 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.929 -1.673 -6.032 1.00 0.00 C ATOM 1089 CE2 TYR A 71 10.119 -2.849 -4.115 1.00 0.00 C ATOM 1090 CZ TYR A 71 11.109 -2.210 -4.796 1.00 0.00 C ATOM 1091 OH TYR A 71 12.333 -2.105 -4.214 1.00 0.00 O ATOM 0 H TYR A 71 5.872 -2.063 -8.534 1.00 0.00 H new ATOM 0 HA TYR A 71 8.168 -3.784 -8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.922 -1.561 -6.996 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.504 -2.850 -5.886 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.464 -1.365 -7.629 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.020 -3.461 -4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.741 -1.174 -6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.302 -3.263 -3.135 1.00 0.00 H new ATOM 0 HH TYR A 71 12.314 -2.533 -3.333 1.00 0.00 H new ATOM 1101 N ILE A 72 5.191 -4.815 -7.338 1.00 0.00 N ATOM 1102 CA ILE A 72 4.430 -5.977 -6.914 1.00 0.00 C ATOM 1103 C ILE A 72 4.393 -7.000 -8.051 1.00 0.00 C ATOM 1104 O ILE A 72 4.389 -8.206 -7.806 1.00 0.00 O ATOM 1105 CB ILE A 72 3.044 -5.559 -6.418 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.135 -4.863 -5.059 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.089 -6.753 -6.389 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.810 -3.496 -5.186 1.00 0.00 C ATOM 0 H ILE A 72 4.625 -4.018 -7.628 1.00 0.00 H new ATOM 0 HA ILE A 72 4.914 -6.460 -6.065 1.00 0.00 H new ATOM 0 HB ILE A 72 2.633 -4.836 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.136 -4.741 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.697 -5.487 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.111 -6.428 -6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.991 -7.165 -7.393 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.483 -7.518 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.862 -3.023 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.818 -3.623 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.232 -2.866 -5.862 1.00 0.00 H new ATOM 1120 N ASN A 73 4.367 -6.482 -9.270 1.00 0.00 N ATOM 1121 CA ASN A 73 4.331 -7.335 -10.445 1.00 0.00 C ATOM 1122 C ASN A 73 5.371 -8.447 -10.296 1.00 0.00 C ATOM 1123 O ASN A 73 5.192 -9.545 -10.820 1.00 0.00 O ATOM 1124 CB ASN A 73 4.663 -6.543 -11.711 1.00 0.00 C ATOM 1125 CG ASN A 73 3.645 -6.825 -12.818 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.882 -7.594 -13.735 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.501 -6.160 -12.682 1.00 0.00 N ATOM 0 H ASN A 73 4.370 -5.482 -9.469 1.00 0.00 H new ATOM 0 HA ASN A 73 3.326 -7.747 -10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.673 -5.477 -11.485 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.663 -6.805 -12.056 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.757 -6.279 -13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.368 -5.531 -11.890 1.00 0.00 H new ATOM 1134 N GLY A 74 6.437 -8.123 -9.578 1.00 0.00 N ATOM 1135 CA GLY A 74 7.506 -9.081 -9.353 1.00 0.00 C ATOM 1136 C GLY A 74 6.964 -10.375 -8.744 1.00 0.00 C ATOM 1137 O GLY A 74 7.631 -11.408 -8.778 1.00 0.00 O ATOM 0 H GLY A 74 6.583 -7.211 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.007 -9.301 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.254 -8.648 -8.689 1.00 0.00 H new ATOM 1141 N HIS A 75 5.759 -10.277 -8.201 1.00 0.00 N ATOM 1142 CA HIS A 75 5.120 -11.428 -7.586 1.00 0.00 C ATOM 1143 C HIS A 75 4.866 -12.501 -8.646 1.00 0.00 C ATOM 1144 O HIS A 75 4.959 -13.694 -8.361 1.00 0.00 O ATOM 1145 CB HIS A 75 3.847 -11.011 -6.847 1.00 0.00 C ATOM 1146 CG HIS A 75 2.769 -12.069 -6.835 1.00 0.00 C ATOM 1147 ND1 HIS A 75 3.049 -13.423 -6.780 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.410 -11.958 -6.869 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.903 -14.088 -6.783 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.889 -13.178 -6.839 1.00 0.00 N ATOM 0 H HIS A 75 5.209 -9.419 -8.174 1.00 0.00 H new ATOM 0 HA HIS A 75 5.782 -11.859 -6.835 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.103 -10.756 -5.819 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.450 -10.108 -7.310 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.980 -13.839 -6.743 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.853 -11.034 -6.913 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.792 -15.162 -6.747 1.00 0.00 H new ATOM 1158 N GLN A 76 4.549 -12.039 -9.847 1.00 0.00 N ATOM 1159 CA GLN A 76 4.280 -12.945 -10.950 1.00 0.00 C ATOM 1160 C GLN A 76 5.364 -14.022 -11.028 1.00 0.00 C ATOM 1161 O GLN A 76 6.553 -13.710 -11.071 1.00 0.00 O ATOM 1162 CB GLN A 76 4.170 -12.182 -12.272 1.00 0.00 C ATOM 1163 CG GLN A 76 2.711 -12.062 -12.716 1.00 0.00 C ATOM 1164 CD GLN A 76 2.371 -10.620 -13.099 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.635 -9.730 -12.147 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 1.900 -10.335 -14.188 1.00 0.00 N flip ATOM 0 H GLN A 76 4.473 -11.049 -10.080 1.00 0.00 H new ATOM 0 HA GLN A 76 3.322 -13.433 -10.769 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.602 -11.188 -12.159 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.747 -12.695 -13.041 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.531 -12.720 -13.566 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.054 -12.393 -11.912 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.722 -11.068 -14.874 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.685 -9.363 -14.412 1.00 0.00 H new ATOM 1175 N ALA A 77 4.915 -15.269 -11.045 1.00 0.00 N ATOM 1176 CA ALA A 77 5.831 -16.394 -11.118 1.00 0.00 C ATOM 1177 C ALA A 77 6.801 -16.333 -9.936 1.00 0.00 C ATOM 1178 O ALA A 77 7.157 -17.363 -9.366 1.00 0.00 O ATOM 1179 CB ALA A 77 6.553 -16.379 -12.466 1.00 0.00 C ATOM 0 H ALA A 77 3.928 -15.525 -11.009 1.00 0.00 H new ATOM 0 HA ALA A 77 5.287 -17.336 -11.051 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.240 -17.223 -12.520 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.822 -16.454 -13.271 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.112 -15.449 -12.569 1.00 0.00 H new TER 1185 ALA A 77