USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 653 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 4 GLN : amide:sc= 0.76! C(o=-3.1!,f=-14!) USER MOD Set 1.2: A 5 LYS NZ :NH3+ -162:sc= 0.792 (180deg=-0.614) USER MOD Set 1.3: A 71 GLN : amide:sc= -4.66! C(o=-3.1!,f=-16!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -165:sc= 0.522 (180deg=-0.126) USER MOD Set 2.2: A 56 SER OG : rot 79:sc= -1.19! USER MOD Set 3.1: A 43 ASN : amide:sc= -0.752! C(o=-0.078!,f=-11!) USER MOD Set 3.2: A 46 SER OG : rot 79:sc= 0.674 USER MOD Set 4.1: A 30 THR OG1 : rot -78:sc= 0.136 USER MOD Set 4.2: A 31 SER OG : rot 120:sc= -0.148 USER MOD Set 5.1: A 15 GLN : amide:sc= 0.873 X(o=-3.2,f=-3.6) USER MOD Set 5.2: A 57 THR OG1 : rot 170:sc= -4.09! USER MOD Set 6.1: A 3 GLN : amide:sc= -3.94! C(o=-3.1!,f=-2.9!) USER MOD Set 6.2: A 66 GLN : amide:sc= 0.844 X(o=-3.1,f=-2.9) USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= -0.603 (180deg=-2.84!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 24 GLN : amide:sc= 0.41 K(o=0.41,f=-0.53) USER MOD Single : A 27 ASN :FLIP amide:sc= -1.22 F(o=-2!,f=-1.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.0387 (180deg=-0.76) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -0.0109 (180deg=-0.155) USER MOD Single : A 48 MET CE :methyl -161:sc= -0.0466 (180deg=-0.496) USER MOD Single : A 51 MET CE :methyl -139:sc= -3.5! (180deg=-6.12!) USER MOD Single : A 52 SER OG : rot -120:sc= -3.67! USER MOD Single : A 59 THR OG1 : rot 68:sc= -0.792 USER MOD Single : A 62 THR OG1 : rot 30:sc= -3.55! USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -5.22! (180deg=-6.25!) USER MOD Single : A 80 TYR OH : rot -21:sc= -4.8! USER MOD Single : A 82 GLN :FLIP amide:sc= -6.47! C(o=-10!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 19 N GLN A 3 -16.089 4.520 0.093 1.00 0.00 N ATOM 20 CA GLN A 3 -15.029 3.876 0.838 1.00 0.00 C ATOM 21 C GLN A 3 -15.568 2.983 1.946 1.00 0.00 C ATOM 22 O GLN A 3 -16.404 3.407 2.740 1.00 0.00 O ATOM 23 CB GLN A 3 -14.173 4.965 1.477 1.00 0.00 C ATOM 24 CG GLN A 3 -12.864 4.390 2.017 1.00 0.00 C ATOM 25 CD GLN A 3 -12.251 5.334 3.034 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.954 6.482 2.717 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.053 4.868 4.262 1.00 0.00 N ATOM 0 HA GLN A 3 -14.457 3.253 0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.957 5.740 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.727 5.439 2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.048 3.419 2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.166 4.226 1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.312 3.908 4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.642 5.470 4.976 1.00 0.00 H new ATOM 36 N GLN A 4 -15.051 1.761 2.024 1.00 0.00 N ATOM 37 CA GLN A 4 -15.351 0.839 3.107 1.00 0.00 C ATOM 38 C GLN A 4 -14.091 0.009 3.351 1.00 0.00 C ATOM 39 O GLN A 4 -13.188 0.025 2.518 1.00 0.00 O ATOM 40 CB GLN A 4 -16.562 -0.037 2.755 1.00 0.00 C ATOM 41 CG GLN A 4 -17.567 -0.064 3.911 1.00 0.00 C ATOM 42 CD GLN A 4 -16.911 -0.645 5.150 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.343 0.088 5.953 1.00 0.00 O ATOM 44 NE2 GLN A 4 -16.829 -1.965 5.239 1.00 0.00 N ATOM 0 H GLN A 4 -14.407 1.382 1.330 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.621 1.374 4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.045 0.346 1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.231 -1.051 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.925 0.945 4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.436 -0.661 3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.311 -2.553 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.284 -2.393 5.988 1.00 0.00 H new ATOM 53 N LYS A 5 -14.008 -0.715 4.464 1.00 0.00 N ATOM 54 CA LYS A 5 -12.878 -1.565 4.748 1.00 0.00 C ATOM 55 C LYS A 5 -13.299 -2.772 5.579 1.00 0.00 C ATOM 56 O LYS A 5 -14.312 -2.734 6.281 1.00 0.00 O ATOM 57 CB LYS A 5 -11.809 -0.760 5.481 1.00 0.00 C ATOM 58 CG LYS A 5 -12.344 -0.089 6.748 1.00 0.00 C ATOM 59 CD LYS A 5 -13.046 1.225 6.415 1.00 0.00 C ATOM 60 CE LYS A 5 -13.680 1.812 7.674 1.00 0.00 C ATOM 61 NZ LYS A 5 -14.716 0.915 8.214 1.00 0.00 N ATOM 0 H LYS A 5 -14.727 -0.722 5.188 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.470 -1.934 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.981 -1.418 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.410 0.002 4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.039 -0.759 7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.523 0.098 7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.331 1.932 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.811 1.056 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.911 1.980 8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.119 2.783 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.331 1.446 8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.286 0.533 7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.264 0.132 8.728 1.00 0.00 H new ATOM 75 N VAL A 6 -12.499 -3.833 5.489 1.00 0.00 N ATOM 76 CA VAL A 6 -12.650 -5.065 6.246 1.00 0.00 C ATOM 77 C VAL A 6 -11.261 -5.440 6.759 1.00 0.00 C ATOM 78 O VAL A 6 -10.336 -5.607 5.969 1.00 0.00 O ATOM 79 CB VAL A 6 -13.262 -6.154 5.360 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.706 -5.788 5.024 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.490 -6.309 4.050 1.00 0.00 C ATOM 0 H VAL A 6 -11.697 -3.854 4.860 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.329 -4.944 7.090 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.217 -7.093 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.141 -6.564 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.283 -5.703 5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.726 -4.836 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.952 -7.090 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.510 -5.367 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.457 -6.581 4.266 1.00 0.00 H new ATOM 91 N GLU A 7 -11.067 -5.502 8.077 1.00 0.00 N ATOM 92 CA GLU A 7 -9.741 -5.769 8.611 1.00 0.00 C ATOM 93 C GLU A 7 -9.418 -7.252 8.681 1.00 0.00 C ATOM 94 O GLU A 7 -10.301 -8.096 8.809 1.00 0.00 O ATOM 95 CB GLU A 7 -9.578 -5.094 9.977 1.00 0.00 C ATOM 96 CG GLU A 7 -8.163 -5.267 10.533 1.00 0.00 C ATOM 97 CD GLU A 7 -7.880 -4.309 11.681 1.00 0.00 C ATOM 98 OE1 GLU A 7 -7.528 -3.149 11.377 1.00 0.00 O ATOM 99 OE2 GLU A 7 -8.011 -4.763 12.838 1.00 0.00 O ATOM 0 H GLU A 7 -11.797 -5.373 8.778 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.019 -5.340 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.805 -4.032 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.298 -5.515 10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.031 -6.293 10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.438 -5.102 9.736 1.00 0.00 H new ATOM 106 N VAL A 8 -8.120 -7.535 8.594 1.00 0.00 N ATOM 107 CA VAL A 8 -7.537 -8.862 8.629 1.00 0.00 C ATOM 108 C VAL A 8 -6.084 -8.741 9.045 1.00 0.00 C ATOM 109 O VAL A 8 -5.578 -7.634 9.215 1.00 0.00 O ATOM 110 CB VAL A 8 -7.587 -9.468 7.234 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.976 -10.029 7.022 1.00 0.00 C ATOM 112 CG2 VAL A 8 -7.295 -8.415 6.167 1.00 0.00 C ATOM 0 H VAL A 8 -7.416 -6.804 8.492 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.087 -9.490 9.330 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.831 -10.249 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.042 -10.471 6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.178 -10.793 7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.710 -9.228 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.337 -8.876 5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.037 -7.619 6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.301 -7.997 6.330 1.00 0.00 H new ATOM 122 N ARG A 9 -5.372 -9.855 9.190 1.00 0.00 N ATOM 123 CA ARG A 9 -3.967 -9.682 9.482 1.00 0.00 C ATOM 124 C ARG A 9 -3.229 -9.586 8.164 1.00 0.00 C ATOM 125 O ARG A 9 -3.363 -10.453 7.301 1.00 0.00 O ATOM 126 CB ARG A 9 -3.387 -10.760 10.394 1.00 0.00 C ATOM 127 CG ARG A 9 -1.879 -10.542 10.552 1.00 0.00 C ATOM 128 CD ARG A 9 -1.138 -11.414 9.536 1.00 0.00 C ATOM 129 NE ARG A 9 -1.345 -12.840 9.801 1.00 0.00 N ATOM 130 CZ ARG A 9 -2.171 -13.632 9.102 1.00 0.00 C ATOM 131 NH1 ARG A 9 -3.013 -13.118 8.201 1.00 0.00 N ATOM 132 NH2 ARG A 9 -2.139 -14.953 9.289 1.00 0.00 N ATOM 0 H ARG A 9 -5.715 -10.813 9.116 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.841 -8.763 10.055 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.874 -10.726 11.369 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.580 -11.748 9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.633 -9.492 10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.566 -10.796 11.565 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.483 -11.176 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.072 -11.188 9.569 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.824 -13.260 10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.033 -12.111 8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.636 -13.732 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.488 -15.357 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.766 -15.558 8.759 1.00 0.00 H new ATOM 146 N LEU A 10 -2.452 -8.519 8.041 1.00 0.00 N ATOM 147 CA LEU A 10 -1.602 -8.180 6.924 1.00 0.00 C ATOM 148 C LEU A 10 -0.473 -9.200 6.821 1.00 0.00 C ATOM 149 O LEU A 10 0.693 -8.882 7.028 1.00 0.00 O ATOM 150 CB LEU A 10 -1.086 -6.778 7.240 1.00 0.00 C ATOM 151 CG LEU A 10 -0.102 -6.203 6.234 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.748 -6.079 4.858 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.285 -4.838 6.788 1.00 0.00 C ATOM 0 H LEU A 10 -2.401 -7.818 8.780 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.117 -8.195 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.939 -6.104 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.608 -6.797 8.220 1.00 0.00 H new ATOM 0 HG LEU A 10 0.770 -6.843 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.027 -5.665 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.066 -7.064 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.613 -5.419 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.996 -4.360 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.605 -4.216 6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.742 -4.960 7.770 1.00 0.00 H new ATOM 165 N LYS A 11 -0.819 -10.439 6.496 1.00 0.00 N ATOM 166 CA LYS A 11 0.102 -11.547 6.371 1.00 0.00 C ATOM 167 C LYS A 11 0.936 -11.375 5.103 1.00 0.00 C ATOM 168 O LYS A 11 2.044 -11.903 5.018 1.00 0.00 O ATOM 169 CB LYS A 11 -0.726 -12.833 6.409 1.00 0.00 C ATOM 170 CG LYS A 11 -0.035 -14.023 5.757 1.00 0.00 C ATOM 171 CD LYS A 11 -0.081 -13.864 4.240 1.00 0.00 C ATOM 172 CE LYS A 11 -1.498 -13.536 3.815 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.583 -13.403 2.361 1.00 0.00 N ATOM 0 H LYS A 11 -1.786 -10.703 6.306 1.00 0.00 H new ATOM 0 HA LYS A 11 0.821 -11.590 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.952 -13.079 7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.678 -12.657 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.999 -14.088 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.527 -14.950 6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.598 -13.072 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.253 -14.782 3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.175 -14.320 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.820 -12.609 4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.262 -12.653 2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.647 -13.159 1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.901 -14.303 1.948 1.00 0.00 H new ATOM 187 N THR A 12 0.409 -10.668 4.100 1.00 0.00 N ATOM 188 CA THR A 12 1.194 -10.280 2.948 1.00 0.00 C ATOM 189 C THR A 12 2.349 -9.416 3.451 1.00 0.00 C ATOM 190 O THR A 12 3.484 -9.553 3.008 1.00 0.00 O ATOM 191 CB THR A 12 0.339 -9.450 1.982 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.530 -8.604 2.715 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.507 -10.340 1.077 1.00 0.00 C ATOM 0 H THR A 12 -0.562 -10.357 4.072 1.00 0.00 H new ATOM 0 HA THR A 12 1.557 -11.165 2.425 1.00 0.00 H new ATOM 0 HB THR A 12 1.019 -8.862 1.365 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.073 -8.075 2.094 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.100 -9.718 0.406 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.145 -10.987 0.491 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.172 -10.952 1.687 1.00 0.00 H new ATOM 201 N GLY A 13 2.033 -8.489 4.365 1.00 0.00 N ATOM 202 CA GLY A 13 2.956 -7.508 4.921 1.00 0.00 C ATOM 203 C GLY A 13 3.704 -6.753 3.830 1.00 0.00 C ATOM 204 O GLY A 13 4.839 -6.337 4.030 1.00 0.00 O ATOM 0 H GLY A 13 1.091 -8.404 4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.405 -6.800 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.672 -8.010 5.572 1.00 0.00 H new ATOM 208 N LEU A 14 3.093 -6.688 2.645 1.00 0.00 N ATOM 209 CA LEU A 14 3.450 -5.861 1.510 1.00 0.00 C ATOM 210 C LEU A 14 4.950 -5.685 1.351 1.00 0.00 C ATOM 211 O LEU A 14 5.471 -4.571 1.362 1.00 0.00 O ATOM 212 CB LEU A 14 2.697 -4.551 1.551 1.00 0.00 C ATOM 213 CG LEU A 14 1.181 -4.733 1.392 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.718 -3.888 0.217 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.688 -6.160 1.150 1.00 0.00 C ATOM 0 H LEU A 14 2.272 -7.261 2.448 1.00 0.00 H new ATOM 0 HA LEU A 14 3.139 -6.388 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.901 -4.049 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.066 -3.900 0.758 1.00 0.00 H new ATOM 0 HG LEU A 14 0.763 -4.433 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.358 -4.004 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.950 -2.840 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.230 -4.213 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.398 -6.159 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.132 -6.548 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.978 -6.792 1.989 1.00 0.00 H new ATOM 227 N GLN A 15 5.635 -6.803 1.197 1.00 0.00 N ATOM 228 CA GLN A 15 7.069 -6.809 1.042 1.00 0.00 C ATOM 229 C GLN A 15 7.404 -6.616 -0.430 1.00 0.00 C ATOM 230 O GLN A 15 8.381 -5.944 -0.750 1.00 0.00 O ATOM 231 CB GLN A 15 7.615 -8.094 1.647 1.00 0.00 C ATOM 232 CG GLN A 15 7.301 -8.044 3.143 1.00 0.00 C ATOM 233 CD GLN A 15 7.244 -9.438 3.738 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.270 -10.061 3.983 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.037 -9.948 3.949 1.00 0.00 N ATOM 0 H GLN A 15 5.209 -7.729 1.177 1.00 0.00 H new ATOM 0 HA GLN A 15 7.547 -5.987 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.154 -8.966 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.689 -8.175 1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.062 -7.457 3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.348 -7.539 3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.206 -9.398 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.941 -10.890 4.328 1.00 0.00 H new ATOM 244 N ALA A 16 6.587 -7.178 -1.326 1.00 0.00 N ATOM 245 CA ALA A 16 6.761 -6.974 -2.750 1.00 0.00 C ATOM 246 C ALA A 16 5.688 -7.667 -3.577 1.00 0.00 C ATOM 247 O ALA A 16 4.899 -7.000 -4.245 1.00 0.00 O ATOM 248 CB ALA A 16 8.143 -7.453 -3.188 1.00 0.00 C ATOM 0 H ALA A 16 5.799 -7.778 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 16 6.667 -5.903 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.260 -7.294 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.909 -6.893 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.248 -8.515 -2.965 1.00 0.00 H new ATOM 254 N ARG A 17 5.656 -9.000 -3.530 1.00 0.00 N ATOM 255 CA ARG A 17 4.822 -9.786 -4.428 1.00 0.00 C ATOM 256 C ARG A 17 3.344 -9.573 -4.132 1.00 0.00 C ATOM 257 O ARG A 17 2.668 -8.869 -4.877 1.00 0.00 O ATOM 258 CB ARG A 17 5.233 -11.263 -4.414 1.00 0.00 C ATOM 259 CG ARG A 17 6.740 -11.406 -4.633 1.00 0.00 C ATOM 260 CD ARG A 17 7.429 -11.594 -3.284 1.00 0.00 C ATOM 261 NE ARG A 17 8.852 -11.259 -3.360 1.00 0.00 N ATOM 262 CZ ARG A 17 9.466 -10.458 -2.479 1.00 0.00 C ATOM 263 NH1 ARG A 17 8.784 -9.922 -1.460 1.00 0.00 N ATOM 264 NH2 ARG A 17 10.767 -10.191 -2.626 1.00 0.00 N ATOM 0 H ARG A 17 6.203 -9.557 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 17 4.983 -9.434 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.954 -11.714 -3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.694 -11.803 -5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.946 -12.258 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.132 -10.521 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.945 -10.966 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.314 -12.627 -2.956 1.00 0.00 H new ATOM 0 HE ARG A 17 9.403 -11.655 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.790 -10.122 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.258 -9.313 -0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.286 -10.596 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.241 -9.582 -1.959 1.00 0.00 H new ATOM 278 N PRO A 18 2.822 -10.160 -3.054 1.00 0.00 N ATOM 279 CA PRO A 18 1.457 -9.956 -2.637 1.00 0.00 C ATOM 280 C PRO A 18 1.230 -8.537 -2.173 1.00 0.00 C ATOM 281 O PRO A 18 0.090 -8.098 -2.103 1.00 0.00 O ATOM 282 CB PRO A 18 1.229 -10.911 -1.484 1.00 0.00 C ATOM 283 CG PRO A 18 2.619 -10.945 -0.868 1.00 0.00 C ATOM 284 CD PRO A 18 3.513 -10.990 -2.099 1.00 0.00 C ATOM 0 HA PRO A 18 0.771 -10.134 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.476 -10.545 -0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.901 -11.895 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.814 -10.066 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.761 -11.817 -0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.511 -10.607 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.635 -12.008 -2.468 1.00 0.00 H new ATOM 292 N ALA A 19 2.292 -7.825 -1.817 1.00 0.00 N ATOM 293 CA ALA A 19 2.203 -6.425 -1.504 1.00 0.00 C ATOM 294 C ALA A 19 1.580 -5.664 -2.673 1.00 0.00 C ATOM 295 O ALA A 19 0.506 -5.067 -2.559 1.00 0.00 O ATOM 296 CB ALA A 19 3.635 -5.977 -1.319 1.00 0.00 C ATOM 0 H ALA A 19 3.233 -8.211 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 19 1.588 -6.241 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.655 -4.915 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.091 -6.543 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.192 -6.150 -2.240 1.00 0.00 H new ATOM 302 N ALA A 20 2.278 -5.689 -3.808 1.00 0.00 N ATOM 303 CA ALA A 20 1.817 -5.016 -5.008 1.00 0.00 C ATOM 304 C ALA A 20 0.642 -5.772 -5.598 1.00 0.00 C ATOM 305 O ALA A 20 -0.237 -5.146 -6.171 1.00 0.00 O ATOM 306 CB ALA A 20 2.963 -4.911 -6.009 1.00 0.00 C ATOM 0 H ALA A 20 3.169 -6.173 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 20 1.485 -4.008 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.614 -4.405 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.781 -4.342 -5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.314 -5.910 -6.267 1.00 0.00 H new ATOM 312 N LEU A 21 0.602 -7.100 -5.469 1.00 0.00 N ATOM 313 CA LEU A 21 -0.540 -7.863 -5.955 1.00 0.00 C ATOM 314 C LEU A 21 -1.793 -7.342 -5.254 1.00 0.00 C ATOM 315 O LEU A 21 -2.788 -7.042 -5.902 1.00 0.00 O ATOM 316 CB LEU A 21 -0.309 -9.359 -5.758 1.00 0.00 C ATOM 317 CG LEU A 21 -1.237 -10.145 -6.684 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.774 -11.595 -6.760 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.674 -10.110 -6.174 1.00 0.00 C ATOM 0 H LEU A 21 1.338 -7.659 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.674 -7.729 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.731 -9.608 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.497 -9.633 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.202 -9.685 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.437 -12.154 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.243 -11.632 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.797 -12.037 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.314 -10.676 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.718 -10.551 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.019 -9.077 -6.128 1.00 0.00 H new ATOM 331 N PHE A 22 -1.704 -7.179 -3.932 1.00 0.00 N ATOM 332 CA PHE A 22 -2.684 -6.547 -3.066 1.00 0.00 C ATOM 333 C PHE A 22 -3.123 -5.233 -3.701 1.00 0.00 C ATOM 334 O PHE A 22 -4.274 -5.095 -4.127 1.00 0.00 O ATOM 335 CB PHE A 22 -1.969 -6.297 -1.730 1.00 0.00 C ATOM 336 CG PHE A 22 -2.600 -5.282 -0.814 1.00 0.00 C ATOM 337 CD1 PHE A 22 -3.663 -5.640 0.025 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.121 -3.961 -0.820 1.00 0.00 C ATOM 339 CE1 PHE A 22 -4.249 -4.671 0.855 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.699 -2.996 0.017 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.767 -3.352 0.857 1.00 0.00 C ATOM 0 H PHE A 22 -0.891 -7.508 -3.411 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.572 -7.162 -2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.902 -7.245 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.949 -5.978 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.030 -6.656 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.304 -3.688 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.075 -4.942 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.325 -1.983 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.217 -2.613 1.503 1.00 0.00 H new ATOM 351 N VAL A 23 -2.175 -4.292 -3.806 1.00 0.00 N ATOM 352 CA VAL A 23 -2.450 -2.971 -4.337 1.00 0.00 C ATOM 353 C VAL A 23 -3.137 -3.069 -5.699 1.00 0.00 C ATOM 354 O VAL A 23 -4.036 -2.290 -5.988 1.00 0.00 O ATOM 355 CB VAL A 23 -1.159 -2.144 -4.444 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.176 -2.339 -3.290 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.545 -2.299 -5.829 1.00 0.00 C ATOM 0 H VAL A 23 -1.205 -4.434 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.124 -2.463 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.440 -1.097 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.704 -1.716 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.654 -2.055 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.125 -3.386 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.369 -1.708 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.311 -3.348 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.253 -1.952 -6.582 1.00 0.00 H new ATOM 367 N GLN A 24 -2.682 -4.015 -6.521 1.00 0.00 N ATOM 368 CA GLN A 24 -3.075 -4.318 -7.877 1.00 0.00 C ATOM 369 C GLN A 24 -4.460 -4.944 -7.943 1.00 0.00 C ATOM 370 O GLN A 24 -5.141 -4.782 -8.948 1.00 0.00 O ATOM 371 CB GLN A 24 -1.982 -5.219 -8.456 1.00 0.00 C ATOM 372 CG GLN A 24 -2.321 -5.794 -9.825 1.00 0.00 C ATOM 373 CD GLN A 24 -2.886 -7.199 -9.677 1.00 0.00 C ATOM 374 OE1 GLN A 24 -2.139 -8.157 -9.514 1.00 0.00 O ATOM 375 NE2 GLN A 24 -4.207 -7.324 -9.700 1.00 0.00 N ATOM 0 H GLN A 24 -1.949 -4.651 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.162 -3.409 -8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.056 -4.649 -8.531 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.796 -6.040 -7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.046 -5.153 -10.328 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.428 -5.817 -10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.795 -6.502 -9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.635 -8.242 -9.579 1.00 0.00 H new ATOM 384 N GLU A 25 -4.875 -5.694 -6.929 1.00 0.00 N ATOM 385 CA GLU A 25 -6.202 -6.277 -6.867 1.00 0.00 C ATOM 386 C GLU A 25 -7.169 -5.148 -6.584 1.00 0.00 C ATOM 387 O GLU A 25 -8.196 -5.016 -7.242 1.00 0.00 O ATOM 388 CB GLU A 25 -6.242 -7.306 -5.742 1.00 0.00 C ATOM 389 CG GLU A 25 -5.290 -8.452 -6.056 1.00 0.00 C ATOM 390 CD GLU A 25 -5.846 -9.333 -7.161 1.00 0.00 C ATOM 391 OE1 GLU A 25 -6.962 -9.857 -6.956 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.175 -9.449 -8.209 1.00 0.00 O ATOM 0 H GLU A 25 -4.292 -5.914 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.466 -6.777 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.963 -6.837 -4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.256 -7.687 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.321 -8.053 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.124 -9.048 -5.159 1.00 0.00 H new ATOM 399 N ALA A 26 -6.801 -4.329 -5.599 1.00 0.00 N ATOM 400 CA ALA A 26 -7.523 -3.115 -5.275 1.00 0.00 C ATOM 401 C ALA A 26 -7.650 -2.283 -6.553 1.00 0.00 C ATOM 402 O ALA A 26 -8.744 -1.927 -6.996 1.00 0.00 O ATOM 403 CB ALA A 26 -6.694 -2.368 -4.238 1.00 0.00 C ATOM 0 H ALA A 26 -5.989 -4.496 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.519 -3.319 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.202 -1.443 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.572 -2.991 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.715 -2.134 -4.655 1.00 0.00 H new ATOM 409 N ASN A 27 -6.483 -2.052 -7.158 1.00 0.00 N ATOM 410 CA ASN A 27 -6.253 -1.339 -8.399 1.00 0.00 C ATOM 411 C ASN A 27 -7.185 -1.814 -9.488 1.00 0.00 C ATOM 412 O ASN A 27 -7.848 -1.038 -10.168 1.00 0.00 O ATOM 413 CB ASN A 27 -4.882 -1.779 -8.910 1.00 0.00 C ATOM 414 CG ASN A 27 -3.876 -0.636 -8.892 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.430 -0.240 -7.705 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 -3.505 -0.111 -9.934 1.00 0.00 N flip ATOM 0 H ASN A 27 -5.610 -2.389 -6.753 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.371 -0.273 -8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.511 -2.599 -8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.979 -2.162 -9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.868 -0.440 -10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.833 0.656 -9.908 1.00 0.00 H new ATOM 423 N ARG A 28 -7.165 -3.135 -9.635 1.00 0.00 N ATOM 424 CA ARG A 28 -7.864 -3.928 -10.616 1.00 0.00 C ATOM 425 C ARG A 28 -9.354 -3.635 -10.660 1.00 0.00 C ATOM 426 O ARG A 28 -10.024 -3.972 -11.633 1.00 0.00 O ATOM 427 CB ARG A 28 -7.586 -5.370 -10.240 1.00 0.00 C ATOM 428 CG ARG A 28 -7.211 -6.172 -11.469 1.00 0.00 C ATOM 429 CD ARG A 28 -8.421 -7.025 -11.851 1.00 0.00 C ATOM 430 NE ARG A 28 -9.012 -7.657 -10.663 1.00 0.00 N ATOM 431 CZ ARG A 28 -8.351 -8.475 -9.834 1.00 0.00 C ATOM 432 NH1 ARG A 28 -7.141 -8.933 -10.170 1.00 0.00 N ATOM 433 NH2 ARG A 28 -8.900 -8.813 -8.665 1.00 0.00 N ATOM 0 H ARG A 28 -6.608 -3.720 -9.012 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.514 -3.695 -11.622 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.778 -5.413 -9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.466 -5.806 -9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.935 -5.509 -12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.346 -6.804 -11.265 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.167 -6.404 -12.347 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.120 -7.792 -12.564 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.991 -7.459 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.721 -8.659 -11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.638 -9.556 -9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.817 -8.449 -8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.402 -9.436 -8.029 1.00 0.00 H new ATOM 447 N PHE A 29 -9.880 -3.037 -9.597 1.00 0.00 N ATOM 448 CA PHE A 29 -11.253 -2.625 -9.588 1.00 0.00 C ATOM 449 C PHE A 29 -11.327 -1.178 -10.063 1.00 0.00 C ATOM 450 O PHE A 29 -11.481 -0.929 -11.254 1.00 0.00 O ATOM 451 CB PHE A 29 -11.803 -2.870 -8.188 1.00 0.00 C ATOM 452 CG PHE A 29 -11.972 -4.344 -7.895 1.00 0.00 C ATOM 453 CD1 PHE A 29 -11.949 -5.277 -8.949 1.00 0.00 C ATOM 454 CD2 PHE A 29 -12.100 -4.791 -6.570 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.108 -6.647 -8.686 1.00 0.00 C ATOM 456 CE2 PHE A 29 -12.232 -6.164 -6.308 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.255 -7.091 -7.363 1.00 0.00 C ATOM 0 H PHE A 29 -9.367 -2.833 -8.739 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.879 -3.196 -10.274 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.131 -2.429 -7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.764 -2.367 -8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.808 -4.937 -9.965 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.097 -4.081 -5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.117 -7.357 -9.500 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.316 -6.510 -5.288 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.386 -8.143 -7.156 1.00 0.00 H new ATOM 467 N THR A 30 -11.255 -0.227 -9.134 1.00 0.00 N ATOM 468 CA THR A 30 -11.295 1.202 -9.431 1.00 0.00 C ATOM 469 C THR A 30 -10.775 1.956 -8.214 1.00 0.00 C ATOM 470 O THR A 30 -9.858 2.767 -8.284 1.00 0.00 O ATOM 471 CB THR A 30 -12.739 1.639 -9.706 1.00 0.00 C ATOM 472 OG1 THR A 30 -13.609 1.031 -8.768 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.187 1.276 -11.117 1.00 0.00 C ATOM 0 H THR A 30 -11.166 -0.431 -8.139 1.00 0.00 H new ATOM 0 HA THR A 30 -10.684 1.414 -10.309 1.00 0.00 H new ATOM 0 HB THR A 30 -12.777 2.724 -9.610 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.771 0.100 -9.028 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.215 1.604 -11.268 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.539 1.768 -11.842 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.127 0.196 -11.251 1.00 0.00 H new ATOM 481 N SER A 31 -11.456 1.660 -7.108 1.00 0.00 N ATOM 482 CA SER A 31 -11.317 2.135 -5.756 1.00 0.00 C ATOM 483 C SER A 31 -9.972 2.703 -5.351 1.00 0.00 C ATOM 484 O SER A 31 -8.914 2.103 -5.540 1.00 0.00 O ATOM 485 CB SER A 31 -11.690 0.966 -4.854 1.00 0.00 C ATOM 486 OG SER A 31 -12.882 0.378 -5.349 1.00 0.00 O ATOM 0 H SER A 31 -12.221 0.987 -7.162 1.00 0.00 H new ATOM 0 HA SER A 31 -11.972 3.001 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.885 0.231 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.834 1.309 -3.829 1.00 0.00 H new ATOM 0 HG SER A 31 -12.713 -0.559 -5.581 1.00 0.00 H new ATOM 492 N ASP A 32 -10.053 3.856 -4.692 1.00 0.00 N ATOM 493 CA ASP A 32 -8.915 4.437 -4.032 1.00 0.00 C ATOM 494 C ASP A 32 -8.784 3.595 -2.774 1.00 0.00 C ATOM 495 O ASP A 32 -9.475 3.812 -1.784 1.00 0.00 O ATOM 496 CB ASP A 32 -9.215 5.891 -3.729 1.00 0.00 C ATOM 497 CG ASP A 32 -7.944 6.615 -3.340 1.00 0.00 C ATOM 498 OD1 ASP A 32 -6.965 6.466 -4.103 1.00 0.00 O ATOM 499 OD2 ASP A 32 -7.966 7.287 -2.289 1.00 0.00 O ATOM 0 H ASP A 32 -10.910 4.402 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.993 4.436 -4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.662 6.368 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.943 5.959 -2.921 1.00 0.00 H new ATOM 504 N VAL A 33 -8.022 2.524 -2.902 1.00 0.00 N ATOM 505 CA VAL A 33 -7.925 1.491 -1.896 1.00 0.00 C ATOM 506 C VAL A 33 -7.039 1.907 -0.737 1.00 0.00 C ATOM 507 O VAL A 33 -6.080 2.656 -0.913 1.00 0.00 O ATOM 508 CB VAL A 33 -7.465 0.223 -2.599 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.333 -0.942 -1.623 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.525 -0.050 -3.666 1.00 0.00 C ATOM 0 H VAL A 33 -7.444 2.348 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.893 1.307 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.475 0.341 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.003 -1.831 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.603 -0.691 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.299 -1.138 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.262 -0.953 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.495 -0.186 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.575 0.794 -4.354 1.00 0.00 H new ATOM 520 N PHE A 34 -7.370 1.430 0.461 1.00 0.00 N ATOM 521 CA PHE A 34 -6.642 1.755 1.672 1.00 0.00 C ATOM 522 C PHE A 34 -6.315 0.499 2.470 1.00 0.00 C ATOM 523 O PHE A 34 -6.875 -0.567 2.238 1.00 0.00 O ATOM 524 CB PHE A 34 -7.410 2.738 2.570 1.00 0.00 C ATOM 525 CG PHE A 34 -7.829 4.070 1.979 1.00 0.00 C ATOM 526 CD1 PHE A 34 -7.283 4.546 0.774 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.799 4.835 2.647 1.00 0.00 C ATOM 528 CE1 PHE A 34 -7.759 5.735 0.200 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.229 6.058 2.105 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.713 6.508 0.878 1.00 0.00 C ATOM 0 H PHE A 34 -8.159 0.802 0.613 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.717 2.235 1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.309 2.233 2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.793 2.941 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.493 3.994 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.215 4.483 3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.391 6.055 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.958 6.654 2.633 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.049 7.445 0.459 1.00 0.00 H new ATOM 540 N LEU A 35 -5.388 0.620 3.410 1.00 0.00 N ATOM 541 CA LEU A 35 -5.021 -0.440 4.330 1.00 0.00 C ATOM 542 C LEU A 35 -4.715 0.256 5.646 1.00 0.00 C ATOM 543 O LEU A 35 -3.942 1.209 5.650 1.00 0.00 O ATOM 544 CB LEU A 35 -3.831 -1.217 3.771 1.00 0.00 C ATOM 545 CG LEU A 35 -3.497 -2.416 4.653 1.00 0.00 C ATOM 546 CD1 LEU A 35 -2.683 -3.417 3.841 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.672 -1.962 5.854 1.00 0.00 C ATOM 0 H LEU A 35 -4.859 1.480 3.555 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.810 -1.177 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.056 -1.556 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.964 -0.560 3.701 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.421 -2.877 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.439 -4.278 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.264 -3.745 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.762 -2.945 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.437 -2.823 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.747 -1.502 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.243 -1.237 6.434 1.00 0.00 H new ATOM 559 N GLU A 36 -5.348 -0.152 6.742 1.00 0.00 N ATOM 560 CA GLU A 36 -5.208 0.583 7.990 1.00 0.00 C ATOM 561 C GLU A 36 -4.794 -0.320 9.145 1.00 0.00 C ATOM 562 O GLU A 36 -5.628 -1.078 9.635 1.00 0.00 O ATOM 563 CB GLU A 36 -6.529 1.276 8.330 1.00 0.00 C ATOM 564 CG GLU A 36 -7.541 1.199 7.186 1.00 0.00 C ATOM 565 CD GLU A 36 -8.931 1.578 7.663 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.135 2.786 7.908 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.766 0.656 7.765 1.00 0.00 O ATOM 0 H GLU A 36 -5.952 -0.973 6.790 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.419 1.322 7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.957 0.818 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.336 2.321 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.235 1.866 6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.556 0.189 6.776 1.00 0.00 H new ATOM 574 N LYS A 37 -3.553 -0.209 9.622 1.00 0.00 N ATOM 575 CA LYS A 37 -3.043 -1.020 10.722 1.00 0.00 C ATOM 576 C LYS A 37 -3.818 -0.707 11.989 1.00 0.00 C ATOM 577 O LYS A 37 -3.525 0.282 12.659 1.00 0.00 O ATOM 578 CB LYS A 37 -1.566 -0.721 10.945 1.00 0.00 C ATOM 579 CG LYS A 37 -0.709 -1.190 9.775 1.00 0.00 C ATOM 580 CD LYS A 37 0.753 -0.963 10.154 1.00 0.00 C ATOM 581 CE LYS A 37 1.078 -1.683 11.464 1.00 0.00 C ATOM 582 NZ LYS A 37 2.483 -1.468 11.842 1.00 0.00 N ATOM 0 H LYS A 37 -2.871 0.452 9.251 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.163 -2.074 10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.430 0.351 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.231 -1.210 11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.891 -2.244 9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.960 -0.637 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.403 -1.328 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.947 0.104 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.424 -1.320 12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.885 -2.750 11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.754 -2.154 12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.090 -1.596 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.600 -0.502 12.210 1.00 0.00 H new ATOM 596 N ASP A 38 -4.840 -1.509 12.285 1.00 0.00 N ATOM 597 CA ASP A 38 -5.743 -1.299 13.402 1.00 0.00 C ATOM 598 C ASP A 38 -6.290 0.127 13.353 1.00 0.00 C ATOM 599 O ASP A 38 -6.527 0.739 14.392 1.00 0.00 O ATOM 600 CB ASP A 38 -5.002 -1.555 14.713 1.00 0.00 C ATOM 601 CG ASP A 38 -4.452 -2.973 14.790 1.00 0.00 C ATOM 602 OD1 ASP A 38 -5.257 -3.874 15.120 1.00 0.00 O ATOM 603 OD2 ASP A 38 -3.243 -3.132 14.525 1.00 0.00 O ATOM 0 H ASP A 38 -5.063 -2.341 11.738 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.581 -1.993 13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.183 -0.843 14.812 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.677 -1.382 15.551 1.00 0.00 H new ATOM 608 N GLY A 39 -6.462 0.676 12.145 1.00 0.00 N ATOM 609 CA GLY A 39 -6.892 2.055 12.024 1.00 0.00 C ATOM 610 C GLY A 39 -5.862 2.924 11.302 1.00 0.00 C ATOM 611 O GLY A 39 -6.227 3.939 10.712 1.00 0.00 O ATOM 0 H GLY A 39 -6.311 0.191 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.838 2.092 11.483 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.076 2.464 13.017 1.00 0.00 H new ATOM 615 N LYS A 40 -4.578 2.544 11.310 1.00 0.00 N ATOM 616 CA LYS A 40 -3.531 3.311 10.653 1.00 0.00 C ATOM 617 C LYS A 40 -3.646 3.103 9.149 1.00 0.00 C ATOM 618 O LYS A 40 -2.906 2.302 8.578 1.00 0.00 O ATOM 619 CB LYS A 40 -2.158 2.854 11.146 1.00 0.00 C ATOM 620 CG LYS A 40 -2.115 2.759 12.672 1.00 0.00 C ATOM 621 CD LYS A 40 -0.668 2.651 13.147 1.00 0.00 C ATOM 622 CE LYS A 40 0.042 3.983 12.901 1.00 0.00 C ATOM 623 NZ LYS A 40 1.449 3.930 13.332 1.00 0.00 N ATOM 0 H LYS A 40 -4.244 1.698 11.772 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.644 4.369 10.888 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.919 1.883 10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.395 3.553 10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.587 3.637 13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.682 1.891 13.007 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.638 2.400 14.207 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.157 1.849 12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.006 4.232 11.841 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.475 4.777 13.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.902 4.849 13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.493 3.716 14.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.947 3.188 12.800 1.00 0.00 H new ATOM 637 N LYS A 41 -4.619 3.761 8.528 1.00 0.00 N ATOM 638 CA LYS A 41 -4.879 3.551 7.123 1.00 0.00 C ATOM 639 C LYS A 41 -4.016 4.398 6.204 1.00 0.00 C ATOM 640 O LYS A 41 -3.608 5.515 6.519 1.00 0.00 O ATOM 641 CB LYS A 41 -6.370 3.699 6.833 1.00 0.00 C ATOM 642 CG LYS A 41 -6.748 4.585 5.642 1.00 0.00 C ATOM 643 CD LYS A 41 -6.486 6.064 5.914 1.00 0.00 C ATOM 644 CE LYS A 41 -6.768 6.836 4.628 1.00 0.00 C ATOM 645 NZ LYS A 41 -5.867 6.425 3.537 1.00 0.00 N ATOM 0 H LYS A 41 -5.233 4.439 8.979 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.586 2.526 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.786 2.705 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.853 4.100 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.180 4.273 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.803 4.442 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.125 6.422 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.455 6.216 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.803 6.674 4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.653 7.904 4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.816 7.182 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.917 6.245 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.231 5.557 3.094 1.00 0.00 H new ATOM 659 N VAL A 42 -3.811 3.840 5.022 1.00 0.00 N ATOM 660 CA VAL A 42 -3.037 4.410 3.948 1.00 0.00 C ATOM 661 C VAL A 42 -3.632 3.953 2.631 1.00 0.00 C ATOM 662 O VAL A 42 -4.534 3.120 2.612 1.00 0.00 O ATOM 663 CB VAL A 42 -1.593 3.953 4.115 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.549 2.425 4.088 1.00 0.00 C ATOM 665 CG2 VAL A 42 -0.662 4.556 3.075 1.00 0.00 C ATOM 0 H VAL A 42 -4.203 2.930 4.780 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.057 5.500 3.963 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.229 4.312 5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.519 2.089 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.156 2.029 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.940 2.067 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.353 4.196 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.991 4.263 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.679 5.643 3.158 1.00 0.00 H new ATOM 675 N ASN A 43 -3.129 4.497 1.530 1.00 0.00 N ATOM 676 CA ASN A 43 -3.611 4.159 0.207 1.00 0.00 C ATOM 677 C ASN A 43 -3.017 2.837 -0.225 1.00 0.00 C ATOM 678 O ASN A 43 -1.942 2.789 -0.812 1.00 0.00 O ATOM 679 CB ASN A 43 -3.275 5.278 -0.768 1.00 0.00 C ATOM 680 CG ASN A 43 -4.074 5.118 -2.047 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.910 4.148 -2.782 1.00 0.00 O ATOM 682 ND2 ASN A 43 -4.936 6.087 -2.323 1.00 0.00 N ATOM 0 H ASN A 43 -2.375 5.184 1.535 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.695 4.051 0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.493 6.244 -0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.209 5.266 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.495 6.045 -3.175 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.040 6.875 -1.683 1.00 0.00 H new ATOM 689 N ALA A 44 -3.762 1.778 0.067 1.00 0.00 N ATOM 690 CA ALA A 44 -3.430 0.388 -0.163 1.00 0.00 C ATOM 691 C ALA A 44 -2.940 0.126 -1.576 1.00 0.00 C ATOM 692 O ALA A 44 -2.001 -0.639 -1.774 1.00 0.00 O ATOM 693 CB ALA A 44 -4.689 -0.443 0.052 1.00 0.00 C ATOM 0 H ALA A 44 -4.679 1.882 0.502 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.629 0.123 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.463 -1.496 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.045 -0.307 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.461 -0.122 -0.647 1.00 0.00 H new ATOM 699 N LYS A 45 -3.603 0.740 -2.553 1.00 0.00 N ATOM 700 CA LYS A 45 -3.256 0.534 -3.949 1.00 0.00 C ATOM 701 C LYS A 45 -2.027 1.350 -4.365 1.00 0.00 C ATOM 702 O LYS A 45 -1.496 1.148 -5.454 1.00 0.00 O ATOM 703 CB LYS A 45 -4.467 0.852 -4.823 1.00 0.00 C ATOM 704 CG LYS A 45 -4.997 2.252 -4.522 1.00 0.00 C ATOM 705 CD LYS A 45 -5.931 2.713 -5.641 1.00 0.00 C ATOM 706 CE LYS A 45 -5.235 2.573 -6.996 1.00 0.00 C ATOM 707 NZ LYS A 45 -3.992 3.362 -7.050 1.00 0.00 N ATOM 0 H LYS A 45 -4.381 1.382 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.983 -0.512 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.191 0.781 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.251 0.115 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.529 2.251 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.166 2.950 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.845 2.120 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.222 3.751 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.009 1.523 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.909 2.900 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.654 3.411 -8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.176 4.323 -6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.267 2.909 -6.457 1.00 0.00 H new ATOM 721 N SER A 46 -1.607 2.296 -3.524 1.00 0.00 N ATOM 722 CA SER A 46 -0.463 3.152 -3.769 1.00 0.00 C ATOM 723 C SER A 46 0.790 2.731 -3.008 1.00 0.00 C ATOM 724 O SER A 46 0.730 2.028 -2.003 1.00 0.00 O ATOM 725 CB SER A 46 -0.812 4.569 -3.347 1.00 0.00 C ATOM 726 OG SER A 46 -1.800 5.089 -4.209 1.00 0.00 O ATOM 0 H SER A 46 -2.069 2.487 -2.635 1.00 0.00 H new ATOM 0 HA SER A 46 -0.241 3.077 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.173 4.575 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.078 5.198 -3.376 1.00 0.00 H new ATOM 0 HG SER A 46 -2.677 4.736 -3.952 1.00 0.00 H new ATOM 732 N ILE A 47 1.928 3.258 -3.466 1.00 0.00 N ATOM 733 CA ILE A 47 3.264 3.052 -2.923 1.00 0.00 C ATOM 734 C ILE A 47 3.314 3.042 -1.392 1.00 0.00 C ATOM 735 O ILE A 47 3.748 2.061 -0.800 1.00 0.00 O ATOM 736 CB ILE A 47 4.195 4.118 -3.522 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.667 3.817 -3.220 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.831 5.528 -3.042 1.00 0.00 C ATOM 739 CD1 ILE A 47 6.043 4.163 -1.781 1.00 0.00 C ATOM 0 H ILE A 47 1.937 3.878 -4.276 1.00 0.00 H new ATOM 0 HA ILE A 47 3.599 2.055 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 47 4.054 4.083 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.865 2.761 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.300 4.382 -3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.513 6.252 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.809 5.761 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.912 5.575 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.095 3.932 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.872 5.225 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.430 3.579 -1.094 1.00 0.00 H new ATOM 751 N MET A 48 2.887 4.126 -0.743 1.00 0.00 N ATOM 752 CA MET A 48 2.966 4.244 0.704 1.00 0.00 C ATOM 753 C MET A 48 1.898 3.403 1.406 1.00 0.00 C ATOM 754 O MET A 48 2.063 3.030 2.568 1.00 0.00 O ATOM 755 CB MET A 48 2.890 5.722 1.069 1.00 0.00 C ATOM 756 CG MET A 48 3.000 5.884 2.585 1.00 0.00 C ATOM 757 SD MET A 48 3.184 7.584 3.168 1.00 0.00 S ATOM 758 CE MET A 48 4.822 7.934 2.498 1.00 0.00 C ATOM 0 H MET A 48 2.480 4.939 -1.206 1.00 0.00 H new ATOM 0 HA MET A 48 3.916 3.843 1.056 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.693 6.270 0.576 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.950 6.146 0.715 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.111 5.454 3.045 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.853 5.303 2.935 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.254 8.788 3.020 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.464 7.064 2.634 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.739 8.162 1.435 1.00 0.00 H new ATOM 768 N GLY A 49 0.800 3.101 0.716 1.00 0.00 N ATOM 769 CA GLY A 49 -0.213 2.251 1.298 1.00 0.00 C ATOM 770 C GLY A 49 0.349 0.848 1.382 1.00 0.00 C ATOM 771 O GLY A 49 0.281 0.227 2.434 1.00 0.00 O ATOM 0 H GLY A 49 0.599 3.429 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.490 2.611 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.117 2.264 0.690 1.00 0.00 H new ATOM 775 N LEU A 50 0.929 0.387 0.276 1.00 0.00 N ATOM 776 CA LEU A 50 1.540 -0.909 0.126 1.00 0.00 C ATOM 777 C LEU A 50 2.842 -1.016 0.920 1.00 0.00 C ATOM 778 O LEU A 50 2.908 -1.726 1.917 1.00 0.00 O ATOM 779 CB LEU A 50 1.714 -1.114 -1.386 1.00 0.00 C ATOM 780 CG LEU A 50 3.012 -1.778 -1.842 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.172 -3.122 -1.158 1.00 0.00 C ATOM 782 CD2 LEU A 50 2.979 -1.993 -3.352 1.00 0.00 C ATOM 0 H LEU A 50 0.982 0.944 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 50 0.921 -1.706 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.879 -1.715 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.640 -0.141 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 50 3.849 -1.131 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.100 -3.590 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.202 -2.979 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.330 -3.764 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.907 -2.467 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.136 -2.634 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.870 -1.032 -3.854 1.00 0.00 H new ATOM 794 N MET A 51 3.884 -0.326 0.470 1.00 0.00 N ATOM 795 CA MET A 51 5.217 -0.442 1.023 1.00 0.00 C ATOM 796 C MET A 51 5.317 0.136 2.425 1.00 0.00 C ATOM 797 O MET A 51 6.057 -0.391 3.249 1.00 0.00 O ATOM 798 CB MET A 51 6.196 0.224 0.048 1.00 0.00 C ATOM 799 CG MET A 51 7.636 0.229 0.569 1.00 0.00 C ATOM 800 SD MET A 51 8.091 1.644 1.607 1.00 0.00 S ATOM 801 CE MET A 51 7.886 2.963 0.396 1.00 0.00 C ATOM 0 H MET A 51 3.819 0.338 -0.301 1.00 0.00 H new ATOM 0 HA MET A 51 5.472 -1.496 1.135 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.162 -0.298 -0.908 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.877 1.250 -0.137 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.799 -0.685 1.140 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.312 0.196 -0.285 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.700 3.681 0.498 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.899 2.540 -0.608 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.934 3.467 0.565 1.00 0.00 H new ATOM 811 N SER A 52 4.611 1.227 2.704 1.00 0.00 N ATOM 812 CA SER A 52 4.746 1.846 4.006 1.00 0.00 C ATOM 813 C SER A 52 3.916 1.135 5.072 1.00 0.00 C ATOM 814 O SER A 52 4.469 0.488 5.954 1.00 0.00 O ATOM 815 CB SER A 52 4.437 3.336 3.909 1.00 0.00 C ATOM 816 OG SER A 52 5.163 3.890 2.827 1.00 0.00 O ATOM 0 H SER A 52 3.961 1.685 2.065 1.00 0.00 H new ATOM 0 HA SER A 52 5.781 1.742 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.368 3.490 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.706 3.837 4.839 1.00 0.00 H new ATOM 0 HG SER A 52 5.760 4.593 3.159 1.00 0.00 H new ATOM 822 N LEU A 53 2.590 1.262 5.030 1.00 0.00 N ATOM 823 CA LEU A 53 1.777 0.667 6.079 1.00 0.00 C ATOM 824 C LEU A 53 1.547 -0.823 5.856 1.00 0.00 C ATOM 825 O LEU A 53 1.800 -1.640 6.745 1.00 0.00 O ATOM 826 CB LEU A 53 0.461 1.422 6.191 1.00 0.00 C ATOM 827 CG LEU A 53 0.692 2.842 6.704 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.383 3.743 5.682 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.671 3.440 6.984 1.00 0.00 C ATOM 0 H LEU A 53 2.072 1.756 4.303 1.00 0.00 H new ATOM 0 HA LEU A 53 2.319 0.753 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.027 1.457 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.211 0.892 6.865 1.00 0.00 H new ATOM 0 HG LEU A 53 1.334 2.783 7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.518 4.738 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.355 3.323 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.769 3.812 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.552 4.458 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.258 3.454 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.185 2.839 7.734 1.00 0.00 H new ATOM 841 N ALA A 54 1.078 -1.175 4.658 1.00 0.00 N ATOM 842 CA ALA A 54 0.773 -2.534 4.241 1.00 0.00 C ATOM 843 C ALA A 54 1.966 -3.480 4.399 1.00 0.00 C ATOM 844 O ALA A 54 1.780 -4.692 4.412 1.00 0.00 O ATOM 845 CB ALA A 54 0.253 -2.513 2.802 1.00 0.00 C ATOM 0 H ALA A 54 0.895 -0.489 3.926 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.002 -2.928 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.023 -3.530 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.649 -1.903 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.015 -2.091 2.146 1.00 0.00 H new ATOM 851 N VAL A 55 3.184 -2.959 4.556 1.00 0.00 N ATOM 852 CA VAL A 55 4.359 -3.777 4.795 1.00 0.00 C ATOM 853 C VAL A 55 4.391 -4.344 6.222 1.00 0.00 C ATOM 854 O VAL A 55 5.295 -5.094 6.587 1.00 0.00 O ATOM 855 CB VAL A 55 5.621 -2.976 4.477 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.975 -2.037 5.630 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.782 -3.939 4.241 1.00 0.00 C ATOM 0 H VAL A 55 3.376 -1.958 4.520 1.00 0.00 H new ATOM 0 HA VAL A 55 4.314 -4.638 4.128 1.00 0.00 H new ATOM 0 HB VAL A 55 5.437 -2.378 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.877 -1.478 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.152 -1.342 5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.149 -2.620 6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.685 -3.372 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.946 -4.538 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.546 -4.596 3.404 1.00 0.00 H new ATOM 867 N SER A 56 3.415 -4.006 7.063 1.00 0.00 N ATOM 868 CA SER A 56 3.423 -4.490 8.429 1.00 0.00 C ATOM 869 C SER A 56 2.892 -5.918 8.546 1.00 0.00 C ATOM 870 O SER A 56 1.860 -6.140 9.183 1.00 0.00 O ATOM 871 CB SER A 56 2.632 -3.521 9.303 1.00 0.00 C ATOM 872 OG SER A 56 3.114 -2.202 9.112 1.00 0.00 O ATOM 0 H SER A 56 2.624 -3.409 6.822 1.00 0.00 H new ATOM 0 HA SER A 56 4.455 -4.531 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.573 -3.571 9.051 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.724 -3.804 10.352 1.00 0.00 H new ATOM 0 HG SER A 56 2.750 -1.838 8.278 1.00 0.00 H new ATOM 878 N THR A 57 3.609 -6.876 7.957 1.00 0.00 N ATOM 879 CA THR A 57 3.282 -8.290 7.999 1.00 0.00 C ATOM 880 C THR A 57 2.917 -8.764 9.404 1.00 0.00 C ATOM 881 O THR A 57 3.750 -8.766 10.306 1.00 0.00 O ATOM 882 CB THR A 57 4.465 -9.104 7.484 1.00 0.00 C ATOM 883 OG1 THR A 57 5.149 -8.399 6.470 1.00 0.00 O ATOM 884 CG2 THR A 57 3.922 -10.412 6.922 1.00 0.00 C ATOM 0 H THR A 57 4.456 -6.677 7.424 1.00 0.00 H new ATOM 0 HA THR A 57 2.409 -8.439 7.364 1.00 0.00 H new ATOM 0 HB THR A 57 5.167 -9.293 8.296 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.991 -8.857 6.264 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.747 -11.017 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.402 -10.958 7.709 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.228 -10.198 6.109 1.00 0.00 H new ATOM 892 N GLY A 58 1.664 -9.176 9.579 1.00 0.00 N ATOM 893 CA GLY A 58 1.164 -9.672 10.849 1.00 0.00 C ATOM 894 C GLY A 58 0.318 -8.643 11.588 1.00 0.00 C ATOM 895 O GLY A 58 -0.261 -8.962 12.622 1.00 0.00 O ATOM 0 H GLY A 58 0.966 -9.173 8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.569 -10.569 10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.005 -9.964 11.477 1.00 0.00 H new ATOM 899 N THR A 59 0.199 -7.421 11.072 1.00 0.00 N ATOM 900 CA THR A 59 -0.616 -6.443 11.765 1.00 0.00 C ATOM 901 C THR A 59 -2.044 -6.543 11.266 1.00 0.00 C ATOM 902 O THR A 59 -2.259 -6.622 10.059 1.00 0.00 O ATOM 903 CB THR A 59 -0.099 -5.023 11.512 1.00 0.00 C ATOM 904 OG1 THR A 59 1.310 -4.950 11.585 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.696 -4.064 12.542 1.00 0.00 C ATOM 0 H THR A 59 0.640 -7.099 10.210 1.00 0.00 H new ATOM 0 HA THR A 59 -0.570 -6.648 12.835 1.00 0.00 H new ATOM 0 HB THR A 59 -0.404 -4.743 10.504 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.702 -5.444 10.835 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.325 -3.056 12.358 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.783 -4.072 12.459 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.406 -4.380 13.544 1.00 0.00 H new ATOM 913 N GLU A 60 -3.031 -6.539 12.161 1.00 0.00 N ATOM 914 CA GLU A 60 -4.404 -6.542 11.700 1.00 0.00 C ATOM 915 C GLU A 60 -4.674 -5.173 11.092 1.00 0.00 C ATOM 916 O GLU A 60 -4.716 -4.168 11.792 1.00 0.00 O ATOM 917 CB GLU A 60 -5.384 -6.842 12.832 1.00 0.00 C ATOM 918 CG GLU A 60 -4.921 -8.008 13.705 1.00 0.00 C ATOM 919 CD GLU A 60 -4.976 -9.327 12.954 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.945 -9.506 12.183 1.00 0.00 O ATOM 921 OE2 GLU A 60 -4.049 -10.135 13.168 1.00 0.00 O ATOM 0 H GLU A 60 -2.907 -6.534 13.173 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.548 -7.331 10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.504 -5.953 13.451 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.363 -7.072 12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.902 -7.825 14.046 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.549 -8.069 14.594 1.00 0.00 H new ATOM 928 N VAL A 61 -4.801 -5.118 9.777 1.00 0.00 N ATOM 929 CA VAL A 61 -5.049 -3.889 9.064 1.00 0.00 C ATOM 930 C VAL A 61 -6.375 -4.030 8.334 1.00 0.00 C ATOM 931 O VAL A 61 -6.716 -5.102 7.831 1.00 0.00 O ATOM 932 CB VAL A 61 -3.872 -3.596 8.131 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.596 -3.399 8.940 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.596 -4.783 7.223 1.00 0.00 C ATOM 0 H VAL A 61 -4.733 -5.937 9.173 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.127 -3.036 9.738 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.136 -2.707 7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.766 -3.191 8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.725 -2.561 9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.383 -4.304 9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.756 -4.553 6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.355 -5.656 7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.479 -4.993 6.619 1.00 0.00 H new ATOM 944 N THR A 62 -7.168 -2.967 8.342 1.00 0.00 N ATOM 945 CA THR A 62 -8.444 -2.995 7.668 1.00 0.00 C ATOM 946 C THR A 62 -8.210 -2.634 6.211 1.00 0.00 C ATOM 947 O THR A 62 -7.611 -1.601 5.910 1.00 0.00 O ATOM 948 CB THR A 62 -9.436 -2.054 8.349 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.475 -2.265 9.743 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.843 -2.340 7.838 1.00 0.00 C ATOM 0 H THR A 62 -6.947 -2.086 8.805 1.00 0.00 H new ATOM 0 HA THR A 62 -8.887 -3.990 7.721 1.00 0.00 H new ATOM 0 HB THR A 62 -9.114 -1.036 8.128 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.599 -2.579 10.051 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.550 -1.668 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.877 -2.184 6.760 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.109 -3.373 8.064 1.00 0.00 H new ATOM 958 N LEU A 63 -8.633 -3.517 5.313 1.00 0.00 N ATOM 959 CA LEU A 63 -8.506 -3.300 3.894 1.00 0.00 C ATOM 960 C LEU A 63 -9.692 -2.494 3.410 1.00 0.00 C ATOM 961 O LEU A 63 -10.827 -2.965 3.426 1.00 0.00 O ATOM 962 CB LEU A 63 -8.409 -4.636 3.169 1.00 0.00 C ATOM 963 CG LEU A 63 -7.080 -4.678 2.426 1.00 0.00 C ATOM 964 CD1 LEU A 63 -7.039 -3.532 1.417 1.00 0.00 C ATOM 965 CD2 LEU A 63 -5.951 -4.532 3.447 1.00 0.00 C ATOM 0 H LEU A 63 -9.074 -4.403 5.559 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.595 -2.741 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.474 -5.460 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.239 -4.751 2.471 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.964 -5.621 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.091 -3.554 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.860 -3.642 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.137 -2.582 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.990 -4.560 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.055 -3.582 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.002 -5.350 4.165 1.00 0.00 H new ATOM 977 N ILE A 64 -9.413 -1.258 3.027 1.00 0.00 N ATOM 978 CA ILE A 64 -10.394 -0.328 2.525 1.00 0.00 C ATOM 979 C ILE A 64 -10.340 -0.290 1.008 1.00 0.00 C ATOM 980 O ILE A 64 -9.320 -0.583 0.393 1.00 0.00 O ATOM 981 CB ILE A 64 -10.049 1.083 3.009 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.956 1.193 4.523 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.097 2.087 2.534 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.710 2.656 4.863 1.00 0.00 C ATOM 0 H ILE A 64 -8.470 -0.870 3.060 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.377 -0.643 2.875 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.070 1.304 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.876 0.841 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.147 0.570 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.833 3.083 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.133 2.087 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.074 1.808 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.638 2.771 5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.780 2.986 4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.536 3.261 4.488 1.00 0.00 H new ATOM 996 N ALA A 65 -11.435 0.142 0.408 1.00 0.00 N ATOM 997 CA ALA A 65 -11.489 0.487 -0.983 1.00 0.00 C ATOM 998 C ALA A 65 -12.511 1.567 -1.104 1.00 0.00 C ATOM 999 O ALA A 65 -13.598 1.503 -0.527 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.779 -0.723 -1.858 1.00 0.00 C ATOM 0 H ALA A 65 -12.324 0.262 0.893 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.525 0.846 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.811 -0.417 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.994 -1.467 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.740 -1.154 -1.576 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.072 2.610 -1.790 1.00 0.00 N ATOM 1007 CA GLN A 66 -12.876 3.777 -1.878 1.00 0.00 C ATOM 1008 C GLN A 66 -12.964 4.238 -3.322 1.00 0.00 C ATOM 1009 O GLN A 66 -12.435 5.269 -3.740 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.314 4.712 -0.811 1.00 0.00 C ATOM 1011 CG GLN A 66 -11.409 5.855 -1.260 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.070 7.211 -1.066 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.393 7.891 -2.036 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.284 7.631 0.175 1.00 0.00 N ATOM 0 H GLN A 66 -11.178 2.656 -2.279 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.935 3.663 -1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -13.156 5.146 -0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.756 4.106 -0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.476 5.822 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.152 5.723 -2.311 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.007 7.049 0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.725 8.536 0.338 1.00 0.00 H new ATOM 1023 N GLY A 67 -13.596 3.400 -4.132 1.00 0.00 N ATOM 1024 CA GLY A 67 -13.817 3.655 -5.537 1.00 0.00 C ATOM 1025 C GLY A 67 -15.151 3.064 -5.953 1.00 0.00 C ATOM 1026 O GLY A 67 -16.101 3.055 -5.174 1.00 0.00 O ATOM 0 H GLY A 67 -13.975 2.507 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.806 4.728 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.013 3.217 -6.128 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.232 2.584 -7.191 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.442 1.960 -7.683 1.00 0.00 C ATOM 1032 C GLU A 68 -16.636 0.589 -7.041 1.00 0.00 C ATOM 1033 O GLU A 68 -17.766 0.153 -6.845 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.396 1.857 -9.208 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.019 3.198 -9.842 1.00 0.00 C ATOM 1036 CD GLU A 68 -16.912 4.331 -9.359 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.136 4.233 -9.592 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -16.347 5.272 -8.758 1.00 0.00 O ATOM 0 H GLU A 68 -14.469 2.619 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.297 2.578 -7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.673 1.097 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.367 1.535 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.980 3.430 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.090 3.118 -10.927 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.548 -0.111 -6.705 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.671 -1.423 -6.113 1.00 0.00 C ATOM 1047 C ASP A 69 -15.219 -1.258 -4.687 1.00 0.00 C ATOM 1048 O ASP A 69 -14.221 -1.857 -4.324 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.794 -2.444 -6.841 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.991 -2.413 -8.349 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -14.266 -1.620 -8.992 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -15.853 -3.180 -8.825 1.00 0.00 O ATOM 0 H ASP A 69 -14.590 0.213 -6.835 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.693 -1.797 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.747 -2.248 -6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.020 -3.443 -6.469 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.847 -0.372 -3.916 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.495 -0.120 -2.539 1.00 0.00 C ATOM 1059 C GLU A 70 -15.463 -1.442 -1.784 1.00 0.00 C ATOM 1060 O GLU A 70 -14.399 -2.032 -1.603 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.569 0.818 -2.006 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.503 0.991 -0.495 1.00 0.00 C ATOM 1063 CD GLU A 70 -17.895 1.215 0.061 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.549 0.180 0.327 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.290 2.393 0.183 1.00 0.00 O ATOM 0 H GLU A 70 -16.627 0.196 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.510 0.333 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.464 1.792 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.551 0.432 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.058 0.107 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.862 1.836 -0.245 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.648 -1.910 -1.380 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.823 -3.156 -0.660 1.00 0.00 C ATOM 1074 C GLN A 71 -16.089 -4.305 -1.328 1.00 0.00 C ATOM 1075 O GLN A 71 -15.382 -5.055 -0.664 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.311 -3.479 -0.577 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.880 -2.896 0.714 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.200 -3.490 1.942 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.206 -2.888 3.010 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.591 -4.666 1.814 1.00 0.00 N ATOM 0 H GLN A 71 -17.524 -1.417 -1.552 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.403 -3.033 0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.834 -3.064 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.463 -4.558 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.751 -1.814 0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -19.952 -3.090 0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.599 -5.149 0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.116 -5.084 2.614 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.254 -4.428 -2.641 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.673 -5.512 -3.393 1.00 0.00 C ATOM 1091 C GLU A 72 -14.159 -5.536 -3.195 1.00 0.00 C ATOM 1092 O GLU A 72 -13.587 -6.539 -2.767 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.059 -5.281 -4.857 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.173 -6.025 -5.851 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.373 -7.531 -5.778 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.493 -7.969 -6.118 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.403 -8.212 -5.378 1.00 0.00 O ATOM 0 H GLU A 72 -16.796 -3.774 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.041 -6.482 -3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.094 -5.591 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.013 -4.213 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.392 -5.679 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.128 -5.788 -5.653 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.527 -4.406 -3.508 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.098 -4.224 -3.449 1.00 0.00 C ATOM 1106 C ALA A 73 -11.579 -4.481 -2.049 1.00 0.00 C ATOM 1107 O ALA A 73 -10.666 -5.281 -1.859 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.852 -2.781 -3.843 1.00 0.00 C ATOM 0 H ALA A 73 -14.023 -3.570 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.582 -4.920 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.782 -2.575 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.232 -2.609 -4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.365 -2.120 -3.144 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.171 -3.791 -1.076 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.781 -3.904 0.313 1.00 0.00 C ATOM 1116 C LEU A 74 -11.867 -5.355 0.793 1.00 0.00 C ATOM 1117 O LEU A 74 -10.918 -5.857 1.394 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.604 -2.896 1.118 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.104 -3.149 1.025 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.584 -4.058 2.143 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.845 -1.822 1.099 1.00 0.00 C ATOM 0 H LEU A 74 -12.937 -3.137 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.732 -3.648 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.298 -2.936 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.387 -1.889 0.761 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.308 -3.643 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.658 -4.218 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.068 -5.016 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.371 -3.594 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.918 -2.000 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.617 -1.330 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.532 -1.184 0.273 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.967 -6.046 0.472 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.164 -7.442 0.833 1.00 0.00 C ATOM 1135 C GLU A 75 -12.071 -8.329 0.245 1.00 0.00 C ATOM 1136 O GLU A 75 -11.335 -8.982 0.986 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.518 -7.926 0.315 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.676 -7.231 1.025 1.00 0.00 C ATOM 1139 CD GLU A 75 -17.002 -7.625 0.390 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -17.274 -8.844 0.356 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -17.720 -6.698 -0.048 1.00 0.00 O ATOM 0 H GLU A 75 -13.746 -5.644 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.126 -7.510 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.585 -7.741 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.598 -9.004 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.677 -7.500 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.547 -6.150 0.972 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.973 -8.371 -1.087 1.00 0.00 N ATOM 1149 CA LYS A 76 -11.001 -9.258 -1.715 1.00 0.00 C ATOM 1150 C LYS A 76 -9.570 -8.909 -1.311 1.00 0.00 C ATOM 1151 O LYS A 76 -8.750 -9.802 -1.107 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.210 -9.362 -3.227 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.583 -8.058 -3.931 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.392 -7.125 -4.153 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.538 -7.599 -5.328 1.00 0.00 C ATOM 1156 NZ LYS A 76 -8.888 -8.888 -5.040 1.00 0.00 N ATOM 0 H LYS A 76 -12.538 -7.818 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.176 -10.263 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.296 -9.749 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.994 -10.095 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.037 -8.291 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.337 -7.538 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.749 -6.113 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.784 -7.084 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.162 -7.696 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.779 -6.850 -5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.098 -9.034 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.528 -8.885 -4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.579 -9.658 -5.151 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.274 -7.621 -1.156 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.978 -7.178 -0.691 1.00 0.00 C ATOM 1172 C LEU A 77 -7.685 -7.704 0.710 1.00 0.00 C ATOM 1173 O LEU A 77 -6.640 -8.319 0.903 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.936 -5.661 -0.738 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.395 -5.177 -2.080 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.913 -5.046 -1.841 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -7.526 -6.178 -3.224 1.00 0.00 C ATOM 0 H LEU A 77 -9.929 -6.863 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.201 -7.578 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.937 -5.260 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.308 -5.285 0.070 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.944 -4.281 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.426 -4.701 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.736 -4.327 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.503 -6.015 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.115 -5.745 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.979 -7.088 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.578 -6.418 -3.379 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.578 -7.488 1.685 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.368 -8.012 3.031 1.00 0.00 C ATOM 1191 C ALA A 78 -8.253 -9.535 2.999 1.00 0.00 C ATOM 1192 O ALA A 78 -7.510 -10.128 3.778 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.481 -7.555 3.971 1.00 0.00 C ATOM 0 H ALA A 78 -9.442 -6.959 1.564 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.429 -7.614 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.303 -7.958 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.495 -6.466 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.441 -7.915 3.600 1.00 0.00 H new ATOM 1199 N ALA A 79 -8.988 -10.196 2.105 1.00 0.00 N ATOM 1200 CA ALA A 79 -8.832 -11.626 1.904 1.00 0.00 C ATOM 1201 C ALA A 79 -7.373 -11.919 1.561 1.00 0.00 C ATOM 1202 O ALA A 79 -6.667 -12.649 2.260 1.00 0.00 O ATOM 1203 CB ALA A 79 -9.709 -12.044 0.727 1.00 0.00 C ATOM 0 H ALA A 79 -9.694 -9.760 1.512 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.119 -12.170 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.606 -13.116 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.750 -11.810 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.398 -11.505 -0.168 1.00 0.00 H new ATOM 1209 N TYR A 80 -6.923 -11.275 0.485 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.600 -11.435 -0.074 1.00 0.00 C ATOM 1211 C TYR A 80 -4.495 -11.193 0.948 1.00 0.00 C ATOM 1212 O TYR A 80 -3.567 -11.989 1.053 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.495 -10.476 -1.251 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.266 -10.716 -2.086 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.111 -11.936 -2.763 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.189 -9.817 -2.003 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.872 -12.267 -3.345 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -1.956 -10.148 -2.583 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.791 -11.380 -3.236 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.571 -11.724 -3.733 1.00 0.00 O ATOM 0 H TYR A 80 -7.496 -10.608 -0.032 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.461 -12.466 -0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.381 -10.578 -1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.483 -9.451 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.942 -12.621 -2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.311 -8.873 -1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.755 -13.201 -3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.131 -9.453 -2.527 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.516 -12.699 -3.820 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.589 -10.101 1.706 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.579 -9.731 2.687 1.00 0.00 C ATOM 1232 C VAL A 81 -3.416 -10.755 3.796 1.00 0.00 C ATOM 1233 O VAL A 81 -2.322 -10.916 4.322 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.956 -8.413 3.361 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.315 -7.382 2.312 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.161 -8.613 4.275 1.00 0.00 C ATOM 0 H VAL A 81 -5.371 -9.449 1.654 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.645 -9.657 2.129 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.103 -8.071 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.583 -6.445 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.461 -7.218 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.161 -7.740 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.419 -7.666 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.008 -8.968 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.918 -9.348 5.042 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.502 -11.406 4.194 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.486 -12.225 5.385 1.00 0.00 C ATOM 1248 C GLN A 82 -4.387 -13.727 5.105 1.00 0.00 C ATOM 1249 O GLN A 82 -3.944 -14.488 5.959 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.807 -11.934 6.103 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.859 -12.712 5.325 1.00 0.00 C ATOM 1252 CD GLN A 82 -8.261 -12.683 5.882 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -9.136 -12.042 5.126 1.00 0.00 O flip ATOM 1254 NE2 GLN A 82 -8.551 -13.226 6.942 1.00 0.00 N flip ATOM 0 H GLN A 82 -5.398 -11.379 3.707 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.602 -11.980 5.973 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.769 -12.255 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.028 -10.867 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.888 -12.324 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.538 -13.752 5.261 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.832 -13.706 7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.512 -13.198 7.283 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.865 -14.137 3.929 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.157 -15.518 3.594 1.00 0.00 C ATOM 1265 C GLU A 83 -4.042 -16.543 3.809 1.00 0.00 C ATOM 1266 O GLU A 83 -4.229 -17.501 4.553 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.719 -15.539 2.175 1.00 0.00 C ATOM 1268 CG GLU A 83 -7.113 -16.170 2.181 1.00 0.00 C ATOM 1269 CD GLU A 83 -8.096 -15.340 2.997 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -7.993 -15.397 4.241 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -8.935 -14.669 2.358 1.00 0.00 O ATOM 0 H GLU A 83 -5.063 -13.491 3.165 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.890 -15.867 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.770 -14.525 1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.056 -16.104 1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.476 -16.264 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.056 -17.178 2.593 1.00 0.00 H new ATOM 1278 N GLU A 84 -2.913 -16.390 3.120 1.00 0.00 N ATOM 1279 CA GLU A 84 -1.841 -17.368 3.223 1.00 0.00 C ATOM 1280 C GLU A 84 -0.731 -16.858 4.143 1.00 0.00 C ATOM 1281 O GLU A 84 -0.962 -16.587 5.317 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.354 -17.705 1.808 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.040 -16.436 1.008 1.00 0.00 C ATOM 1284 CD GLU A 84 -0.238 -16.756 -0.245 1.00 0.00 C ATOM 1285 OE1 GLU A 84 0.548 -17.726 -0.180 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -0.430 -16.023 -1.238 1.00 0.00 O ATOM 0 H GLU A 84 -2.721 -15.608 2.494 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.200 -18.289 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.463 -18.329 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.116 -18.286 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.970 -15.939 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.481 -15.739 1.632 1.00 0.00 H new ATOM 1293 N VAL A 85 0.475 -16.718 3.594 1.00 0.00 N ATOM 1294 CA VAL A 85 1.636 -16.099 4.214 1.00 0.00 C ATOM 1295 C VAL A 85 2.279 -15.370 3.044 1.00 0.00 C ATOM 1296 O VAL A 85 2.270 -15.930 1.904 1.00 0.00 O ATOM 1297 CB VAL A 85 2.633 -17.160 4.831 1.00 0.00 C ATOM 1298 CG1 VAL A 85 1.993 -18.296 5.678 1.00 0.00 C ATOM 1299 CG2 VAL A 85 3.513 -17.879 3.781 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.812 -14.228 3.203 1.00 0.00 O ATOM 0 H VAL A 85 0.675 -17.054 2.652 1.00 0.00 H new ATOM 0 HA VAL A 85 1.370 -15.456 5.053 1.00 0.00 H new ATOM 0 HB VAL A 85 3.220 -16.510 5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.775 -18.960 6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.457 -17.863 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.297 -18.863 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.169 -18.590 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.875 -18.409 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.115 -17.144 3.246 1.00 0.00 H new