USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 17 SER OG : rot 86:sc= 1.47 USER MOD Set 1.2: A 48 THR OG1 : rot -36:sc= 0.188 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.0771 (180deg=-0.136) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 6 THR OG1 : rot -71:sc= 1.23 USER MOD Single : A 7 THR OG1 : rot -164:sc= 1.24 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.269 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0903 USER MOD Single : A 40 TYR OH : rot -158:sc= -0.735 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -148:sc= 0 (180deg=-1.27) USER MOD Single : A 54 SER OG : rot 32:sc= -1.4! USER MOD Single : A 56 TYR OH : rot 30:sc= 0.24 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 79 ASN : amide:sc= -1.28! C(o=-1.3!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.597 9.487 -0.019 1.00 5.55 N ATOM 2 CA MET A 1 -15.548 10.493 -0.241 1.00 4.81 C ATOM 3 C MET A 1 -14.152 9.911 -0.063 1.00 4.08 C ATOM 4 O MET A 1 -13.191 10.643 0.224 1.00 4.33 O ATOM 5 CB MET A 1 -15.747 11.719 0.660 1.00 5.00 C ATOM 6 CG MET A 1 -16.894 12.607 0.235 1.00 5.78 C ATOM 7 SD MET A 1 -16.656 13.267 -1.428 1.00 6.34 S ATOM 8 CE MET A 1 -18.197 14.146 -1.662 1.00 6.63 C ATOM 0 H1 MET A 1 -17.526 9.953 0.001 1.00 5.55 H new ATOM 0 H2 MET A 1 -16.577 8.788 -0.789 1.00 5.55 H new ATOM 0 H3 MET A 1 -16.431 9.007 0.888 1.00 5.55 H new ATOM 0 HA MET A 1 -15.637 10.817 -1.278 1.00 4.81 H new ATOM 0 HB2 MET A 1 -15.919 11.383 1.683 1.00 5.00 H new ATOM 0 HB3 MET A 1 -14.829 12.306 0.668 1.00 5.00 H new ATOM 0 HG2 MET A 1 -17.824 12.040 0.271 1.00 5.78 H new ATOM 0 HG3 MET A 1 -16.996 13.431 0.941 1.00 5.78 H new ATOM 0 HE1 MET A 1 -18.204 14.611 -2.648 1.00 6.63 H new ATOM 0 HE2 MET A 1 -19.030 13.447 -1.584 1.00 6.63 H new ATOM 0 HE3 MET A 1 -18.297 14.916 -0.897 1.00 6.63 H new ATOM 20 N ALA A 2 -14.017 8.615 -0.255 1.00 3.63 N ATOM 21 CA ALA A 2 -12.731 7.978 -0.168 1.00 3.34 C ATOM 22 C ALA A 2 -12.094 8.001 -1.540 1.00 2.29 C ATOM 23 O ALA A 2 -12.581 7.351 -2.470 1.00 2.60 O ATOM 24 CB ALA A 2 -12.877 6.549 0.335 1.00 4.09 C ATOM 0 H ALA A 2 -14.789 7.985 -0.473 1.00 3.63 H new ATOM 0 HA ALA A 2 -12.098 8.512 0.540 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -11.894 6.082 0.395 1.00 4.09 H new ATOM 0 HB2 ALA A 2 -13.336 6.556 1.324 1.00 4.09 H new ATOM 0 HB3 ALA A 2 -13.506 5.984 -0.353 1.00 4.09 H new ATOM 30 N THR A 3 -11.058 8.776 -1.686 1.00 1.66 N ATOM 31 CA THR A 3 -10.383 8.909 -2.949 1.00 1.24 C ATOM 32 C THR A 3 -9.447 7.725 -3.175 1.00 1.06 C ATOM 33 O THR A 3 -8.573 7.433 -2.344 1.00 1.81 O ATOM 34 CB THR A 3 -9.611 10.242 -2.987 1.00 2.06 C ATOM 35 OG1 THR A 3 -8.786 10.366 -1.817 1.00 2.62 O ATOM 36 CG2 THR A 3 -10.580 11.409 -3.045 1.00 2.77 C ATOM 0 H THR A 3 -10.656 9.335 -0.933 1.00 1.66 H new ATOM 0 HA THR A 3 -11.119 8.913 -3.753 1.00 1.24 H new ATOM 0 HB THR A 3 -8.982 10.253 -3.877 1.00 2.06 H new ATOM 0 HG1 THR A 3 -8.298 11.215 -1.850 1.00 2.62 H new ATOM 0 HG21 THR A 3 -10.022 12.345 -3.071 1.00 2.77 H new ATOM 0 HG22 THR A 3 -11.194 11.328 -3.942 1.00 2.77 H new ATOM 0 HG23 THR A 3 -11.221 11.394 -2.164 1.00 2.77 H new ATOM 44 N LEU A 4 -9.664 7.015 -4.259 1.00 0.89 N ATOM 45 CA LEU A 4 -8.861 5.861 -4.571 1.00 0.69 C ATOM 46 C LEU A 4 -7.410 6.224 -4.828 1.00 0.63 C ATOM 47 O LEU A 4 -7.065 7.384 -5.112 1.00 0.87 O ATOM 48 CB LEU A 4 -9.479 4.970 -5.661 1.00 0.83 C ATOM 49 CG LEU A 4 -10.558 3.957 -5.182 1.00 1.14 C ATOM 50 CD1 LEU A 4 -11.654 4.628 -4.404 1.00 1.27 C ATOM 51 CD2 LEU A 4 -11.157 3.194 -6.346 1.00 1.51 C ATOM 0 H LEU A 4 -10.394 7.220 -4.941 1.00 0.89 H new ATOM 0 HA LEU A 4 -8.856 5.238 -3.677 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -9.925 5.614 -6.419 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.677 4.414 -6.146 1.00 0.83 H new ATOM 0 HG LEU A 4 -10.048 3.255 -4.522 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -12.385 3.883 -4.089 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -11.231 5.115 -3.525 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -12.142 5.373 -5.032 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -11.907 2.495 -5.976 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -11.624 3.894 -7.038 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -10.371 2.643 -6.863 1.00 1.51 H new ATOM 63 N LEU A 5 -6.576 5.251 -4.722 1.00 0.49 N ATOM 64 CA LEU A 5 -5.164 5.476 -4.677 1.00 0.44 C ATOM 65 C LEU A 5 -4.524 5.324 -6.013 1.00 0.39 C ATOM 66 O LEU A 5 -4.917 4.462 -6.808 1.00 0.42 O ATOM 67 CB LEU A 5 -4.537 4.453 -3.757 1.00 0.47 C ATOM 68 CG LEU A 5 -5.170 4.291 -2.394 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.491 3.172 -1.667 1.00 0.80 C ATOM 70 CD2 LEU A 5 -5.095 5.580 -1.586 1.00 0.79 C ATOM 0 H LEU A 5 -6.849 4.270 -4.663 1.00 0.49 H new ATOM 0 HA LEU A 5 -5.008 6.497 -4.328 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -4.557 3.486 -4.259 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.489 4.718 -3.617 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.226 4.055 -2.525 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -4.943 3.050 -0.683 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -4.603 2.248 -2.235 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.432 3.402 -1.553 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.560 5.426 -0.612 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -4.051 5.864 -1.450 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -5.620 6.374 -2.117 1.00 0.79 H new ATOM 82 N THR A 6 -3.562 6.157 -6.261 1.00 0.38 N ATOM 83 CA THR A 6 -2.688 6.005 -7.377 1.00 0.40 C ATOM 84 C THR A 6 -1.387 5.425 -6.831 1.00 0.34 C ATOM 85 O THR A 6 -1.291 5.174 -5.606 1.00 0.30 O ATOM 86 CB THR A 6 -2.398 7.356 -8.087 1.00 0.51 C ATOM 87 OG1 THR A 6 -1.811 8.301 -7.156 1.00 0.56 O ATOM 88 CG2 THR A 6 -3.665 7.949 -8.670 1.00 0.63 C ATOM 0 H THR A 6 -3.361 6.973 -5.684 1.00 0.38 H new ATOM 0 HA THR A 6 -3.152 5.357 -8.121 1.00 0.40 H new ATOM 0 HB THR A 6 -1.696 7.160 -8.898 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.491 8.592 -6.513 1.00 0.56 H new ATOM 0 HG21 THR A 6 -3.432 8.894 -9.161 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.089 7.257 -9.398 1.00 0.63 H new ATOM 0 HG23 THR A 6 -4.386 8.123 -7.871 1.00 0.63 H new ATOM 96 N THR A 7 -0.397 5.226 -7.675 1.00 0.37 N ATOM 97 CA THR A 7 0.900 4.761 -7.227 1.00 0.37 C ATOM 98 C THR A 7 1.506 5.767 -6.218 1.00 0.35 C ATOM 99 O THR A 7 2.178 5.384 -5.254 1.00 0.34 O ATOM 100 CB THR A 7 1.860 4.550 -8.414 1.00 0.48 C ATOM 101 OG1 THR A 7 1.179 3.805 -9.450 1.00 0.61 O ATOM 102 CG2 THR A 7 3.070 3.753 -7.961 1.00 0.56 C ATOM 0 H THR A 7 -0.466 5.380 -8.681 1.00 0.37 H new ATOM 0 HA THR A 7 0.763 3.799 -6.733 1.00 0.37 H new ATOM 0 HB THR A 7 2.179 5.521 -8.793 1.00 0.48 H new ATOM 0 HG1 THR A 7 1.837 3.447 -10.082 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.746 3.607 -8.804 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.588 4.296 -7.171 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.746 2.783 -7.583 1.00 0.56 H new ATOM 110 N ASP A 8 1.198 7.054 -6.427 1.00 0.43 N ATOM 111 CA ASP A 8 1.718 8.128 -5.576 1.00 0.50 C ATOM 112 C ASP A 8 1.124 8.025 -4.192 1.00 0.44 C ATOM 113 O ASP A 8 1.831 8.128 -3.192 1.00 0.46 O ATOM 114 CB ASP A 8 1.388 9.504 -6.156 1.00 0.67 C ATOM 115 CG ASP A 8 2.079 10.633 -5.409 1.00 1.08 C ATOM 116 OD1 ASP A 8 1.556 11.118 -4.382 1.00 1.65 O ATOM 117 OD2 ASP A 8 3.163 11.062 -5.855 1.00 1.26 O ATOM 0 H ASP A 8 0.590 7.375 -7.180 1.00 0.43 H new ATOM 0 HA ASP A 8 2.801 8.017 -5.528 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.683 9.533 -7.205 1.00 0.67 H new ATOM 0 HB3 ASP A 8 0.309 9.659 -6.124 1.00 0.67 H new ATOM 122 N ASP A 9 -0.178 7.757 -4.145 1.00 0.42 N ATOM 123 CA ASP A 9 -0.913 7.635 -2.878 1.00 0.42 C ATOM 124 C ASP A 9 -0.380 6.460 -2.099 1.00 0.40 C ATOM 125 O ASP A 9 -0.237 6.514 -0.874 1.00 0.45 O ATOM 126 CB ASP A 9 -2.411 7.402 -3.109 1.00 0.46 C ATOM 127 CG ASP A 9 -3.149 8.534 -3.763 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.161 8.622 -5.001 1.00 1.41 O ATOM 129 OD2 ASP A 9 -3.662 9.403 -3.040 1.00 0.86 O ATOM 0 H ASP A 9 -0.755 7.618 -4.975 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.777 8.569 -2.332 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.531 6.510 -3.724 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -2.881 7.193 -2.148 1.00 0.46 H new ATOM 134 N LEU A 10 -0.061 5.405 -2.823 1.00 0.37 N ATOM 135 CA LEU A 10 0.481 4.209 -2.236 1.00 0.36 C ATOM 136 C LEU A 10 1.868 4.497 -1.657 1.00 0.36 C ATOM 137 O LEU A 10 2.156 4.125 -0.520 1.00 0.41 O ATOM 138 CB LEU A 10 0.534 3.088 -3.283 1.00 0.35 C ATOM 139 CG LEU A 10 0.990 1.718 -2.789 1.00 0.37 C ATOM 140 CD1 LEU A 10 0.077 1.225 -1.679 1.00 0.48 C ATOM 141 CD2 LEU A 10 1.004 0.726 -3.938 1.00 0.37 C ATOM 0 H LEU A 10 -0.173 5.359 -3.836 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.164 3.878 -1.422 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.459 2.981 -3.719 1.00 0.35 H new ATOM 0 HB3 LEU A 10 1.202 3.401 -4.085 1.00 0.35 H new ATOM 0 HG LEU A 10 2.001 1.809 -2.392 1.00 0.37 H new ATOM 0 HD11 LEU A 10 0.415 0.247 -1.337 1.00 0.48 H new ATOM 0 HD12 LEU A 10 0.103 1.929 -0.847 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -0.943 1.145 -2.055 1.00 0.48 H new ATOM 0 HD21 LEU A 10 1.331 -0.248 -3.574 1.00 0.37 H new ATOM 0 HD22 LEU A 10 0.001 0.639 -4.356 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.690 1.074 -4.710 1.00 0.37 H new ATOM 153 N ARG A 11 2.701 5.199 -2.434 1.00 0.36 N ATOM 154 CA ARG A 11 4.046 5.610 -1.994 1.00 0.38 C ATOM 155 C ARG A 11 3.985 6.339 -0.651 1.00 0.39 C ATOM 156 O ARG A 11 4.745 6.020 0.272 1.00 0.41 O ATOM 157 CB ARG A 11 4.735 6.499 -3.057 1.00 0.42 C ATOM 158 CG ARG A 11 6.096 7.041 -2.619 1.00 0.52 C ATOM 159 CD ARG A 11 6.794 7.840 -3.714 1.00 0.71 C ATOM 160 NE ARG A 11 6.009 8.992 -4.198 1.00 1.21 N ATOM 161 CZ ARG A 11 6.544 10.145 -4.659 1.00 1.60 C ATOM 162 NH1 ARG A 11 7.842 10.400 -4.480 1.00 1.92 N ATOM 163 NH2 ARG A 11 5.768 11.058 -5.243 1.00 2.46 N ATOM 0 H ARG A 11 2.467 5.498 -3.381 1.00 0.36 H new ATOM 0 HA ARG A 11 4.641 4.705 -1.868 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.862 5.922 -3.973 1.00 0.42 H new ATOM 0 HB3 ARG A 11 4.080 7.337 -3.296 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.965 7.674 -1.741 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.734 6.209 -2.320 1.00 0.52 H new ATOM 0 HD2 ARG A 11 7.752 8.197 -3.337 1.00 0.71 H new ATOM 0 HD3 ARG A 11 7.008 7.179 -4.554 1.00 0.71 H new ATOM 0 HE ARG A 11 4.992 8.913 -4.184 1.00 1.21 H new ATOM 0 HH11 ARG A 11 8.432 9.724 -3.995 1.00 1.92 H new ATOM 0 HH12 ARG A 11 8.244 11.270 -4.829 1.00 1.92 H new ATOM 0 HH21 ARG A 11 4.767 10.888 -5.343 1.00 2.46 H new ATOM 0 HH22 ARG A 11 6.175 11.927 -5.590 1.00 2.46 H new ATOM 177 N ARG A 12 3.038 7.277 -0.547 1.00 0.42 N ATOM 178 CA ARG A 12 2.836 8.086 0.664 1.00 0.47 C ATOM 179 C ARG A 12 2.645 7.187 1.867 1.00 0.43 C ATOM 180 O ARG A 12 3.337 7.328 2.874 1.00 0.48 O ATOM 181 CB ARG A 12 1.590 8.965 0.541 1.00 0.60 C ATOM 182 CG ARG A 12 1.559 9.852 -0.669 1.00 1.18 C ATOM 183 CD ARG A 12 0.254 10.600 -0.758 1.00 1.47 C ATOM 184 NE ARG A 12 0.083 11.216 -2.069 1.00 2.25 N ATOM 185 CZ ARG A 12 -0.995 11.876 -2.468 1.00 2.83 C ATOM 186 NH1 ARG A 12 -1.944 12.210 -1.603 1.00 2.60 N ATOM 187 NH2 ARG A 12 -1.088 12.245 -3.733 1.00 3.93 N ATOM 0 H ARG A 12 2.387 7.499 -1.301 1.00 0.42 H new ATOM 0 HA ARG A 12 3.720 8.713 0.784 1.00 0.47 H new ATOM 0 HB2 ARG A 12 0.710 8.322 0.525 1.00 0.60 H new ATOM 0 HB3 ARG A 12 1.513 9.588 1.432 1.00 0.60 H new ATOM 0 HG2 ARG A 12 2.386 10.561 -0.626 1.00 1.18 H new ATOM 0 HG3 ARG A 12 1.700 9.252 -1.568 1.00 1.18 H new ATOM 0 HD2 ARG A 12 -0.573 9.917 -0.565 1.00 1.47 H new ATOM 0 HD3 ARG A 12 0.220 11.368 0.014 1.00 1.47 H new ATOM 0 HE ARG A 12 0.854 11.132 -2.731 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -1.849 11.959 -0.619 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -2.769 12.718 -1.922 1.00 2.60 H new ATOM 0 HH21 ARG A 12 -0.337 12.021 -4.386 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -1.911 12.754 -4.057 1.00 3.93 H new ATOM 201 N ALA A 13 1.747 6.230 1.722 1.00 0.40 N ATOM 202 CA ALA A 13 1.371 5.331 2.796 1.00 0.42 C ATOM 203 C ALA A 13 2.558 4.491 3.278 1.00 0.41 C ATOM 204 O ALA A 13 2.711 4.250 4.488 1.00 0.50 O ATOM 205 CB ALA A 13 0.224 4.457 2.347 1.00 0.45 C ATOM 0 H ALA A 13 1.254 6.054 0.847 1.00 0.40 H new ATOM 0 HA ALA A 13 1.047 5.929 3.648 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.057 3.782 3.155 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.629 5.083 2.083 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.529 3.875 1.478 1.00 0.45 H new ATOM 211 N LEU A 14 3.400 4.066 2.355 1.00 0.38 N ATOM 212 CA LEU A 14 4.603 3.325 2.715 1.00 0.46 C ATOM 213 C LEU A 14 5.567 4.211 3.498 1.00 0.54 C ATOM 214 O LEU A 14 6.057 3.818 4.555 1.00 0.69 O ATOM 215 CB LEU A 14 5.299 2.680 1.501 1.00 0.48 C ATOM 216 CG LEU A 14 4.750 1.320 1.018 1.00 0.54 C ATOM 217 CD1 LEU A 14 3.350 1.418 0.454 1.00 1.21 C ATOM 218 CD2 LEU A 14 5.694 0.687 0.018 1.00 1.44 C ATOM 0 H LEU A 14 3.278 4.218 1.354 1.00 0.38 H new ATOM 0 HA LEU A 14 4.286 2.502 3.355 1.00 0.46 H new ATOM 0 HB2 LEU A 14 5.246 3.381 0.668 1.00 0.48 H new ATOM 0 HB3 LEU A 14 6.354 2.552 1.744 1.00 0.48 H new ATOM 0 HG LEU A 14 4.685 0.677 1.896 1.00 0.54 H new ATOM 0 HD11 LEU A 14 3.018 0.431 0.131 1.00 1.21 H new ATOM 0 HD12 LEU A 14 2.674 1.795 1.221 1.00 1.21 H new ATOM 0 HD13 LEU A 14 3.348 2.098 -0.398 1.00 1.21 H new ATOM 0 HD21 LEU A 14 5.289 -0.270 -0.310 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.808 1.346 -0.842 1.00 1.44 H new ATOM 0 HD23 LEU A 14 6.666 0.529 0.485 1.00 1.44 H new ATOM 230 N VAL A 15 5.771 5.433 3.008 1.00 0.53 N ATOM 231 CA VAL A 15 6.637 6.424 3.672 1.00 0.63 C ATOM 232 C VAL A 15 6.146 6.674 5.115 1.00 0.66 C ATOM 233 O VAL A 15 6.949 6.768 6.061 1.00 0.80 O ATOM 234 CB VAL A 15 6.664 7.764 2.867 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.445 8.845 3.596 1.00 0.76 C ATOM 236 CG2 VAL A 15 7.267 7.540 1.489 1.00 0.71 C ATOM 0 H VAL A 15 5.346 5.769 2.144 1.00 0.53 H new ATOM 0 HA VAL A 15 7.652 6.028 3.708 1.00 0.63 H new ATOM 0 HB VAL A 15 5.633 8.102 2.765 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.440 9.760 3.003 1.00 0.76 H new ATOM 0 HG12 VAL A 15 6.983 9.037 4.564 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.473 8.514 3.744 1.00 0.76 H new ATOM 0 HG21 VAL A 15 7.279 8.481 0.940 1.00 0.71 H new ATOM 0 HG22 VAL A 15 8.286 7.168 1.594 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.668 6.810 0.944 1.00 0.71 H new ATOM 246 N GLU A 16 4.829 6.739 5.273 1.00 0.62 N ATOM 247 CA GLU A 16 4.196 6.917 6.572 1.00 0.71 C ATOM 248 C GLU A 16 4.540 5.772 7.521 1.00 0.74 C ATOM 249 O GLU A 16 4.823 5.981 8.704 1.00 0.89 O ATOM 250 CB GLU A 16 2.689 6.959 6.416 1.00 0.79 C ATOM 251 CG GLU A 16 2.185 8.129 5.616 1.00 0.87 C ATOM 252 CD GLU A 16 2.587 9.460 6.190 1.00 1.20 C ATOM 253 OE1 GLU A 16 2.256 9.739 7.356 1.00 1.38 O ATOM 254 OE2 GLU A 16 3.223 10.261 5.479 1.00 2.05 O ATOM 0 H GLU A 16 4.168 6.669 4.499 1.00 0.62 H new ATOM 0 HA GLU A 16 4.567 7.854 6.986 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.358 6.037 5.938 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.233 6.986 7.406 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.562 8.052 4.596 1.00 0.87 H new ATOM 0 HG3 GLU A 16 1.098 8.079 5.558 1.00 0.87 H new ATOM 261 N SER A 17 4.560 4.579 6.981 1.00 0.68 N ATOM 262 CA SER A 17 4.746 3.371 7.756 1.00 0.77 C ATOM 263 C SER A 17 6.222 3.108 8.071 1.00 0.89 C ATOM 264 O SER A 17 6.552 2.596 9.140 1.00 1.15 O ATOM 265 CB SER A 17 4.159 2.206 6.982 1.00 0.73 C ATOM 266 OG SER A 17 2.822 2.499 6.595 1.00 1.39 O ATOM 0 H SER A 17 4.447 4.414 5.981 1.00 0.68 H new ATOM 0 HA SER A 17 4.236 3.490 8.712 1.00 0.77 H new ATOM 0 HB2 SER A 17 4.765 2.004 6.099 1.00 0.73 H new ATOM 0 HB3 SER A 17 4.179 1.305 7.595 1.00 0.73 H new ATOM 0 HG SER A 17 2.827 2.996 5.750 1.00 1.39 H new ATOM 272 N ALA A 18 7.096 3.452 7.151 1.00 0.82 N ATOM 273 CA ALA A 18 8.518 3.218 7.332 1.00 1.03 C ATOM 274 C ALA A 18 9.138 4.243 8.267 1.00 1.22 C ATOM 275 O ALA A 18 9.931 3.896 9.147 1.00 1.58 O ATOM 276 CB ALA A 18 9.235 3.224 5.992 1.00 1.03 C ATOM 0 H ALA A 18 6.849 3.896 6.266 1.00 0.82 H new ATOM 0 HA ALA A 18 8.634 2.236 7.790 1.00 1.03 H new ATOM 0 HB1 ALA A 18 10.299 3.047 6.148 1.00 1.03 H new ATOM 0 HB2 ALA A 18 8.826 2.438 5.357 1.00 1.03 H new ATOM 0 HB3 ALA A 18 9.095 4.191 5.509 1.00 1.03 H new ATOM 282 N GLY A 19 8.761 5.488 8.088 1.00 1.23 N ATOM 283 CA GLY A 19 9.345 6.550 8.862 1.00 1.56 C ATOM 284 C GLY A 19 10.317 7.313 8.009 1.00 1.74 C ATOM 285 O GLY A 19 10.968 6.709 7.138 1.00 2.32 O ATOM 0 H GLY A 19 8.055 5.786 7.415 1.00 1.23 H new ATOM 0 HA2 GLY A 19 8.566 7.217 9.230 1.00 1.56 H new ATOM 0 HA3 GLY A 19 9.854 6.141 9.735 1.00 1.56 H new ATOM 289 N GLU A 20 10.400 8.625 8.232 1.00 2.01 N ATOM 290 CA GLU A 20 11.232 9.540 7.452 1.00 2.53 C ATOM 291 C GLU A 20 10.649 9.718 6.041 1.00 2.51 C ATOM 292 O GLU A 20 10.032 8.812 5.484 1.00 3.17 O ATOM 293 CB GLU A 20 12.727 9.106 7.426 1.00 3.47 C ATOM 294 CG GLU A 20 13.650 10.027 6.629 1.00 4.03 C ATOM 295 CD GLU A 20 13.679 11.442 7.158 1.00 4.59 C ATOM 296 OE1 GLU A 20 12.720 12.213 6.921 1.00 5.17 O ATOM 297 OE2 GLU A 20 14.655 11.810 7.828 1.00 4.85 O ATOM 0 H GLU A 20 9.880 9.090 8.976 1.00 2.01 H new ATOM 0 HA GLU A 20 11.217 10.511 7.946 1.00 2.53 H new ATOM 0 HB2 GLU A 20 13.092 9.049 8.452 1.00 3.47 H new ATOM 0 HB3 GLU A 20 12.791 8.101 7.009 1.00 3.47 H new ATOM 0 HG2 GLU A 20 14.661 9.619 6.644 1.00 4.03 H new ATOM 0 HG3 GLU A 20 13.328 10.042 5.588 1.00 4.03 H new ATOM 304 N THR A 21 10.811 10.874 5.492 1.00 2.53 N ATOM 305 CA THR A 21 10.294 11.144 4.204 1.00 3.19 C ATOM 306 C THR A 21 11.338 10.748 3.148 1.00 3.12 C ATOM 307 O THR A 21 12.426 10.254 3.503 1.00 3.48 O ATOM 308 CB THR A 21 9.813 12.626 4.055 1.00 4.10 C ATOM 309 OG1 THR A 21 9.115 12.818 2.811 1.00 4.58 O ATOM 310 CG2 THR A 21 10.983 13.604 4.144 1.00 4.86 C ATOM 0 H THR A 21 11.305 11.653 5.926 1.00 2.53 H new ATOM 0 HA THR A 21 9.400 10.540 4.048 1.00 3.19 H new ATOM 0 HB THR A 21 9.130 12.827 4.880 1.00 4.10 H new ATOM 0 HG1 THR A 21 8.822 13.751 2.741 1.00 4.58 H new ATOM 0 HG21 THR A 21 10.614 14.624 4.037 1.00 4.86 H new ATOM 0 HG22 THR A 21 11.475 13.496 5.111 1.00 4.86 H new ATOM 0 HG23 THR A 21 11.697 13.391 3.348 1.00 4.86 H new ATOM 318 N ASP A 22 11.030 11.014 1.897 1.00 3.06 N ATOM 319 CA ASP A 22 11.843 10.615 0.740 1.00 3.18 C ATOM 320 C ASP A 22 12.188 9.140 0.795 1.00 2.90 C ATOM 321 O ASP A 22 13.262 8.749 1.246 1.00 3.34 O ATOM 322 CB ASP A 22 13.100 11.475 0.554 1.00 3.66 C ATOM 323 CG ASP A 22 13.886 11.086 -0.684 1.00 4.04 C ATOM 324 OD1 ASP A 22 13.403 11.339 -1.817 1.00 4.50 O ATOM 325 OD2 ASP A 22 14.986 10.521 -0.560 1.00 4.28 O ATOM 0 H ASP A 22 10.188 11.527 1.637 1.00 3.06 H new ATOM 0 HA ASP A 22 11.225 10.792 -0.140 1.00 3.18 H new ATOM 0 HB2 ASP A 22 12.813 12.524 0.484 1.00 3.66 H new ATOM 0 HB3 ASP A 22 13.738 11.377 1.432 1.00 3.66 H new ATOM 330 N GLY A 23 11.238 8.333 0.417 1.00 2.71 N ATOM 331 CA GLY A 23 11.409 6.912 0.459 1.00 2.74 C ATOM 332 C GLY A 23 12.294 6.415 -0.646 1.00 2.39 C ATOM 333 O GLY A 23 11.839 6.280 -1.782 1.00 2.77 O ATOM 0 H GLY A 23 10.328 8.641 0.073 1.00 2.71 H new ATOM 0 HA2 GLY A 23 11.836 6.627 1.420 1.00 2.74 H new ATOM 0 HA3 GLY A 23 10.435 6.428 0.388 1.00 2.74 H new ATOM 337 N THR A 24 13.563 6.227 -0.314 1.00 2.07 N ATOM 338 CA THR A 24 14.590 5.657 -1.179 1.00 1.91 C ATOM 339 C THR A 24 14.546 6.188 -2.623 1.00 1.88 C ATOM 340 O THR A 24 14.712 7.393 -2.883 1.00 2.57 O ATOM 341 CB THR A 24 14.567 4.083 -1.122 1.00 2.18 C ATOM 342 OG1 THR A 24 13.296 3.563 -1.577 1.00 2.87 O ATOM 343 CG2 THR A 24 14.799 3.601 0.300 1.00 2.46 C ATOM 0 H THR A 24 13.923 6.478 0.607 1.00 2.07 H new ATOM 0 HA THR A 24 15.548 5.995 -0.783 1.00 1.91 H new ATOM 0 HB THR A 24 15.361 3.723 -1.776 1.00 2.18 H new ATOM 0 HG1 THR A 24 13.308 2.584 -1.533 1.00 2.87 H new ATOM 0 HG21 THR A 24 14.780 2.511 0.322 1.00 2.46 H new ATOM 0 HG22 THR A 24 15.769 3.954 0.650 1.00 2.46 H new ATOM 0 HG23 THR A 24 14.015 3.991 0.949 1.00 2.46 H new ATOM 351 N ASP A 25 14.288 5.302 -3.511 1.00 1.70 N ATOM 352 CA ASP A 25 14.138 5.553 -4.929 1.00 1.79 C ATOM 353 C ASP A 25 12.777 5.012 -5.318 1.00 1.40 C ATOM 354 O ASP A 25 12.499 4.707 -6.474 1.00 1.51 O ATOM 355 CB ASP A 25 15.250 4.831 -5.731 1.00 2.34 C ATOM 356 CG ASP A 25 15.143 3.312 -5.721 1.00 2.77 C ATOM 357 OD1 ASP A 25 15.229 2.698 -4.625 1.00 3.17 O ATOM 358 OD2 ASP A 25 14.967 2.710 -6.797 1.00 3.23 O ATOM 0 H ASP A 25 14.165 4.318 -3.272 1.00 1.70 H new ATOM 0 HA ASP A 25 14.220 6.618 -5.148 1.00 1.79 H new ATOM 0 HB2 ASP A 25 15.221 5.179 -6.764 1.00 2.34 H new ATOM 0 HB3 ASP A 25 16.220 5.118 -5.325 1.00 2.34 H new ATOM 363 N LEU A 26 11.896 4.982 -4.329 1.00 1.16 N ATOM 364 CA LEU A 26 10.558 4.413 -4.447 1.00 0.93 C ATOM 365 C LEU A 26 9.599 5.426 -5.103 1.00 0.82 C ATOM 366 O LEU A 26 8.380 5.225 -5.154 1.00 0.80 O ATOM 367 CB LEU A 26 10.063 4.058 -3.042 1.00 0.99 C ATOM 368 CG LEU A 26 8.993 2.994 -2.947 1.00 0.82 C ATOM 369 CD1 LEU A 26 9.581 1.661 -3.369 1.00 0.95 C ATOM 370 CD2 LEU A 26 8.439 2.922 -1.534 1.00 1.03 C ATOM 0 H LEU A 26 12.094 5.360 -3.402 1.00 1.16 H new ATOM 0 HA LEU A 26 10.589 3.521 -5.073 1.00 0.93 H new ATOM 0 HB2 LEU A 26 10.920 3.733 -2.452 1.00 0.99 H new ATOM 0 HB3 LEU A 26 9.682 4.967 -2.576 1.00 0.99 H new ATOM 0 HG LEU A 26 8.167 3.245 -3.613 1.00 0.82 H new ATOM 0 HD11 LEU A 26 8.815 0.888 -3.303 1.00 0.95 H new ATOM 0 HD12 LEU A 26 9.939 1.730 -4.396 1.00 0.95 H new ATOM 0 HD13 LEU A 26 10.412 1.405 -2.711 1.00 0.95 H new ATOM 0 HD21 LEU A 26 7.670 2.151 -1.484 1.00 1.03 H new ATOM 0 HD22 LEU A 26 9.243 2.678 -0.840 1.00 1.03 H new ATOM 0 HD23 LEU A 26 8.006 3.885 -1.264 1.00 1.03 H new ATOM 382 N SER A 27 10.165 6.495 -5.597 1.00 0.90 N ATOM 383 CA SER A 27 9.446 7.541 -6.241 1.00 0.92 C ATOM 384 C SER A 27 9.042 7.131 -7.654 1.00 0.91 C ATOM 385 O SER A 27 9.807 6.473 -8.365 1.00 1.08 O ATOM 386 CB SER A 27 10.318 8.784 -6.236 1.00 1.15 C ATOM 387 OG SER A 27 11.673 8.459 -6.564 1.00 1.46 O ATOM 0 H SER A 27 11.171 6.659 -5.557 1.00 0.90 H new ATOM 0 HA SER A 27 8.520 7.751 -5.706 1.00 0.92 H new ATOM 0 HB2 SER A 27 9.930 9.508 -6.952 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.280 9.255 -5.254 1.00 1.15 H new ATOM 0 HG SER A 27 12.216 9.275 -6.557 1.00 1.46 H new ATOM 393 N GLY A 28 7.838 7.466 -8.033 1.00 0.93 N ATOM 394 CA GLY A 28 7.376 7.136 -9.344 1.00 0.99 C ATOM 395 C GLY A 28 6.441 5.977 -9.289 1.00 0.85 C ATOM 396 O GLY A 28 5.612 5.891 -8.374 1.00 1.02 O ATOM 0 H GLY A 28 7.165 7.965 -7.451 1.00 0.93 H new ATOM 0 HA2 GLY A 28 6.873 7.996 -9.787 1.00 0.99 H new ATOM 0 HA3 GLY A 28 8.224 6.897 -9.986 1.00 0.99 H new ATOM 400 N ASP A 29 6.552 5.084 -10.217 1.00 0.70 N ATOM 401 CA ASP A 29 5.710 3.928 -10.204 1.00 0.64 C ATOM 402 C ASP A 29 6.512 2.742 -9.761 1.00 0.55 C ATOM 403 O ASP A 29 7.351 2.225 -10.502 1.00 0.74 O ATOM 404 CB ASP A 29 5.069 3.659 -11.554 1.00 0.80 C ATOM 405 CG ASP A 29 4.092 2.519 -11.471 1.00 1.29 C ATOM 406 OD1 ASP A 29 4.506 1.349 -11.624 1.00 2.07 O ATOM 407 OD2 ASP A 29 2.900 2.778 -11.231 1.00 1.68 O ATOM 0 H ASP A 29 7.214 5.130 -10.992 1.00 0.70 H new ATOM 0 HA ASP A 29 4.895 4.114 -9.504 1.00 0.64 H new ATOM 0 HB2 ASP A 29 4.557 4.556 -11.902 1.00 0.80 H new ATOM 0 HB3 ASP A 29 5.841 3.428 -12.287 1.00 0.80 H new ATOM 412 N PHE A 30 6.292 2.325 -8.554 1.00 0.39 N ATOM 413 CA PHE A 30 7.043 1.235 -7.997 1.00 0.34 C ATOM 414 C PHE A 30 6.206 -0.035 -7.937 1.00 0.31 C ATOM 415 O PHE A 30 6.552 -0.958 -7.232 1.00 0.31 O ATOM 416 CB PHE A 30 7.585 1.609 -6.594 1.00 0.35 C ATOM 417 CG PHE A 30 6.538 1.776 -5.507 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.759 2.918 -5.426 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.357 0.784 -4.552 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.824 3.063 -4.422 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.426 0.922 -3.549 1.00 0.38 C ATOM 422 CZ PHE A 30 4.657 2.065 -3.482 1.00 0.42 C ATOM 0 H PHE A 30 5.593 2.724 -7.928 1.00 0.39 H new ATOM 0 HA PHE A 30 7.893 1.040 -8.651 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.289 0.839 -6.279 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.147 2.539 -6.678 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.885 3.703 -6.157 1.00 0.39 H new ATOM 0 HD2 PHE A 30 6.958 -0.112 -4.598 1.00 0.34 H new ATOM 0 HE1 PHE A 30 4.222 3.958 -4.371 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.298 0.138 -2.817 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.925 2.179 -2.696 1.00 0.42 H new ATOM 432 N LEU A 31 5.123 -0.089 -8.729 1.00 0.31 N ATOM 433 CA LEU A 31 4.179 -1.236 -8.734 1.00 0.31 C ATOM 434 C LEU A 31 4.833 -2.612 -8.921 1.00 0.31 C ATOM 435 O LEU A 31 4.252 -3.632 -8.536 1.00 0.35 O ATOM 436 CB LEU A 31 3.032 -1.050 -9.728 1.00 0.33 C ATOM 437 CG LEU A 31 2.062 0.100 -9.446 1.00 0.34 C ATOM 438 CD1 LEU A 31 0.924 0.073 -10.442 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.520 0.021 -8.031 1.00 0.32 C ATOM 0 H LEU A 31 4.871 0.652 -9.383 1.00 0.31 H new ATOM 0 HA LEU A 31 3.770 -1.232 -7.724 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.461 -0.899 -10.719 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.460 -1.977 -9.766 1.00 0.33 H new ATOM 0 HG LEU A 31 2.606 1.039 -9.549 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.239 0.895 -10.234 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.321 0.179 -11.451 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.391 -0.874 -10.359 1.00 0.39 H new ATOM 0 HD21 LEU A 31 0.834 0.850 -7.857 1.00 0.32 H new ATOM 0 HD22 LEU A 31 0.991 -0.923 -7.896 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.345 0.079 -7.321 1.00 0.32 H new ATOM 451 N ASP A 32 6.014 -2.636 -9.504 1.00 0.31 N ATOM 452 CA ASP A 32 6.729 -3.888 -9.743 1.00 0.37 C ATOM 453 C ASP A 32 7.723 -4.189 -8.621 1.00 0.37 C ATOM 454 O ASP A 32 8.095 -5.344 -8.404 1.00 0.45 O ATOM 455 CB ASP A 32 7.461 -3.843 -11.089 1.00 0.48 C ATOM 456 CG ASP A 32 8.224 -5.119 -11.385 1.00 1.29 C ATOM 457 OD1 ASP A 32 7.591 -6.162 -11.658 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.474 -5.111 -11.333 1.00 1.83 O ATOM 0 H ASP A 32 6.507 -1.803 -9.825 1.00 0.31 H new ATOM 0 HA ASP A 32 5.988 -4.687 -9.765 1.00 0.37 H new ATOM 0 HB2 ASP A 32 6.738 -3.664 -11.885 1.00 0.48 H new ATOM 0 HB3 ASP A 32 8.154 -3.001 -11.093 1.00 0.48 H new ATOM 463 N LEU A 33 8.098 -3.170 -7.882 1.00 0.35 N ATOM 464 CA LEU A 33 9.086 -3.318 -6.835 1.00 0.37 C ATOM 465 C LEU A 33 8.448 -3.932 -5.625 1.00 0.34 C ATOM 466 O LEU A 33 7.596 -3.336 -4.981 1.00 0.40 O ATOM 467 CB LEU A 33 9.801 -1.991 -6.487 1.00 0.41 C ATOM 468 CG LEU A 33 10.780 -1.414 -7.539 1.00 0.51 C ATOM 469 CD1 LEU A 33 11.817 -2.445 -7.948 1.00 1.37 C ATOM 470 CD2 LEU A 33 10.059 -0.848 -8.755 1.00 1.27 C ATOM 0 H LEU A 33 7.732 -2.224 -7.987 1.00 0.35 H new ATOM 0 HA LEU A 33 9.866 -3.982 -7.207 1.00 0.37 H new ATOM 0 HB2 LEU A 33 9.038 -1.239 -6.288 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.352 -2.139 -5.558 1.00 0.41 H new ATOM 0 HG LEU A 33 11.298 -0.581 -7.063 1.00 0.51 H new ATOM 0 HD11 LEU A 33 12.490 -2.011 -8.687 1.00 1.37 H new ATOM 0 HD12 LEU A 33 12.389 -2.752 -7.073 1.00 1.37 H new ATOM 0 HD13 LEU A 33 11.317 -3.313 -8.378 1.00 1.37 H new ATOM 0 HD21 LEU A 33 10.790 -0.456 -9.462 1.00 1.27 H new ATOM 0 HD22 LEU A 33 9.478 -1.637 -9.233 1.00 1.27 H new ATOM 0 HD23 LEU A 33 9.392 -0.045 -8.441 1.00 1.27 H new ATOM 482 N ARG A 34 8.881 -5.112 -5.326 1.00 0.33 N ATOM 483 CA ARG A 34 8.288 -5.936 -4.311 1.00 0.34 C ATOM 484 C ARG A 34 8.694 -5.446 -2.950 1.00 0.29 C ATOM 485 O ARG A 34 9.829 -5.011 -2.759 1.00 0.34 O ATOM 486 CB ARG A 34 8.711 -7.384 -4.539 1.00 0.47 C ATOM 487 CG ARG A 34 8.483 -7.792 -5.978 1.00 0.61 C ATOM 488 CD ARG A 34 8.731 -9.246 -6.246 1.00 1.10 C ATOM 489 NE ARG A 34 8.468 -9.582 -7.659 1.00 1.91 N ATOM 490 CZ ARG A 34 7.768 -10.643 -8.060 1.00 3.03 C ATOM 491 NH1 ARG A 34 7.075 -11.343 -7.180 1.00 3.63 N ATOM 492 NH2 ARG A 34 7.682 -10.947 -9.350 1.00 3.94 N ATOM 0 H ARG A 34 9.678 -5.546 -5.790 1.00 0.33 H new ATOM 0 HA ARG A 34 7.201 -5.881 -4.367 1.00 0.34 H new ATOM 0 HB2 ARG A 34 9.764 -7.504 -4.285 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.147 -8.041 -3.877 1.00 0.47 H new ATOM 0 HG2 ARG A 34 7.456 -7.552 -6.255 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.133 -7.199 -6.621 1.00 0.61 H new ATOM 0 HD2 ARG A 34 9.763 -9.493 -5.997 1.00 1.10 H new ATOM 0 HD3 ARG A 34 8.094 -9.851 -5.601 1.00 1.10 H new ATOM 0 HE ARG A 34 8.847 -8.962 -8.375 1.00 1.91 H new ATOM 0 HH11 ARG A 34 7.077 -11.071 -6.197 1.00 3.63 H new ATOM 0 HH12 ARG A 34 6.538 -12.155 -7.484 1.00 3.63 H new ATOM 0 HH21 ARG A 34 8.154 -10.367 -10.043 1.00 3.94 H new ATOM 0 HH22 ARG A 34 7.144 -11.761 -9.647 1.00 3.94 H new ATOM 506 N PHE A 35 7.785 -5.535 -2.001 1.00 0.25 N ATOM 507 CA PHE A 35 8.005 -4.980 -0.671 1.00 0.24 C ATOM 508 C PHE A 35 9.187 -5.646 0.007 1.00 0.27 C ATOM 509 O PHE A 35 10.014 -4.979 0.617 1.00 0.29 O ATOM 510 CB PHE A 35 6.752 -5.077 0.191 1.00 0.26 C ATOM 511 CG PHE A 35 5.526 -4.558 -0.482 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.306 -3.205 -0.559 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.593 -5.418 -1.028 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.185 -2.708 -1.167 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.463 -4.923 -1.642 1.00 0.32 C ATOM 516 CZ PHE A 35 3.252 -3.637 -1.745 1.00 0.35 C ATOM 0 H PHE A 35 6.879 -5.989 -2.122 1.00 0.25 H new ATOM 0 HA PHE A 35 8.237 -3.922 -0.791 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.591 -6.119 0.469 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.912 -4.522 1.115 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.028 -2.523 -0.134 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.750 -6.485 -0.973 1.00 0.27 H new ATOM 0 HE1 PHE A 35 4.006 -1.644 -1.212 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.736 -5.612 -2.047 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.378 -3.273 -2.264 1.00 0.35 H new ATOM 526 N GLU A 36 9.279 -6.948 -0.134 1.00 0.37 N ATOM 527 CA GLU A 36 10.398 -7.725 0.384 1.00 0.47 C ATOM 528 C GLU A 36 11.721 -7.192 -0.176 1.00 0.46 C ATOM 529 O GLU A 36 12.726 -7.076 0.532 1.00 0.51 O ATOM 530 CB GLU A 36 10.237 -9.189 -0.019 1.00 0.64 C ATOM 531 CG GLU A 36 11.319 -10.105 0.518 1.00 1.56 C ATOM 532 CD GLU A 36 11.308 -10.165 2.016 1.00 2.12 C ATOM 533 OE1 GLU A 36 11.968 -9.342 2.666 1.00 2.79 O ATOM 534 OE2 GLU A 36 10.615 -11.028 2.570 1.00 2.45 O ATOM 0 H GLU A 36 8.576 -7.510 -0.615 1.00 0.37 H new ATOM 0 HA GLU A 36 10.409 -7.639 1.471 1.00 0.47 H new ATOM 0 HB2 GLU A 36 9.268 -9.546 0.331 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.227 -9.256 -1.107 1.00 0.64 H new ATOM 0 HG2 GLU A 36 11.180 -11.108 0.113 1.00 1.56 H new ATOM 0 HG3 GLU A 36 12.293 -9.756 0.176 1.00 1.56 H new ATOM 541 N ASP A 37 11.680 -6.796 -1.417 1.00 0.44 N ATOM 542 CA ASP A 37 12.857 -6.374 -2.136 1.00 0.50 C ATOM 543 C ASP A 37 13.213 -4.930 -1.800 1.00 0.48 C ATOM 544 O ASP A 37 14.369 -4.531 -1.892 1.00 0.60 O ATOM 545 CB ASP A 37 12.628 -6.566 -3.637 1.00 0.57 C ATOM 546 CG ASP A 37 13.832 -6.247 -4.481 1.00 0.68 C ATOM 547 OD1 ASP A 37 14.906 -6.837 -4.250 1.00 0.74 O ATOM 548 OD2 ASP A 37 13.749 -5.340 -5.334 1.00 0.88 O ATOM 0 H ASP A 37 10.822 -6.755 -1.967 1.00 0.44 H new ATOM 0 HA ASP A 37 13.706 -6.987 -1.832 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.331 -7.598 -3.820 1.00 0.57 H new ATOM 0 HB3 ASP A 37 11.797 -5.934 -3.952 1.00 0.57 H new ATOM 553 N ILE A 38 12.227 -4.165 -1.356 1.00 0.40 N ATOM 554 CA ILE A 38 12.457 -2.778 -0.952 1.00 0.42 C ATOM 555 C ILE A 38 12.612 -2.645 0.579 1.00 0.42 C ATOM 556 O ILE A 38 12.563 -1.542 1.139 1.00 0.50 O ATOM 557 CB ILE A 38 11.368 -1.798 -1.480 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.980 -2.172 -0.933 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.363 -1.798 -3.004 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.855 -1.265 -1.379 1.00 0.60 C ATOM 0 H ILE A 38 11.260 -4.477 -1.265 1.00 0.40 H new ATOM 0 HA ILE A 38 13.398 -2.488 -1.420 1.00 0.42 H new ATOM 0 HB ILE A 38 11.606 -0.794 -1.129 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.748 -3.192 -1.239 1.00 0.47 H new ATOM 0 HG13 ILE A 38 10.021 -2.167 0.156 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.599 -1.110 -3.365 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.339 -1.481 -3.371 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.148 -2.803 -3.367 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.917 -1.608 -0.943 1.00 0.60 H new ATOM 0 HD12 ILE A 38 9.057 -0.246 -1.050 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.779 -1.287 -2.466 1.00 0.60 H new ATOM 572 N GLY A 39 12.837 -3.774 1.237 1.00 0.42 N ATOM 573 CA GLY A 39 13.101 -3.779 2.669 1.00 0.50 C ATOM 574 C GLY A 39 11.865 -3.576 3.524 1.00 0.47 C ATOM 575 O GLY A 39 11.912 -2.899 4.545 1.00 0.66 O ATOM 0 H GLY A 39 12.842 -4.697 0.803 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.566 -4.727 2.939 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.822 -2.994 2.898 1.00 0.50 H new ATOM 579 N TYR A 40 10.767 -4.126 3.107 1.00 0.36 N ATOM 580 CA TYR A 40 9.546 -4.035 3.860 1.00 0.36 C ATOM 581 C TYR A 40 9.131 -5.370 4.387 1.00 0.42 C ATOM 582 O TYR A 40 9.078 -6.357 3.644 1.00 0.59 O ATOM 583 CB TYR A 40 8.414 -3.441 3.025 1.00 0.36 C ATOM 584 CG TYR A 40 8.365 -1.939 3.001 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.427 -1.219 2.478 1.00 0.70 C ATOM 586 CD2 TYR A 40 7.278 -1.241 3.497 1.00 0.64 C ATOM 587 CE1 TYR A 40 9.410 0.152 2.450 1.00 0.95 C ATOM 588 CE2 TYR A 40 7.245 0.132 3.473 1.00 0.90 C ATOM 589 CZ TYR A 40 8.243 0.826 2.967 1.00 1.04 C ATOM 590 OH TYR A 40 8.270 2.197 2.927 1.00 1.33 O ATOM 0 H TYR A 40 10.688 -4.651 2.236 1.00 0.36 H new ATOM 0 HA TYR A 40 9.745 -3.370 4.701 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.509 -3.803 2.001 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.465 -3.815 3.409 1.00 0.36 H new ATOM 0 HD1 TYR A 40 10.283 -1.747 2.085 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.441 -1.785 3.910 1.00 0.64 H new ATOM 0 HE1 TYR A 40 10.245 0.711 2.053 1.00 0.95 H new ATOM 0 HE2 TYR A 40 6.387 0.650 3.875 1.00 0.90 H new ATOM 0 HH TYR A 40 7.637 2.556 3.584 1.00 1.33 H new ATOM 600 N ASP A 41 8.889 -5.421 5.666 1.00 0.42 N ATOM 601 CA ASP A 41 8.320 -6.600 6.281 1.00 0.51 C ATOM 602 C ASP A 41 6.836 -6.471 6.143 1.00 0.44 C ATOM 603 O ASP A 41 6.315 -5.346 6.176 1.00 0.38 O ATOM 604 CB ASP A 41 8.627 -6.686 7.775 1.00 0.67 C ATOM 605 CG ASP A 41 10.091 -6.635 8.130 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.627 -5.525 8.297 1.00 0.99 O ATOM 607 OD2 ASP A 41 10.725 -7.700 8.303 1.00 1.06 O ATOM 0 H ASP A 41 9.077 -4.655 6.313 1.00 0.42 H new ATOM 0 HA ASP A 41 8.736 -7.485 5.799 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.117 -5.867 8.283 1.00 0.67 H new ATOM 0 HB3 ASP A 41 8.207 -7.613 8.164 1.00 0.67 H new ATOM 612 N SER A 42 6.159 -7.562 5.959 1.00 0.51 N ATOM 613 CA SER A 42 4.720 -7.580 5.857 1.00 0.48 C ATOM 614 C SER A 42 4.017 -6.873 7.033 1.00 0.41 C ATOM 615 O SER A 42 2.972 -6.281 6.852 1.00 0.37 O ATOM 616 CB SER A 42 4.225 -8.993 5.646 1.00 0.59 C ATOM 617 OG SER A 42 4.737 -9.868 6.635 1.00 1.03 O ATOM 0 H SER A 42 6.590 -8.482 5.873 1.00 0.51 H new ATOM 0 HA SER A 42 4.449 -6.994 4.979 1.00 0.48 H new ATOM 0 HB2 SER A 42 3.135 -9.007 5.673 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.524 -9.342 4.658 1.00 0.59 H new ATOM 0 HG SER A 42 4.400 -10.774 6.476 1.00 1.03 H new ATOM 623 N LEU A 43 4.617 -6.908 8.222 1.00 0.45 N ATOM 624 CA LEU A 43 4.061 -6.203 9.384 1.00 0.46 C ATOM 625 C LEU A 43 4.102 -4.690 9.151 1.00 0.41 C ATOM 626 O LEU A 43 3.129 -3.977 9.423 1.00 0.41 O ATOM 627 CB LEU A 43 4.818 -6.580 10.667 1.00 0.59 C ATOM 628 CG LEU A 43 4.384 -5.878 11.966 1.00 0.75 C ATOM 629 CD1 LEU A 43 2.909 -6.124 12.262 1.00 1.56 C ATOM 630 CD2 LEU A 43 5.240 -6.353 13.129 1.00 1.24 C ATOM 0 H LEU A 43 5.483 -7.413 8.409 1.00 0.45 H new ATOM 0 HA LEU A 43 3.022 -6.507 9.510 1.00 0.46 H new ATOM 0 HB2 LEU A 43 4.720 -7.656 10.814 1.00 0.59 H new ATOM 0 HB3 LEU A 43 5.877 -6.375 10.508 1.00 0.59 H new ATOM 0 HG LEU A 43 4.525 -4.805 11.833 1.00 0.75 H new ATOM 0 HD11 LEU A 43 2.633 -5.615 13.186 1.00 1.56 H new ATOM 0 HD12 LEU A 43 2.304 -5.739 11.441 1.00 1.56 H new ATOM 0 HD13 LEU A 43 2.733 -7.194 12.371 1.00 1.56 H new ATOM 0 HD21 LEU A 43 4.924 -5.850 14.043 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.125 -7.430 13.250 1.00 1.24 H new ATOM 0 HD23 LEU A 43 6.286 -6.120 12.930 1.00 1.24 H new ATOM 642 N ALA A 44 5.219 -4.212 8.617 1.00 0.39 N ATOM 643 CA ALA A 44 5.362 -2.804 8.261 1.00 0.39 C ATOM 644 C ALA A 44 4.373 -2.459 7.152 1.00 0.34 C ATOM 645 O ALA A 44 3.812 -1.381 7.117 1.00 0.40 O ATOM 646 CB ALA A 44 6.790 -2.501 7.822 1.00 0.43 C ATOM 0 H ALA A 44 6.043 -4.780 8.420 1.00 0.39 H new ATOM 0 HA ALA A 44 5.146 -2.191 9.136 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.874 -1.446 7.561 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.477 -2.729 8.637 1.00 0.43 H new ATOM 0 HB3 ALA A 44 7.041 -3.111 6.954 1.00 0.43 H new ATOM 652 N LEU A 45 4.174 -3.406 6.262 1.00 0.29 N ATOM 653 CA LEU A 45 3.230 -3.274 5.168 1.00 0.28 C ATOM 654 C LEU A 45 1.768 -3.206 5.680 1.00 0.25 C ATOM 655 O LEU A 45 0.948 -2.454 5.161 1.00 0.26 O ATOM 656 CB LEU A 45 3.415 -4.434 4.197 1.00 0.30 C ATOM 657 CG LEU A 45 2.545 -4.417 2.956 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.794 -3.148 2.168 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.841 -5.629 2.108 1.00 0.38 C ATOM 0 H LEU A 45 4.666 -4.299 6.275 1.00 0.29 H new ATOM 0 HA LEU A 45 3.428 -2.336 4.649 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.459 -4.454 3.883 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.226 -5.363 4.734 1.00 0.30 H new ATOM 0 HG LEU A 45 1.496 -4.443 3.252 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.165 -3.143 1.278 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.554 -2.283 2.786 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.842 -3.103 1.872 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.213 -5.612 1.217 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.890 -5.619 1.813 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.634 -6.533 2.681 1.00 0.38 H new ATOM 671 N MET A 46 1.440 -4.010 6.683 1.00 0.24 N ATOM 672 CA MET A 46 0.097 -3.975 7.280 1.00 0.23 C ATOM 673 C MET A 46 -0.153 -2.633 7.945 1.00 0.25 C ATOM 674 O MET A 46 -1.264 -2.162 7.983 1.00 0.27 O ATOM 675 CB MET A 46 -0.126 -5.092 8.294 1.00 0.27 C ATOM 676 CG MET A 46 0.048 -6.494 7.744 1.00 0.34 C ATOM 677 SD MET A 46 -0.017 -7.746 9.034 1.00 0.50 S ATOM 678 CE MET A 46 0.331 -9.223 8.085 1.00 1.49 C ATOM 0 H MET A 46 2.074 -4.691 7.102 1.00 0.24 H new ATOM 0 HA MET A 46 -0.609 -4.124 6.463 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.567 -4.954 9.124 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.133 -4.999 8.701 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.731 -6.693 7.008 1.00 0.34 H new ATOM 0 HG3 MET A 46 1.003 -6.562 7.223 1.00 0.34 H new ATOM 0 HE1 MET A 46 -0.195 -10.070 8.525 1.00 1.49 H new ATOM 0 HE2 MET A 46 -0.003 -9.082 7.057 1.00 1.49 H new ATOM 0 HE3 MET A 46 1.403 -9.417 8.095 1.00 1.49 H new ATOM 688 N GLU A 47 0.919 -2.017 8.437 1.00 0.29 N ATOM 689 CA GLU A 47 0.872 -0.694 9.085 1.00 0.34 C ATOM 690 C GLU A 47 0.370 0.341 8.061 1.00 0.32 C ATOM 691 O GLU A 47 -0.347 1.299 8.385 1.00 0.36 O ATOM 692 CB GLU A 47 2.297 -0.323 9.509 1.00 0.45 C ATOM 693 CG GLU A 47 2.419 0.887 10.397 1.00 0.58 C ATOM 694 CD GLU A 47 1.888 0.618 11.765 1.00 1.03 C ATOM 695 OE1 GLU A 47 0.695 0.829 12.008 1.00 1.88 O ATOM 696 OE2 GLU A 47 2.660 0.169 12.630 1.00 1.25 O ATOM 0 H GLU A 47 1.856 -2.419 8.401 1.00 0.29 H new ATOM 0 HA GLU A 47 0.208 -0.711 9.949 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.737 -1.176 10.026 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.891 -0.154 8.611 1.00 0.45 H new ATOM 0 HG2 GLU A 47 3.465 1.186 10.464 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.877 1.722 9.953 1.00 0.58 H new ATOM 703 N THR A 48 0.746 0.090 6.839 1.00 0.30 N ATOM 704 CA THR A 48 0.419 0.893 5.697 1.00 0.33 C ATOM 705 C THR A 48 -1.064 0.762 5.465 1.00 0.29 C ATOM 706 O THR A 48 -1.819 1.732 5.589 1.00 0.33 O ATOM 707 CB THR A 48 1.210 0.355 4.486 1.00 0.36 C ATOM 708 OG1 THR A 48 2.603 0.342 4.807 1.00 0.42 O ATOM 709 CG2 THR A 48 0.989 1.191 3.250 1.00 0.45 C ATOM 0 H THR A 48 1.317 -0.721 6.602 1.00 0.30 H new ATOM 0 HA THR A 48 0.676 1.942 5.847 1.00 0.33 H new ATOM 0 HB THR A 48 0.854 -0.653 4.272 1.00 0.36 H new ATOM 0 HG1 THR A 48 2.819 1.123 5.359 1.00 0.42 H new ATOM 0 HG21 THR A 48 1.565 0.776 2.422 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.070 1.188 2.993 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.313 2.214 3.440 1.00 0.45 H new ATOM 717 N ALA A 49 -1.469 -0.476 5.195 1.00 0.25 N ATOM 718 CA ALA A 49 -2.846 -0.840 4.940 1.00 0.24 C ATOM 719 C ALA A 49 -3.754 -0.375 6.074 1.00 0.22 C ATOM 720 O ALA A 49 -4.884 0.036 5.836 1.00 0.23 O ATOM 721 CB ALA A 49 -2.938 -2.348 4.769 1.00 0.27 C ATOM 0 H ALA A 49 -0.828 -1.268 5.148 1.00 0.25 H new ATOM 0 HA ALA A 49 -3.181 -0.348 4.027 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.973 -2.630 4.576 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.315 -2.658 3.930 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.591 -2.839 5.678 1.00 0.27 H new ATOM 727 N ALA A 50 -3.225 -0.407 7.291 1.00 0.23 N ATOM 728 CA ALA A 50 -3.927 -0.007 8.471 1.00 0.26 C ATOM 729 C ALA A 50 -4.448 1.413 8.365 1.00 0.28 C ATOM 730 O ALA A 50 -5.630 1.672 8.623 1.00 0.30 O ATOM 731 CB ALA A 50 -3.063 -0.148 9.708 1.00 0.33 C ATOM 0 H ALA A 50 -2.272 -0.722 7.473 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.781 -0.678 8.565 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.629 0.165 10.585 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -2.760 -1.189 9.824 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.177 0.478 9.606 1.00 0.33 H new ATOM 737 N ARG A 51 -3.564 2.327 7.972 1.00 0.31 N ATOM 738 CA ARG A 51 -3.913 3.737 7.834 1.00 0.37 C ATOM 739 C ARG A 51 -4.899 3.956 6.693 1.00 0.36 C ATOM 740 O ARG A 51 -5.708 4.875 6.731 1.00 0.40 O ATOM 741 CB ARG A 51 -2.669 4.614 7.682 1.00 0.45 C ATOM 742 CG ARG A 51 -1.730 4.522 8.872 1.00 0.54 C ATOM 743 CD ARG A 51 -0.551 5.471 8.753 1.00 0.70 C ATOM 744 NE ARG A 51 0.365 5.326 9.893 1.00 1.59 N ATOM 745 CZ ARG A 51 1.306 6.200 10.265 1.00 1.76 C ATOM 746 NH1 ARG A 51 1.333 7.428 9.764 1.00 1.27 N ATOM 747 NH2 ARG A 51 2.167 5.865 11.206 1.00 2.84 N ATOM 0 H ARG A 51 -2.594 2.113 7.742 1.00 0.31 H new ATOM 0 HA ARG A 51 -4.409 4.042 8.756 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -2.133 4.321 6.779 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.976 5.651 7.548 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -2.282 4.745 9.785 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -1.363 3.500 8.963 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -0.015 5.274 7.825 1.00 0.70 H new ATOM 0 HD3 ARG A 51 -0.911 6.498 8.701 1.00 0.70 H new ATOM 0 HE ARG A 51 0.274 4.479 10.453 1.00 1.59 H new ATOM 0 HH11 ARG A 51 0.629 7.717 9.085 1.00 1.27 H new ATOM 0 HH12 ARG A 51 2.058 8.083 10.058 1.00 1.27 H new ATOM 0 HH21 ARG A 51 2.112 4.945 11.644 1.00 2.84 H new ATOM 0 HH22 ARG A 51 2.888 6.525 11.496 1.00 2.84 H new ATOM 761 N LEU A 52 -4.819 3.116 5.676 1.00 0.32 N ATOM 762 CA LEU A 52 -5.764 3.137 4.591 1.00 0.34 C ATOM 763 C LEU A 52 -7.146 2.774 5.094 1.00 0.33 C ATOM 764 O LEU A 52 -8.132 3.458 4.778 1.00 0.37 O ATOM 765 CB LEU A 52 -5.314 2.168 3.513 1.00 0.35 C ATOM 766 CG LEU A 52 -4.250 2.656 2.536 1.00 0.43 C ATOM 767 CD1 LEU A 52 -4.827 3.694 1.625 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.022 3.221 3.219 1.00 0.69 C ATOM 0 H LEU A 52 -4.095 2.403 5.586 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.810 4.141 4.168 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.937 1.270 4.002 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -6.191 1.873 2.937 1.00 0.35 H new ATOM 0 HG LEU A 52 -3.931 1.781 1.970 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -4.059 4.036 0.931 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -5.658 3.265 1.065 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -5.185 4.538 2.215 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.306 3.549 2.466 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -3.309 4.069 3.841 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -2.566 2.452 3.842 1.00 0.69 H new ATOM 780 N GLU A 53 -7.206 1.710 5.889 1.00 0.29 N ATOM 781 CA GLU A 53 -8.441 1.259 6.500 1.00 0.32 C ATOM 782 C GLU A 53 -9.051 2.361 7.322 1.00 0.35 C ATOM 783 O GLU A 53 -10.230 2.690 7.153 1.00 0.42 O ATOM 784 CB GLU A 53 -8.212 0.065 7.401 1.00 0.32 C ATOM 785 CG GLU A 53 -7.654 -1.159 6.731 1.00 0.34 C ATOM 786 CD GLU A 53 -7.535 -2.289 7.701 1.00 0.40 C ATOM 787 OE1 GLU A 53 -6.492 -2.417 8.362 1.00 0.46 O ATOM 788 OE2 GLU A 53 -8.502 -3.048 7.841 1.00 0.48 O ATOM 0 H GLU A 53 -6.395 1.138 6.125 1.00 0.29 H new ATOM 0 HA GLU A 53 -9.112 0.973 5.690 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.532 0.361 8.200 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -9.159 -0.200 7.870 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -8.299 -1.452 5.903 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.675 -0.933 6.308 1.00 0.34 H new ATOM 795 N SER A 54 -8.243 2.933 8.193 1.00 0.35 N ATOM 796 CA SER A 54 -8.700 3.983 9.072 1.00 0.41 C ATOM 797 C SER A 54 -9.153 5.261 8.324 1.00 0.45 C ATOM 798 O SER A 54 -10.287 5.736 8.522 1.00 0.55 O ATOM 799 CB SER A 54 -7.648 4.260 10.153 1.00 0.47 C ATOM 800 OG SER A 54 -6.340 4.319 9.612 1.00 1.19 O ATOM 0 H SER A 54 -7.261 2.684 8.308 1.00 0.35 H new ATOM 0 HA SER A 54 -9.605 3.628 9.565 1.00 0.41 H new ATOM 0 HB2 SER A 54 -7.878 5.202 10.651 1.00 0.47 H new ATOM 0 HB3 SER A 54 -7.692 3.479 10.912 1.00 0.47 H new ATOM 0 HG SER A 54 -6.380 4.667 8.697 1.00 1.19 H new ATOM 806 N ARG A 55 -8.299 5.786 7.451 1.00 0.44 N ATOM 807 CA ARG A 55 -8.593 7.030 6.730 1.00 0.54 C ATOM 808 C ARG A 55 -9.768 6.886 5.746 1.00 0.56 C ATOM 809 O ARG A 55 -10.717 7.680 5.767 1.00 0.68 O ATOM 810 CB ARG A 55 -7.371 7.528 5.949 1.00 0.63 C ATOM 811 CG ARG A 55 -7.587 8.902 5.328 1.00 0.83 C ATOM 812 CD ARG A 55 -6.533 9.265 4.297 1.00 1.08 C ATOM 813 NE ARG A 55 -5.172 9.347 4.830 1.00 1.65 N ATOM 814 CZ ARG A 55 -4.092 9.680 4.091 1.00 2.21 C ATOM 815 NH1 ARG A 55 -4.196 9.820 2.762 1.00 2.35 N ATOM 816 NH2 ARG A 55 -2.917 9.862 4.670 1.00 3.07 N ATOM 0 H ARG A 55 -7.395 5.372 7.222 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.867 7.752 7.500 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -6.510 7.567 6.617 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -7.132 6.812 5.162 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -8.570 8.931 4.858 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -7.588 9.654 6.117 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -6.554 8.525 3.497 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -6.794 10.224 3.850 1.00 1.08 H new ATOM 0 HE ARG A 55 -5.031 9.140 5.819 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -5.095 9.675 2.303 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -3.376 10.072 2.210 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -2.823 9.751 5.680 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -2.104 10.113 4.107 1.00 3.07 H new ATOM 830 N TYR A 56 -9.727 5.863 4.918 1.00 0.50 N ATOM 831 CA TYR A 56 -10.674 5.756 3.812 1.00 0.57 C ATOM 832 C TYR A 56 -11.911 4.960 4.166 1.00 0.61 C ATOM 833 O TYR A 56 -12.937 5.064 3.482 1.00 0.74 O ATOM 834 CB TYR A 56 -9.982 5.181 2.567 1.00 0.62 C ATOM 835 CG TYR A 56 -8.872 6.064 2.048 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.146 7.131 1.207 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.556 5.841 2.411 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.137 7.949 0.746 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.544 6.651 1.950 1.00 0.85 C ATOM 840 CZ TYR A 56 -6.838 7.704 1.122 1.00 0.91 C ATOM 841 OH TYR A 56 -5.829 8.523 0.677 1.00 1.01 O ATOM 0 H TYR A 56 -9.057 5.097 4.983 1.00 0.50 H new ATOM 0 HA TYR A 56 -11.018 6.766 3.591 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.576 4.198 2.805 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.723 5.037 1.780 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.166 7.324 0.908 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.319 5.017 3.068 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -8.366 8.778 0.093 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.521 6.458 2.239 1.00 0.85 H new ATOM 0 HH TYR A 56 -6.179 9.428 0.538 1.00 1.01 H new ATOM 851 N GLY A 57 -11.839 4.195 5.228 1.00 0.58 N ATOM 852 CA GLY A 57 -12.976 3.412 5.636 1.00 0.66 C ATOM 853 C GLY A 57 -13.044 2.122 4.867 1.00 0.71 C ATOM 854 O GLY A 57 -13.923 1.929 4.024 1.00 0.93 O ATOM 0 H GLY A 57 -11.013 4.099 5.819 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.913 3.201 6.703 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.891 3.983 5.478 1.00 0.66 H new ATOM 858 N VAL A 58 -12.107 1.266 5.118 1.00 0.60 N ATOM 859 CA VAL A 58 -12.055 -0.009 4.461 1.00 0.65 C ATOM 860 C VAL A 58 -11.595 -1.057 5.489 1.00 0.60 C ATOM 861 O VAL A 58 -11.268 -0.692 6.630 1.00 0.70 O ATOM 862 CB VAL A 58 -11.135 0.035 3.166 1.00 0.69 C ATOM 863 CG1 VAL A 58 -9.670 0.247 3.490 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.334 -1.166 2.241 1.00 1.16 C ATOM 0 H VAL A 58 -11.352 1.427 5.785 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.044 -0.285 4.095 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.471 0.913 2.614 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.092 0.268 2.566 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.547 1.194 4.016 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.315 -0.568 4.121 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -10.676 -1.073 1.377 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.098 -2.083 2.780 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -12.371 -1.199 1.906 1.00 1.16 H new ATOM 874 N SER A 59 -11.555 -2.300 5.116 1.00 0.62 N ATOM 875 CA SER A 59 -11.127 -3.355 5.990 1.00 0.67 C ATOM 876 C SER A 59 -10.289 -4.362 5.218 1.00 0.59 C ATOM 877 O SER A 59 -10.792 -5.096 4.370 1.00 0.72 O ATOM 878 CB SER A 59 -12.347 -3.995 6.675 1.00 0.92 C ATOM 879 OG SER A 59 -13.426 -4.170 5.756 1.00 1.87 O ATOM 0 H SER A 59 -11.822 -2.617 4.184 1.00 0.62 H new ATOM 0 HA SER A 59 -10.492 -2.952 6.779 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.065 -4.960 7.096 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.672 -3.367 7.505 1.00 0.92 H new ATOM 0 HG SER A 59 -14.186 -4.580 6.219 1.00 1.87 H new ATOM 885 N ILE A 60 -9.005 -4.337 5.479 1.00 0.48 N ATOM 886 CA ILE A 60 -8.059 -5.173 4.789 1.00 0.45 C ATOM 887 C ILE A 60 -7.612 -6.289 5.714 1.00 0.51 C ATOM 888 O ILE A 60 -6.941 -6.026 6.725 1.00 0.57 O ATOM 889 CB ILE A 60 -6.812 -4.368 4.336 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.227 -3.153 3.494 1.00 0.40 C ATOM 891 CG2 ILE A 60 -5.858 -5.266 3.539 1.00 0.43 C ATOM 892 CD1 ILE A 60 -6.073 -2.242 3.131 1.00 0.41 C ATOM 0 H ILE A 60 -8.585 -3.730 6.183 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.549 -5.577 3.903 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.294 -4.009 5.226 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.705 -3.502 2.579 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.973 -2.579 4.044 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.988 -4.687 3.228 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.535 -6.099 4.164 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.371 -5.651 2.658 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.442 -1.406 2.537 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.609 -1.863 4.041 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.336 -2.800 2.554 1.00 0.41 H new ATOM 904 N PRO A 61 -7.996 -7.533 5.404 1.00 0.58 N ATOM 905 CA PRO A 61 -7.600 -8.695 6.187 1.00 0.66 C ATOM 906 C PRO A 61 -6.075 -8.849 6.233 1.00 0.56 C ATOM 907 O PRO A 61 -5.397 -8.814 5.184 1.00 0.44 O ATOM 908 CB PRO A 61 -8.250 -9.885 5.464 1.00 0.78 C ATOM 909 CG PRO A 61 -8.677 -9.370 4.131 1.00 0.87 C ATOM 910 CD PRO A 61 -8.862 -7.891 4.270 1.00 0.66 C ATOM 0 HA PRO A 61 -7.918 -8.613 7.226 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.545 -10.709 5.357 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.102 -10.266 6.027 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -7.927 -9.595 3.373 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -9.605 -9.846 3.813 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.569 -7.364 3.362 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.903 -7.635 4.466 1.00 0.66 H new ATOM 918 N ASP A 62 -5.561 -9.019 7.442 1.00 0.67 N ATOM 919 CA ASP A 62 -4.122 -9.130 7.749 1.00 0.67 C ATOM 920 C ASP A 62 -3.430 -10.176 6.875 1.00 0.54 C ATOM 921 O ASP A 62 -2.322 -9.952 6.382 1.00 0.52 O ATOM 922 CB ASP A 62 -3.915 -9.506 9.232 1.00 0.90 C ATOM 923 CG ASP A 62 -4.534 -8.524 10.215 1.00 1.18 C ATOM 924 OD1 ASP A 62 -5.787 -8.446 10.309 1.00 1.29 O ATOM 925 OD2 ASP A 62 -3.773 -7.767 10.870 1.00 1.83 O ATOM 0 H ASP A 62 -6.147 -9.087 8.274 1.00 0.67 H new ATOM 0 HA ASP A 62 -3.678 -8.156 7.542 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -4.339 -10.495 9.407 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -2.846 -9.578 9.431 1.00 0.90 H new ATOM 930 N ASP A 63 -4.109 -11.289 6.635 1.00 0.56 N ATOM 931 CA ASP A 63 -3.533 -12.387 5.853 1.00 0.55 C ATOM 932 C ASP A 63 -3.337 -11.986 4.399 1.00 0.44 C ATOM 933 O ASP A 63 -2.314 -12.303 3.791 1.00 0.46 O ATOM 934 CB ASP A 63 -4.401 -13.653 5.938 1.00 0.75 C ATOM 935 CG ASP A 63 -3.827 -14.798 5.123 1.00 1.54 C ATOM 936 OD1 ASP A 63 -2.838 -15.423 5.561 1.00 1.84 O ATOM 937 OD2 ASP A 63 -4.338 -15.089 4.032 1.00 2.34 O ATOM 0 H ASP A 63 -5.058 -11.461 6.967 1.00 0.56 H new ATOM 0 HA ASP A 63 -2.557 -12.610 6.285 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -4.491 -13.960 6.980 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.407 -13.426 5.584 1.00 0.75 H new ATOM 942 N VAL A 64 -4.284 -11.247 3.866 1.00 0.41 N ATOM 943 CA VAL A 64 -4.206 -10.787 2.490 1.00 0.40 C ATOM 944 C VAL A 64 -3.189 -9.642 2.402 1.00 0.34 C ATOM 945 O VAL A 64 -2.395 -9.569 1.461 1.00 0.41 O ATOM 946 CB VAL A 64 -5.597 -10.334 1.959 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.511 -9.875 0.507 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.605 -11.471 2.085 1.00 0.66 C ATOM 0 H VAL A 64 -5.123 -10.948 4.364 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.879 -11.615 1.860 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.928 -9.490 2.564 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.498 -9.565 0.164 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.820 -9.035 0.431 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.153 -10.696 -0.114 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.574 -11.141 1.710 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.263 -12.327 1.503 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.700 -11.759 3.132 1.00 0.66 H new ATOM 958 N ALA A 65 -3.200 -8.775 3.413 1.00 0.33 N ATOM 959 CA ALA A 65 -2.252 -7.664 3.520 1.00 0.39 C ATOM 960 C ALA A 65 -0.807 -8.172 3.538 1.00 0.41 C ATOM 961 O ALA A 65 0.080 -7.561 2.972 1.00 0.51 O ATOM 962 CB ALA A 65 -2.541 -6.831 4.763 1.00 0.46 C ATOM 0 H ALA A 65 -3.867 -8.822 4.183 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.376 -7.031 2.641 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -1.826 -6.010 4.825 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.552 -6.428 4.704 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.452 -7.458 5.650 1.00 0.46 H new ATOM 968 N GLY A 66 -0.591 -9.308 4.181 1.00 0.40 N ATOM 969 CA GLY A 66 0.728 -9.899 4.227 1.00 0.48 C ATOM 970 C GLY A 66 0.986 -10.828 3.053 1.00 0.48 C ATOM 971 O GLY A 66 2.019 -11.496 2.994 1.00 0.61 O ATOM 0 H GLY A 66 -1.312 -9.834 4.675 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.478 -9.108 4.233 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.843 -10.454 5.158 1.00 0.48 H new ATOM 975 N ARG A 67 0.045 -10.887 2.133 1.00 0.43 N ATOM 976 CA ARG A 67 0.169 -11.728 0.962 1.00 0.48 C ATOM 977 C ARG A 67 0.539 -10.909 -0.271 1.00 0.36 C ATOM 978 O ARG A 67 1.166 -11.432 -1.188 1.00 0.40 O ATOM 979 CB ARG A 67 -1.130 -12.525 0.718 1.00 0.64 C ATOM 980 CG ARG A 67 -1.156 -13.431 -0.531 1.00 1.16 C ATOM 981 CD ARG A 67 -0.103 -14.552 -0.505 1.00 1.45 C ATOM 982 NE ARG A 67 1.276 -14.069 -0.673 1.00 2.16 N ATOM 983 CZ ARG A 67 2.385 -14.813 -0.555 1.00 3.05 C ATOM 984 NH1 ARG A 67 2.298 -16.122 -0.336 1.00 3.43 N ATOM 985 NH2 ARG A 67 3.577 -14.232 -0.675 1.00 3.98 N ATOM 0 H ARG A 67 -0.824 -10.355 2.176 1.00 0.43 H new ATOM 0 HA ARG A 67 0.976 -12.437 1.147 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.319 -13.145 1.594 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.956 -11.817 0.644 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -2.146 -13.877 -0.625 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -0.998 -12.817 -1.418 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -0.179 -15.088 0.441 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -0.327 -15.268 -1.296 1.00 1.45 H new ATOM 0 HE ARG A 67 1.399 -13.082 -0.899 1.00 2.16 H new ATOM 0 HH11 ARG A 67 1.383 -16.566 -0.257 1.00 3.43 H new ATOM 0 HH12 ARG A 67 3.146 -16.682 -0.247 1.00 3.43 H new ATOM 0 HH21 ARG A 67 3.640 -13.230 -0.855 1.00 3.98 H new ATOM 0 HH22 ARG A 67 4.427 -14.789 -0.587 1.00 3.98 H new ATOM 999 N VAL A 68 0.205 -9.637 -0.273 1.00 0.33 N ATOM 1000 CA VAL A 68 0.487 -8.796 -1.426 1.00 0.34 C ATOM 1001 C VAL A 68 1.989 -8.506 -1.506 1.00 0.35 C ATOM 1002 O VAL A 68 2.552 -7.801 -0.687 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.368 -7.477 -1.429 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.837 -7.803 -1.653 1.00 0.38 C ATOM 1005 CG2 VAL A 68 -0.217 -6.691 -0.132 1.00 0.41 C ATOM 0 H VAL A 68 -0.258 -9.161 0.501 1.00 0.33 H new ATOM 0 HA VAL A 68 0.192 -9.342 -2.322 1.00 0.34 H new ATOM 0 HB VAL A 68 0.004 -6.856 -2.244 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.418 -6.881 -1.653 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.956 -8.307 -2.612 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -2.191 -8.455 -0.854 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.826 -5.788 -0.181 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.546 -7.306 0.706 1.00 0.41 H new ATOM 0 HG23 VAL A 68 0.829 -6.416 0.007 1.00 0.41 H new ATOM 1015 N ASP A 69 2.628 -9.171 -2.442 1.00 0.36 N ATOM 1016 CA ASP A 69 4.092 -9.095 -2.633 1.00 0.40 C ATOM 1017 C ASP A 69 4.454 -7.949 -3.537 1.00 0.32 C ATOM 1018 O ASP A 69 5.551 -7.386 -3.458 1.00 0.32 O ATOM 1019 CB ASP A 69 4.593 -10.429 -3.220 1.00 0.57 C ATOM 1020 CG ASP A 69 6.093 -10.520 -3.479 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.891 -10.370 -2.541 1.00 1.27 O ATOM 1022 OD2 ASP A 69 6.488 -10.840 -4.626 1.00 1.91 O ATOM 0 H ASP A 69 2.160 -9.789 -3.105 1.00 0.36 H new ATOM 0 HA ASP A 69 4.571 -8.920 -1.670 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.312 -11.232 -2.539 1.00 0.57 H new ATOM 0 HB3 ASP A 69 4.070 -10.610 -4.159 1.00 0.57 H new ATOM 1027 N THR A 70 3.524 -7.561 -4.352 1.00 0.32 N ATOM 1028 CA THR A 70 3.751 -6.515 -5.282 1.00 0.31 C ATOM 1029 C THR A 70 2.721 -5.404 -5.106 1.00 0.27 C ATOM 1030 O THR A 70 1.536 -5.671 -4.848 1.00 0.29 O ATOM 1031 CB THR A 70 3.740 -7.064 -6.717 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.558 -7.833 -6.939 1.00 0.45 O ATOM 1033 CG2 THR A 70 4.950 -7.933 -6.953 1.00 0.47 C ATOM 0 H THR A 70 2.588 -7.964 -4.387 1.00 0.32 H new ATOM 0 HA THR A 70 4.735 -6.087 -5.092 1.00 0.31 H new ATOM 0 HB THR A 70 3.761 -6.222 -7.409 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.559 -8.177 -7.857 1.00 0.45 H new ATOM 0 HG21 THR A 70 4.930 -8.315 -7.973 1.00 0.47 H new ATOM 0 HG22 THR A 70 5.855 -7.344 -6.804 1.00 0.47 H new ATOM 0 HG23 THR A 70 4.941 -8.768 -6.252 1.00 0.47 H new ATOM 1041 N PRO A 71 3.168 -4.139 -5.191 1.00 0.25 N ATOM 1042 CA PRO A 71 2.306 -2.962 -5.055 1.00 0.24 C ATOM 1043 C PRO A 71 1.134 -2.979 -6.013 1.00 0.21 C ATOM 1044 O PRO A 71 0.065 -2.501 -5.676 1.00 0.25 O ATOM 1045 CB PRO A 71 3.240 -1.798 -5.355 1.00 0.29 C ATOM 1046 CG PRO A 71 4.579 -2.310 -4.994 1.00 0.32 C ATOM 1047 CD PRO A 71 4.575 -3.754 -5.379 1.00 0.30 C ATOM 0 HA PRO A 71 1.848 -2.909 -4.067 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.193 -1.509 -6.405 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.979 -0.916 -4.770 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.362 -1.766 -5.522 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.770 -2.189 -3.928 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.899 -3.898 -6.410 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.243 -4.342 -4.749 1.00 0.30 H new ATOM 1055 N ARG A 72 1.348 -3.526 -7.206 1.00 0.22 N ATOM 1056 CA ARG A 72 0.277 -3.698 -8.195 1.00 0.26 C ATOM 1057 C ARG A 72 -0.949 -4.415 -7.598 1.00 0.25 C ATOM 1058 O ARG A 72 -2.081 -3.957 -7.764 1.00 0.29 O ATOM 1059 CB ARG A 72 0.795 -4.396 -9.464 1.00 0.40 C ATOM 1060 CG ARG A 72 1.616 -5.653 -9.215 1.00 0.92 C ATOM 1061 CD ARG A 72 2.106 -6.279 -10.511 1.00 0.95 C ATOM 1062 NE ARG A 72 2.804 -5.313 -11.366 1.00 0.67 N ATOM 1063 CZ ARG A 72 4.062 -5.411 -11.820 1.00 0.93 C ATOM 1064 NH1 ARG A 72 4.880 -6.379 -11.405 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.487 -4.514 -12.681 1.00 1.29 N ATOM 0 H ARG A 72 2.259 -3.862 -7.517 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.059 -2.703 -8.488 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.057 -4.655 -10.092 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.403 -3.688 -10.028 1.00 0.40 H new ATOM 0 HG2 ARG A 72 2.471 -5.409 -8.584 1.00 0.92 H new ATOM 0 HG3 ARG A 72 1.013 -6.377 -8.668 1.00 0.92 H new ATOM 0 HD2 ARG A 72 2.776 -7.108 -10.281 1.00 0.95 H new ATOM 0 HD3 ARG A 72 1.258 -6.696 -11.054 1.00 0.95 H new ATOM 0 HE ARG A 72 2.280 -4.483 -11.643 1.00 0.67 H new ATOM 0 HH11 ARG A 72 4.553 -7.067 -10.727 1.00 1.48 H new ATOM 0 HH12 ARG A 72 5.833 -6.431 -11.766 1.00 1.48 H new ATOM 0 HH21 ARG A 72 3.864 -3.767 -12.988 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.439 -4.565 -13.042 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.693 -5.491 -6.851 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.739 -6.269 -6.188 1.00 0.28 C ATOM 1081 C GLU A 73 -2.441 -5.429 -5.140 1.00 0.26 C ATOM 1082 O GLU A 73 -3.657 -5.387 -5.073 1.00 0.28 O ATOM 1083 CB GLU A 73 -1.121 -7.484 -5.502 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.524 -8.499 -6.443 1.00 0.44 C ATOM 1085 CD GLU A 73 -1.565 -9.201 -7.255 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -2.150 -10.180 -6.779 1.00 1.24 O ATOM 1087 OE2 GLU A 73 -1.817 -8.773 -8.398 1.00 2.13 O ATOM 0 H GLU A 73 0.249 -5.848 -6.689 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.459 -6.587 -6.942 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.345 -7.143 -4.817 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.886 -7.973 -4.899 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.180 -8.002 -7.110 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.043 -9.233 -5.870 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.648 -4.725 -4.358 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.141 -3.936 -3.237 1.00 0.28 C ATOM 1096 C LEU A 74 -2.987 -2.762 -3.756 1.00 0.26 C ATOM 1097 O LEU A 74 -4.089 -2.504 -3.247 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.924 -3.453 -2.400 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.166 -2.917 -0.965 1.00 0.31 C ATOM 1100 CD1 LEU A 74 0.149 -2.682 -0.284 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -1.950 -1.632 -0.961 1.00 0.90 C ATOM 0 H LEU A 74 -0.636 -4.681 -4.480 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.785 -4.537 -2.596 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.223 -4.285 -2.327 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.426 -2.666 -2.966 1.00 0.31 H new ATOM 0 HG LEU A 74 -1.747 -3.671 -0.434 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -0.025 -2.305 0.724 1.00 0.81 H new ATOM 0 HD12 LEU A 74 0.704 -3.619 -0.230 1.00 0.81 H new ATOM 0 HD13 LEU A 74 0.726 -1.951 -0.850 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.094 -1.297 0.066 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -1.404 -0.871 -1.518 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -2.921 -1.797 -1.428 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.473 -2.070 -4.765 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.160 -0.943 -5.377 1.00 0.23 C ATOM 1115 C LEU A 75 -4.525 -1.387 -5.890 1.00 0.24 C ATOM 1116 O LEU A 75 -5.550 -0.724 -5.637 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.328 -0.365 -6.527 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.848 0.939 -7.124 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.797 2.041 -6.086 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.053 1.326 -8.360 1.00 0.34 C ATOM 0 H LEU A 75 -1.565 -2.276 -5.182 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.295 -0.166 -4.625 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.311 -0.201 -6.170 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.270 -1.110 -7.321 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.884 0.792 -7.428 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.170 2.968 -6.521 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.416 1.766 -5.232 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.768 2.183 -5.757 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.444 2.259 -8.766 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.005 1.458 -8.092 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.140 0.539 -9.109 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.529 -2.527 -6.574 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.749 -3.125 -7.107 1.00 0.25 C ATOM 1134 C ASP A 76 -6.692 -3.504 -5.981 1.00 0.27 C ATOM 1135 O ASP A 76 -7.886 -3.228 -6.048 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.426 -4.370 -7.950 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.671 -5.114 -8.413 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.252 -4.749 -9.454 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -7.086 -6.073 -7.753 1.00 0.57 O ATOM 0 H ASP A 76 -3.685 -3.063 -6.775 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.232 -2.385 -7.744 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.843 -4.071 -8.821 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.802 -5.046 -7.366 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.132 -4.090 -4.935 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.883 -4.566 -3.780 1.00 0.36 C ATOM 1146 C LEU A 77 -7.683 -3.437 -3.135 1.00 0.34 C ATOM 1147 O LEU A 77 -8.894 -3.553 -2.966 1.00 0.38 O ATOM 1148 CB LEU A 77 -5.922 -5.182 -2.749 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.545 -5.744 -1.469 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.442 -6.933 -1.776 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -5.462 -6.124 -0.472 1.00 1.96 C ATOM 0 H LEU A 77 -5.128 -4.252 -4.862 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.586 -5.325 -4.123 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.370 -5.985 -3.238 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.195 -4.421 -2.466 1.00 0.47 H new ATOM 0 HG LEU A 77 -7.164 -4.967 -1.022 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -7.872 -7.313 -0.849 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -8.243 -6.621 -2.446 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -6.855 -7.718 -2.253 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -5.923 -6.522 0.432 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -4.812 -6.881 -0.911 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -4.873 -5.242 -0.221 1.00 1.96 H new ATOM 1163 N ILE A 78 -7.024 -2.330 -2.821 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.714 -1.226 -2.166 1.00 0.34 C ATOM 1165 C ILE A 78 -8.718 -0.584 -3.113 1.00 0.31 C ATOM 1166 O ILE A 78 -9.857 -0.370 -2.737 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.743 -0.161 -1.592 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.714 -0.857 -0.689 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.530 0.884 -0.789 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.752 0.074 0.009 1.00 0.55 C ATOM 0 H ILE A 78 -6.033 -2.173 -3.004 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.247 -1.651 -1.316 1.00 0.34 H new ATOM 0 HB ILE A 78 -6.227 0.344 -2.408 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.246 -1.438 0.064 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.142 -1.563 -1.291 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.842 1.629 -0.389 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -8.255 1.372 -1.440 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -8.052 0.394 0.033 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -4.064 -0.507 0.623 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -4.187 0.638 -0.734 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -5.309 0.765 0.642 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.297 -0.314 -4.351 1.00 0.29 N ATOM 1183 CA ASN A 79 -9.205 0.264 -5.371 1.00 0.31 C ATOM 1184 C ASN A 79 -10.446 -0.621 -5.552 1.00 0.32 C ATOM 1185 O ASN A 79 -11.568 -0.120 -5.624 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.490 0.456 -6.746 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.691 1.764 -6.908 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -8.208 2.762 -7.387 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.440 1.767 -6.532 1.00 0.52 N ATOM 0 H ASN A 79 -7.346 -0.481 -4.679 1.00 0.29 H new ATOM 0 HA ASN A 79 -9.510 1.246 -5.009 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.813 -0.383 -6.903 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -9.241 0.411 -7.535 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.878 2.612 -6.636 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.025 0.924 -6.134 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.235 -1.924 -5.590 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.319 -2.876 -5.754 1.00 0.42 C ATOM 1198 C GLY A 80 -12.239 -2.926 -4.549 1.00 0.45 C ATOM 1199 O GLY A 80 -13.462 -2.845 -4.693 1.00 0.53 O ATOM 0 H GLY A 80 -9.312 -2.351 -5.509 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -11.899 -2.612 -6.638 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -10.903 -3.868 -5.930 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.654 -2.991 -3.362 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.424 -3.068 -2.129 1.00 0.52 C ATOM 1205 C ALA A 81 -13.184 -1.770 -1.891 1.00 0.51 C ATOM 1206 O ALA A 81 -14.315 -1.784 -1.408 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.515 -3.382 -0.945 1.00 0.59 C ATOM 0 H ALA A 81 -10.643 -2.992 -3.226 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.148 -3.877 -2.228 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -12.110 -3.435 -0.033 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.019 -4.338 -1.111 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.765 -2.597 -0.844 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.574 -0.658 -2.256 1.00 0.48 N ATOM 1214 CA LEU A 82 -13.208 0.639 -2.146 1.00 0.56 C ATOM 1215 C LEU A 82 -14.356 0.777 -3.143 1.00 0.59 C ATOM 1216 O LEU A 82 -15.414 1.327 -2.814 1.00 0.75 O ATOM 1217 CB LEU A 82 -12.172 1.760 -2.323 1.00 0.63 C ATOM 1218 CG LEU A 82 -11.218 2.001 -1.140 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -10.277 3.159 -1.431 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -11.999 2.264 0.138 1.00 1.10 C ATOM 0 H LEU A 82 -11.628 -0.630 -2.636 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.634 0.729 -1.147 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -11.573 1.535 -3.205 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -12.705 2.689 -2.527 1.00 0.63 H new ATOM 0 HG LEU A 82 -10.622 1.099 -1.001 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -9.612 3.310 -0.580 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -9.685 2.933 -2.318 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -10.858 4.065 -1.603 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -11.304 2.432 0.961 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -12.625 3.146 0.007 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -12.628 1.403 0.364 1.00 1.10 H new ATOM 1232 N ALA A 83 -14.153 0.258 -4.346 1.00 0.57 N ATOM 1233 CA ALA A 83 -15.173 0.272 -5.385 1.00 0.67 C ATOM 1234 C ALA A 83 -16.382 -0.550 -4.962 1.00 0.72 C ATOM 1235 O ALA A 83 -17.517 -0.129 -5.128 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.612 -0.242 -6.697 1.00 0.76 C ATOM 0 H ALA A 83 -13.278 -0.184 -4.629 1.00 0.57 H new ATOM 0 HA ALA A 83 -15.493 1.303 -5.532 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.392 -0.223 -7.459 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.782 0.391 -7.011 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.258 -1.265 -6.566 1.00 0.76 H new ATOM 1242 N GLU A 84 -16.121 -1.703 -4.373 1.00 0.77 N ATOM 1243 CA GLU A 84 -17.175 -2.589 -3.908 1.00 0.95 C ATOM 1244 C GLU A 84 -17.682 -2.232 -2.514 1.00 1.08 C ATOM 1245 O GLU A 84 -18.397 -3.015 -1.883 1.00 1.35 O ATOM 1246 CB GLU A 84 -16.740 -4.049 -3.980 1.00 1.11 C ATOM 1247 CG GLU A 84 -16.687 -4.592 -5.395 1.00 1.33 C ATOM 1248 CD GLU A 84 -18.043 -4.547 -6.070 1.00 1.89 C ATOM 1249 OE1 GLU A 84 -18.928 -5.345 -5.716 1.00 2.24 O ATOM 1250 OE2 GLU A 84 -18.253 -3.697 -6.960 1.00 2.44 O ATOM 0 H GLU A 84 -15.177 -2.051 -4.204 1.00 0.77 H new ATOM 0 HA GLU A 84 -18.017 -2.448 -4.586 1.00 0.95 H new ATOM 0 HB2 GLU A 84 -15.756 -4.150 -3.523 1.00 1.11 H new ATOM 0 HB3 GLU A 84 -17.429 -4.655 -3.392 1.00 1.11 H new ATOM 0 HG2 GLU A 84 -15.972 -4.013 -5.979 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.325 -5.620 -5.376 1.00 1.33 H new ATOM 1257 N ALA A 85 -17.334 -1.061 -2.035 1.00 1.14 N ATOM 1258 CA ALA A 85 -17.876 -0.585 -0.792 1.00 1.38 C ATOM 1259 C ALA A 85 -19.131 0.209 -1.102 1.00 1.73 C ATOM 1260 O ALA A 85 -19.132 1.448 -1.107 1.00 2.12 O ATOM 1261 CB ALA A 85 -16.863 0.251 -0.013 1.00 1.46 C ATOM 0 H ALA A 85 -16.679 -0.424 -2.489 1.00 1.14 H new ATOM 0 HA ALA A 85 -18.120 -1.432 -0.151 1.00 1.38 H new ATOM 0 HB1 ALA A 85 -17.313 0.591 0.920 1.00 1.46 H new ATOM 0 HB2 ALA A 85 -15.984 -0.355 0.208 1.00 1.46 H new ATOM 0 HB3 ALA A 85 -16.568 1.114 -0.610 1.00 1.46 H new ATOM 1267 N ALA A 86 -20.173 -0.503 -1.455 1.00 2.21 N ATOM 1268 CA ALA A 86 -21.405 0.101 -1.848 1.00 2.74 C ATOM 1269 C ALA A 86 -22.554 -0.526 -1.094 1.00 3.28 C ATOM 1270 O ALA A 86 -22.863 -0.059 0.014 1.00 3.60 O ATOM 1271 CB ALA A 86 -21.597 -0.024 -3.358 1.00 3.25 C ATOM 1272 OXT ALA A 86 -23.160 -1.493 -1.597 1.00 3.84 O ATOM 0 H ALA A 86 -20.182 -1.523 -1.475 1.00 2.21 H new ATOM 0 HA ALA A 86 -21.378 1.162 -1.601 1.00 2.74 H new ATOM 0 HB1 ALA A 86 -22.540 0.441 -3.645 1.00 3.25 H new ATOM 0 HB2 ALA A 86 -20.776 0.476 -3.872 1.00 3.25 H new ATOM 0 HB3 ALA A 86 -21.612 -1.078 -3.637 1.00 3.25 H new TER 1278 ALA A 86