USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 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 Single : A 6 THR OG1 : rot -67:sc= 1.27 USER MOD Single : A 7 THR OG1 : rot -145:sc= 1.2 USER MOD Single : A 17 SER OG : rot 93:sc= -1.94! USER MOD Single : A 40 TYR OH : rot -138:sc= 0.121 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 165:sc= -0.124 (180deg=-0.572) USER MOD Single : A 48 THR OG1 : rot 67:sc= 1.15 USER MOD Single : A 54 SER OG : rot 6:sc= 0.92 USER MOD Single : A 56 TYR OH : rot 165:sc= -0.0159 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 79 ASN : amide:sc= -1.64 K(o=-1.6,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -9.325 7.514 -4.566 1.00 0.89 N ATOM 45 CA LEU A 4 -8.680 6.327 -4.965 1.00 0.69 C ATOM 46 C LEU A 4 -7.168 6.484 -4.796 1.00 0.63 C ATOM 47 O LEU A 4 -6.631 7.600 -4.829 1.00 0.87 O ATOM 48 CB LEU A 4 -8.999 6.048 -6.419 1.00 0.83 C ATOM 49 CG LEU A 4 -8.708 4.645 -6.874 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.734 3.673 -6.306 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.605 4.549 -8.385 1.00 1.51 C ATOM 0 HA LEU A 4 -9.028 5.498 -4.348 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.055 6.258 -6.591 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.431 6.741 -7.040 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.731 4.362 -6.483 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.506 2.663 -6.647 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.701 3.705 -5.217 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.730 3.955 -6.647 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.394 3.518 -8.671 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.546 4.865 -8.835 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -7.800 5.195 -8.737 1.00 1.51 H new ATOM 63 N LEU A 5 -6.506 5.394 -4.622 1.00 0.49 N ATOM 64 CA LEU A 5 -5.093 5.373 -4.449 1.00 0.44 C ATOM 65 C LEU A 5 -4.441 4.945 -5.734 1.00 0.39 C ATOM 66 O LEU A 5 -4.806 3.918 -6.288 1.00 0.42 O ATOM 67 CB LEU A 5 -4.726 4.365 -3.366 1.00 0.47 C ATOM 68 CG LEU A 5 -5.238 4.644 -1.958 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.884 3.487 -1.047 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.640 5.934 -1.422 1.00 0.79 C ATOM 0 H LEU A 5 -6.940 4.471 -4.595 1.00 0.49 H new ATOM 0 HA LEU A 5 -4.753 6.369 -4.165 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.097 3.387 -3.674 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.639 4.295 -3.323 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.322 4.754 -1.992 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.252 3.690 -0.041 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.344 2.573 -1.424 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.801 3.364 -1.019 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.016 6.119 -0.416 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.554 5.847 -1.393 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -4.921 6.763 -2.072 1.00 0.79 H new ATOM 82 N THR A 6 -3.550 5.739 -6.234 1.00 0.38 N ATOM 83 CA THR A 6 -2.753 5.345 -7.355 1.00 0.40 C ATOM 84 C THR A 6 -1.354 4.998 -6.834 1.00 0.34 C ATOM 85 O THR A 6 -1.169 4.940 -5.608 1.00 0.30 O ATOM 86 CB THR A 6 -2.693 6.444 -8.444 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.126 7.662 -7.904 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.082 6.733 -8.992 1.00 0.63 C ATOM 0 H THR A 6 -3.353 6.675 -5.880 1.00 0.38 H new ATOM 0 HA THR A 6 -3.204 4.477 -7.836 1.00 0.40 H new ATOM 0 HB THR A 6 -2.060 6.081 -9.253 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.739 8.042 -7.240 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.018 7.508 -9.756 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.496 5.825 -9.430 1.00 0.63 H new ATOM 0 HG23 THR A 6 -4.729 7.073 -8.183 1.00 0.63 H new ATOM 96 N THR A 7 -0.390 4.783 -7.719 1.00 0.37 N ATOM 97 CA THR A 7 0.989 4.495 -7.325 1.00 0.37 C ATOM 98 C THR A 7 1.524 5.618 -6.420 1.00 0.35 C ATOM 99 O THR A 7 2.071 5.363 -5.336 1.00 0.34 O ATOM 100 CB THR A 7 1.896 4.384 -8.570 1.00 0.48 C ATOM 101 OG1 THR A 7 1.330 3.452 -9.513 1.00 0.61 O ATOM 102 CG2 THR A 7 3.277 3.894 -8.162 1.00 0.56 C ATOM 0 H THR A 7 -0.538 4.802 -8.728 1.00 0.37 H new ATOM 0 HA THR A 7 0.997 3.548 -6.785 1.00 0.37 H new ATOM 0 HB THR A 7 1.975 5.368 -9.031 1.00 0.48 H new ATOM 0 HG1 THR A 7 2.051 2.965 -9.964 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.912 3.818 -9.045 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.719 4.598 -7.457 1.00 0.56 H new ATOM 0 HG23 THR A 7 3.191 2.915 -7.691 1.00 0.56 H new ATOM 110 N ASP A 8 1.338 6.848 -6.886 1.00 0.43 N ATOM 111 CA ASP A 8 1.813 8.057 -6.205 1.00 0.50 C ATOM 112 C ASP A 8 1.217 8.141 -4.794 1.00 0.44 C ATOM 113 O ASP A 8 1.916 8.415 -3.818 1.00 0.46 O ATOM 114 CB ASP A 8 1.404 9.296 -7.024 1.00 0.67 C ATOM 115 CG ASP A 8 2.196 10.537 -6.681 1.00 1.08 C ATOM 116 OD1 ASP A 8 1.811 11.308 -5.792 1.00 1.65 O ATOM 117 OD2 ASP A 8 3.258 10.764 -7.308 1.00 1.26 O ATOM 0 H ASP A 8 0.847 7.041 -7.759 1.00 0.43 H new ATOM 0 HA ASP A 8 2.899 8.018 -6.120 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.529 9.077 -8.085 1.00 0.67 H new ATOM 0 HB3 ASP A 8 0.345 9.495 -6.862 1.00 0.67 H new ATOM 122 N ASP A 9 -0.069 7.844 -4.698 1.00 0.42 N ATOM 123 CA ASP A 9 -0.794 7.873 -3.417 1.00 0.42 C ATOM 124 C ASP A 9 -0.310 6.768 -2.499 1.00 0.40 C ATOM 125 O ASP A 9 -0.097 6.982 -1.291 1.00 0.45 O ATOM 126 CB ASP A 9 -2.299 7.670 -3.613 1.00 0.46 C ATOM 127 CG ASP A 9 -2.958 8.677 -4.502 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.224 9.794 -4.037 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.187 8.396 -5.681 1.00 1.41 O ATOM 0 H ASP A 9 -0.646 7.576 -5.495 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.604 8.853 -2.980 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.466 6.676 -4.027 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -2.785 7.694 -2.637 1.00 0.46 H new ATOM 134 N LEU A 10 -0.131 5.589 -3.082 1.00 0.37 N ATOM 135 CA LEU A 10 0.237 4.388 -2.352 1.00 0.36 C ATOM 136 C LEU A 10 1.627 4.549 -1.755 1.00 0.36 C ATOM 137 O LEU A 10 1.884 4.112 -0.627 1.00 0.41 O ATOM 138 CB LEU A 10 0.216 3.181 -3.294 1.00 0.35 C ATOM 139 CG LEU A 10 0.127 1.821 -2.622 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.238 1.664 -1.965 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.386 0.705 -3.620 1.00 0.37 C ATOM 0 H LEU A 10 -0.239 5.441 -4.085 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.481 4.228 -1.547 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.631 3.287 -3.971 1.00 0.35 H new ATOM 0 HB3 LEU A 10 1.118 3.205 -3.906 1.00 0.35 H new ATOM 0 HG LEU A 10 0.896 1.755 -1.852 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.300 0.688 -1.484 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.375 2.446 -1.218 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.018 1.745 -2.722 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.317 -0.258 -3.115 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.356 0.751 -4.417 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.383 0.821 -4.045 1.00 0.37 H new ATOM 153 N ARG A 11 2.506 5.196 -2.526 1.00 0.36 N ATOM 154 CA ARG A 11 3.867 5.510 -2.111 1.00 0.38 C ATOM 155 C ARG A 11 3.862 6.196 -0.759 1.00 0.39 C ATOM 156 O ARG A 11 4.541 5.758 0.164 1.00 0.41 O ATOM 157 CB ARG A 11 4.519 6.448 -3.122 1.00 0.42 C ATOM 158 CG ARG A 11 5.925 6.905 -2.743 1.00 0.52 C ATOM 159 CD ARG A 11 6.364 8.066 -3.607 1.00 0.71 C ATOM 160 NE ARG A 11 5.487 9.230 -3.412 1.00 1.21 N ATOM 161 CZ ARG A 11 4.794 9.837 -4.378 1.00 1.60 C ATOM 162 NH1 ARG A 11 4.926 9.444 -5.646 1.00 1.92 N ATOM 163 NH2 ARG A 11 3.978 10.843 -4.076 1.00 2.46 N ATOM 0 H ARG A 11 2.284 5.519 -3.468 1.00 0.36 H new ATOM 0 HA ARG A 11 4.426 4.576 -2.050 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.561 5.947 -4.089 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.886 7.326 -3.245 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.946 7.199 -1.693 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.624 6.077 -2.856 1.00 0.52 H new ATOM 0 HD2 ARG A 11 7.392 8.336 -3.364 1.00 0.71 H new ATOM 0 HD3 ARG A 11 6.352 7.769 -4.656 1.00 0.71 H new ATOM 0 HE ARG A 11 5.402 9.602 -2.466 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.558 8.678 -5.879 1.00 1.92 H new ATOM 0 HH12 ARG A 11 4.395 9.910 -6.382 1.00 1.92 H new ATOM 0 HH21 ARG A 11 3.883 11.149 -3.108 1.00 2.46 H new ATOM 0 HH22 ARG A 11 3.448 11.308 -4.813 1.00 2.46 H new ATOM 177 N ARG A 12 3.067 7.268 -0.647 1.00 0.42 N ATOM 178 CA ARG A 12 3.016 8.050 0.577 1.00 0.47 C ATOM 179 C ARG A 12 2.625 7.202 1.779 1.00 0.43 C ATOM 180 O ARG A 12 3.246 7.298 2.818 1.00 0.48 O ATOM 181 CB ARG A 12 2.092 9.265 0.478 1.00 0.60 C ATOM 182 CG ARG A 12 2.132 10.081 1.755 1.00 1.18 C ATOM 183 CD ARG A 12 1.174 11.239 1.778 1.00 1.47 C ATOM 184 NE ARG A 12 1.276 11.942 3.064 1.00 2.25 N ATOM 185 CZ ARG A 12 0.541 12.993 3.440 1.00 2.83 C ATOM 186 NH1 ARG A 12 -0.408 13.478 2.654 1.00 2.60 N ATOM 187 NH2 ARG A 12 0.753 13.564 4.611 1.00 3.93 N ATOM 0 H ARG A 12 2.456 7.606 -1.390 1.00 0.42 H new ATOM 0 HA ARG A 12 4.031 8.420 0.721 1.00 0.47 H new ATOM 0 HB2 ARG A 12 2.392 9.887 -0.365 1.00 0.60 H new ATOM 0 HB3 ARG A 12 1.071 8.936 0.284 1.00 0.60 H new ATOM 0 HG2 ARG A 12 1.913 9.426 2.598 1.00 1.18 H new ATOM 0 HG3 ARG A 12 3.144 10.459 1.900 1.00 1.18 H new ATOM 0 HD2 ARG A 12 1.397 11.924 0.960 1.00 1.47 H new ATOM 0 HD3 ARG A 12 0.155 10.883 1.627 1.00 1.47 H new ATOM 0 HE ARG A 12 1.969 11.598 3.729 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -0.587 13.049 1.746 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -0.960 14.281 2.956 1.00 2.60 H new ATOM 0 HH21 ARG A 12 1.479 13.203 5.230 1.00 3.93 H new ATOM 0 HH22 ARG A 12 0.191 14.366 4.896 1.00 3.93 H new ATOM 201 N ALA A 13 1.639 6.333 1.601 1.00 0.40 N ATOM 202 CA ALA A 13 1.128 5.503 2.694 1.00 0.42 C ATOM 203 C ALA A 13 2.226 4.607 3.246 1.00 0.41 C ATOM 204 O ALA A 13 2.325 4.408 4.463 1.00 0.50 O ATOM 205 CB ALA A 13 -0.042 4.673 2.210 1.00 0.45 C ATOM 0 H ALA A 13 1.172 6.181 0.707 1.00 0.40 H new ATOM 0 HA ALA A 13 0.787 6.155 3.498 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.416 4.059 3.029 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.836 5.333 1.860 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.282 4.029 1.392 1.00 0.45 H new ATOM 211 N LEU A 14 3.060 4.103 2.358 1.00 0.38 N ATOM 212 CA LEU A 14 4.195 3.285 2.747 1.00 0.46 C ATOM 213 C LEU A 14 5.200 4.121 3.542 1.00 0.54 C ATOM 214 O LEU A 14 5.734 3.667 4.558 1.00 0.69 O ATOM 215 CB LEU A 14 4.861 2.679 1.510 1.00 0.48 C ATOM 216 CG LEU A 14 4.034 1.666 0.718 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.758 1.292 -0.545 1.00 1.21 C ATOM 218 CD2 LEU A 14 3.787 0.416 1.543 1.00 1.44 C ATOM 0 H LEU A 14 2.972 4.247 1.352 1.00 0.38 H new ATOM 0 HA LEU A 14 3.841 2.472 3.381 1.00 0.46 H new ATOM 0 HB2 LEU A 14 5.139 3.492 0.839 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.786 2.194 1.823 1.00 0.48 H new ATOM 0 HG LEU A 14 3.076 2.123 0.471 1.00 0.54 H new ATOM 0 HD11 LEU A 14 4.164 0.570 -1.105 1.00 1.21 H new ATOM 0 HD12 LEU A 14 4.913 2.183 -1.153 1.00 1.21 H new ATOM 0 HD13 LEU A 14 5.723 0.851 -0.294 1.00 1.21 H new ATOM 0 HD21 LEU A 14 3.197 -0.293 0.962 1.00 1.44 H new ATOM 0 HD22 LEU A 14 4.741 -0.039 1.809 1.00 1.44 H new ATOM 0 HD23 LEU A 14 3.245 0.681 2.451 1.00 1.44 H new ATOM 230 N VAL A 15 5.426 5.349 3.083 1.00 0.53 N ATOM 231 CA VAL A 15 6.345 6.296 3.734 1.00 0.63 C ATOM 232 C VAL A 15 5.861 6.608 5.155 1.00 0.66 C ATOM 233 O VAL A 15 6.625 6.500 6.126 1.00 0.80 O ATOM 234 CB VAL A 15 6.443 7.628 2.925 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.402 8.609 3.585 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.881 7.364 1.499 1.00 0.71 C ATOM 0 H VAL A 15 4.978 5.723 2.246 1.00 0.53 H new ATOM 0 HA VAL A 15 7.331 5.832 3.772 1.00 0.63 H new ATOM 0 HB VAL A 15 5.448 8.073 2.913 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.447 9.525 2.997 1.00 0.76 H new ATOM 0 HG12 VAL A 15 7.051 8.840 4.591 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.396 8.165 3.641 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.942 8.307 0.956 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.859 6.884 1.502 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.158 6.711 1.011 1.00 0.71 H new ATOM 246 N GLU A 16 4.581 6.957 5.266 1.00 0.62 N ATOM 247 CA GLU A 16 3.954 7.315 6.542 1.00 0.71 C ATOM 248 C GLU A 16 4.106 6.161 7.538 1.00 0.74 C ATOM 249 O GLU A 16 4.508 6.353 8.695 1.00 0.89 O ATOM 250 CB GLU A 16 2.446 7.546 6.337 1.00 0.79 C ATOM 251 CG GLU A 16 2.057 8.560 5.269 1.00 0.87 C ATOM 252 CD GLU A 16 2.452 9.977 5.573 1.00 1.20 C ATOM 253 OE1 GLU A 16 2.013 10.526 6.587 1.00 1.38 O ATOM 254 OE2 GLU A 16 3.265 10.548 4.823 1.00 2.05 O ATOM 0 H GLU A 16 3.944 7.000 4.471 1.00 0.62 H new ATOM 0 HA GLU A 16 4.436 8.217 6.918 1.00 0.71 H new ATOM 0 HB2 GLU A 16 1.985 6.591 6.086 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.017 7.867 7.286 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.514 8.265 4.324 1.00 0.87 H new ATOM 0 HG3 GLU A 16 0.977 8.521 5.127 1.00 0.87 H new ATOM 261 N SER A 17 3.839 4.967 7.063 1.00 0.68 N ATOM 262 CA SER A 17 3.842 3.782 7.887 1.00 0.77 C ATOM 263 C SER A 17 5.257 3.316 8.240 1.00 0.89 C ATOM 264 O SER A 17 5.448 2.580 9.206 1.00 1.15 O ATOM 265 CB SER A 17 3.071 2.697 7.177 1.00 0.73 C ATOM 266 OG SER A 17 1.797 3.196 6.794 1.00 1.39 O ATOM 0 H SER A 17 3.612 4.790 6.085 1.00 0.68 H new ATOM 0 HA SER A 17 3.361 4.019 8.836 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.621 2.360 6.298 1.00 0.73 H new ATOM 0 HB3 SER A 17 2.954 1.832 7.830 1.00 0.73 H new ATOM 0 HG SER A 17 1.843 3.541 5.878 1.00 1.39 H new ATOM 400 N ASP A 29 6.876 5.340 -10.220 1.00 0.70 N ATOM 401 CA ASP A 29 6.034 4.160 -10.271 1.00 0.64 C ATOM 402 C ASP A 29 6.871 2.949 -9.950 1.00 0.55 C ATOM 403 O ASP A 29 7.809 2.621 -10.677 1.00 0.74 O ATOM 404 CB ASP A 29 5.373 4.004 -11.640 1.00 0.80 C ATOM 405 CG ASP A 29 4.475 2.791 -11.714 1.00 1.29 C ATOM 406 OD1 ASP A 29 3.338 2.856 -11.204 1.00 1.68 O ATOM 407 OD2 ASP A 29 4.869 1.775 -12.315 1.00 2.07 O ATOM 0 HA ASP A 29 5.236 4.265 -9.536 1.00 0.64 H new ATOM 0 HB2 ASP A 29 4.790 4.898 -11.862 1.00 0.80 H new ATOM 0 HB3 ASP A 29 6.145 3.928 -12.406 1.00 0.80 H new ATOM 412 N PHE A 30 6.545 2.300 -8.864 1.00 0.39 N ATOM 413 CA PHE A 30 7.341 1.194 -8.359 1.00 0.34 C ATOM 414 C PHE A 30 6.507 -0.082 -8.253 1.00 0.31 C ATOM 415 O PHE A 30 6.863 -0.993 -7.520 1.00 0.31 O ATOM 416 CB PHE A 30 7.917 1.571 -6.970 1.00 0.35 C ATOM 417 CG PHE A 30 6.876 1.776 -5.885 1.00 0.33 C ATOM 418 CD1 PHE A 30 6.127 2.943 -5.823 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.651 0.795 -4.929 1.00 0.34 C ATOM 420 CE1 PHE A 30 5.179 3.122 -4.841 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.705 0.969 -3.943 1.00 0.38 C ATOM 422 CZ PHE A 30 4.966 2.138 -3.902 1.00 0.42 C ATOM 0 H PHE A 30 5.723 2.516 -8.300 1.00 0.39 H new ATOM 0 HA PHE A 30 8.156 1.003 -9.057 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.604 0.787 -6.652 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.502 2.485 -7.071 1.00 0.35 H new ATOM 0 HD1 PHE A 30 6.290 3.721 -6.555 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.226 -0.118 -4.959 1.00 0.34 H new ATOM 0 HE1 PHE A 30 4.602 4.034 -4.807 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.541 0.197 -3.206 1.00 0.38 H new ATOM 0 HZ PHE A 30 4.221 2.279 -3.133 1.00 0.42 H new ATOM 432 N LEU A 31 5.416 -0.151 -9.011 1.00 0.31 N ATOM 433 CA LEU A 31 4.477 -1.297 -8.978 1.00 0.31 C ATOM 434 C LEU A 31 5.121 -2.687 -9.169 1.00 0.31 C ATOM 435 O LEU A 31 4.515 -3.704 -8.809 1.00 0.35 O ATOM 436 CB LEU A 31 3.297 -1.114 -9.936 1.00 0.33 C ATOM 437 CG LEU A 31 2.356 0.060 -9.636 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.174 0.025 -10.568 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.871 0.015 -8.203 1.00 0.32 C ATOM 0 H LEU A 31 5.147 0.580 -9.670 1.00 0.31 H new ATOM 0 HA LEU A 31 4.105 -1.287 -7.953 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.691 -0.988 -10.944 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.710 -2.032 -9.936 1.00 0.33 H new ATOM 0 HG LEU A 31 2.913 0.985 -9.786 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.512 0.862 -10.347 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.521 0.099 -11.599 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.632 -0.911 -10.434 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.206 0.858 -8.017 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.332 -0.917 -8.030 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.725 0.071 -7.528 1.00 0.32 H new ATOM 451 N ASP A 32 6.315 -2.730 -9.721 1.00 0.31 N ATOM 452 CA ASP A 32 7.004 -3.998 -9.964 1.00 0.37 C ATOM 453 C ASP A 32 7.913 -4.362 -8.808 1.00 0.37 C ATOM 454 O ASP A 32 8.272 -5.533 -8.639 1.00 0.45 O ATOM 455 CB ASP A 32 7.840 -3.939 -11.252 1.00 0.48 C ATOM 456 CG ASP A 32 7.011 -3.760 -12.491 1.00 1.29 C ATOM 457 OD1 ASP A 32 6.743 -2.607 -12.892 1.00 1.83 O ATOM 458 OD2 ASP A 32 6.584 -4.766 -13.091 1.00 2.04 O ATOM 0 H ASP A 32 6.837 -1.904 -10.014 1.00 0.31 H new ATOM 0 HA ASP A 32 6.232 -4.760 -10.068 1.00 0.37 H new ATOM 0 HB2 ASP A 32 8.552 -3.117 -11.178 1.00 0.48 H new ATOM 0 HB3 ASP A 32 8.421 -4.857 -11.342 1.00 0.48 H new ATOM 463 N LEU A 33 8.260 -3.374 -8.008 1.00 0.35 N ATOM 464 CA LEU A 33 9.181 -3.556 -6.898 1.00 0.37 C ATOM 465 C LEU A 33 8.464 -4.156 -5.718 1.00 0.34 C ATOM 466 O LEU A 33 7.499 -3.591 -5.215 1.00 0.40 O ATOM 467 CB LEU A 33 9.880 -2.234 -6.488 1.00 0.41 C ATOM 468 CG LEU A 33 10.933 -1.648 -7.456 1.00 0.51 C ATOM 469 CD1 LEU A 33 12.032 -2.658 -7.738 1.00 1.37 C ATOM 470 CD2 LEU A 33 10.309 -1.142 -8.750 1.00 1.27 C ATOM 0 H LEU A 33 7.912 -2.420 -8.107 1.00 0.35 H new ATOM 0 HA LEU A 33 9.960 -4.240 -7.234 1.00 0.37 H new ATOM 0 HB2 LEU A 33 9.108 -1.480 -6.336 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.363 -2.395 -5.524 1.00 0.41 H new ATOM 0 HG LEU A 33 11.378 -0.785 -6.960 1.00 0.51 H new ATOM 0 HD11 LEU A 33 12.760 -2.222 -8.422 1.00 1.37 H new ATOM 0 HD12 LEU A 33 12.526 -2.928 -6.805 1.00 1.37 H new ATOM 0 HD13 LEU A 33 11.599 -3.550 -8.190 1.00 1.37 H new ATOM 0 HD21 LEU A 33 11.089 -0.740 -9.397 1.00 1.27 H new ATOM 0 HD22 LEU A 33 9.805 -1.965 -9.257 1.00 1.27 H new ATOM 0 HD23 LEU A 33 9.586 -0.359 -8.523 1.00 1.27 H new ATOM 482 N ARG A 34 8.940 -5.279 -5.275 1.00 0.33 N ATOM 483 CA ARG A 34 8.307 -5.994 -4.195 1.00 0.34 C ATOM 484 C ARG A 34 8.655 -5.338 -2.870 1.00 0.29 C ATOM 485 O ARG A 34 9.773 -4.851 -2.692 1.00 0.34 O ATOM 486 CB ARG A 34 8.745 -7.445 -4.179 1.00 0.47 C ATOM 487 CG ARG A 34 8.589 -8.163 -5.508 1.00 0.61 C ATOM 488 CD ARG A 34 8.878 -9.640 -5.359 1.00 1.10 C ATOM 489 NE ARG A 34 10.189 -9.892 -4.755 1.00 1.91 N ATOM 490 CZ ARG A 34 10.379 -10.534 -3.602 1.00 3.03 C ATOM 491 NH1 ARG A 34 9.342 -10.959 -2.887 1.00 3.63 N ATOM 492 NH2 ARG A 34 11.602 -10.714 -3.140 1.00 3.94 N ATOM 0 H ARG A 34 9.776 -5.730 -5.647 1.00 0.33 H new ATOM 0 HA ARG A 34 7.228 -5.961 -4.346 1.00 0.34 H new ATOM 0 HB2 ARG A 34 9.791 -7.493 -3.875 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.168 -7.977 -3.423 1.00 0.47 H new ATOM 0 HG2 ARG A 34 7.576 -8.023 -5.885 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.266 -7.728 -6.243 1.00 0.61 H new ATOM 0 HD2 ARG A 34 8.103 -10.099 -4.745 1.00 1.10 H new ATOM 0 HD3 ARG A 34 8.834 -10.117 -6.338 1.00 1.10 H new ATOM 0 HE ARG A 34 11.013 -9.553 -5.251 1.00 1.91 H new ATOM 0 HH11 ARG A 34 8.392 -10.795 -3.219 1.00 3.63 H new ATOM 0 HH12 ARG A 34 9.497 -11.449 -2.006 1.00 3.63 H new ATOM 0 HH21 ARG A 34 12.402 -10.362 -3.665 1.00 3.94 H new ATOM 0 HH22 ARG A 34 11.747 -11.205 -2.258 1.00 3.94 H new ATOM 506 N PHE A 35 7.723 -5.359 -1.939 1.00 0.25 N ATOM 507 CA PHE A 35 7.915 -4.719 -0.636 1.00 0.24 C ATOM 508 C PHE A 35 9.080 -5.359 0.116 1.00 0.27 C ATOM 509 O PHE A 35 9.897 -4.664 0.713 1.00 0.29 O ATOM 510 CB PHE A 35 6.650 -4.777 0.217 1.00 0.26 C ATOM 511 CG PHE A 35 5.418 -4.304 -0.483 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.179 -2.958 -0.694 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.489 -5.213 -0.919 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.026 -2.547 -1.334 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.348 -4.812 -1.554 1.00 0.32 C ATOM 516 CZ PHE A 35 3.113 -3.487 -1.763 1.00 0.35 C ATOM 0 H PHE A 35 6.817 -5.813 -2.054 1.00 0.25 H new ATOM 0 HA PHE A 35 8.146 -3.671 -0.825 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.495 -5.804 0.548 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.801 -4.173 1.112 1.00 0.26 H new ATOM 0 HD1 PHE A 35 5.897 -2.225 -0.357 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.663 -6.267 -0.757 1.00 0.27 H new ATOM 0 HE1 PHE A 35 3.841 -1.496 -1.497 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.631 -5.547 -1.891 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.210 -3.172 -2.265 1.00 0.35 H new ATOM 526 N GLU A 36 9.162 -6.678 0.064 1.00 0.37 N ATOM 527 CA GLU A 36 10.266 -7.414 0.664 1.00 0.47 C ATOM 528 C GLU A 36 11.603 -6.911 0.108 1.00 0.46 C ATOM 529 O GLU A 36 12.563 -6.712 0.840 1.00 0.51 O ATOM 530 CB GLU A 36 10.134 -8.897 0.340 1.00 0.64 C ATOM 531 CG GLU A 36 11.231 -9.760 0.937 1.00 1.56 C ATOM 532 CD GLU A 36 11.205 -11.153 0.399 1.00 2.12 C ATOM 533 OE1 GLU A 36 10.466 -11.997 0.952 1.00 2.45 O ATOM 534 OE2 GLU A 36 11.942 -11.450 -0.567 1.00 2.79 O ATOM 0 H GLU A 36 8.468 -7.269 -0.394 1.00 0.37 H new ATOM 0 HA GLU A 36 10.236 -7.261 1.743 1.00 0.47 H new ATOM 0 HB2 GLU A 36 9.169 -9.253 0.701 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.135 -9.023 -0.743 1.00 0.64 H new ATOM 0 HG2 GLU A 36 12.201 -9.309 0.728 1.00 1.56 H new ATOM 0 HG3 GLU A 36 11.120 -9.788 2.021 1.00 1.56 H new ATOM 541 N ASP A 37 11.606 -6.614 -1.174 1.00 0.44 N ATOM 542 CA ASP A 37 12.821 -6.260 -1.899 1.00 0.50 C ATOM 543 C ASP A 37 13.201 -4.803 -1.654 1.00 0.48 C ATOM 544 O ASP A 37 14.375 -4.425 -1.740 1.00 0.60 O ATOM 545 CB ASP A 37 12.617 -6.540 -3.387 1.00 0.57 C ATOM 546 CG ASP A 37 13.823 -6.233 -4.241 1.00 0.68 C ATOM 547 OD1 ASP A 37 14.808 -7.002 -4.201 1.00 0.74 O ATOM 548 OD2 ASP A 37 13.799 -5.247 -4.979 1.00 0.88 O ATOM 0 H ASP A 37 10.765 -6.610 -1.751 1.00 0.44 H new ATOM 0 HA ASP A 37 13.648 -6.870 -1.535 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.351 -7.589 -3.516 1.00 0.57 H new ATOM 0 HB3 ASP A 37 11.772 -5.951 -3.744 1.00 0.57 H new ATOM 553 N ILE A 38 12.226 -4.002 -1.268 1.00 0.40 N ATOM 554 CA ILE A 38 12.491 -2.606 -0.949 1.00 0.42 C ATOM 555 C ILE A 38 12.780 -2.441 0.551 1.00 0.42 C ATOM 556 O ILE A 38 12.832 -1.337 1.080 1.00 0.50 O ATOM 557 CB ILE A 38 11.356 -1.630 -1.406 1.00 0.47 C ATOM 558 CG1 ILE A 38 10.023 -1.987 -0.735 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.220 -1.649 -2.925 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.861 -1.080 -1.082 1.00 0.60 C ATOM 0 H ILE A 38 11.252 -4.287 -1.167 1.00 0.40 H new ATOM 0 HA ILE A 38 13.375 -2.326 -1.521 1.00 0.42 H new ATOM 0 HB ILE A 38 11.626 -0.621 -1.096 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.759 -3.009 -1.009 1.00 0.47 H new ATOM 0 HG13 ILE A 38 10.164 -1.973 0.346 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.427 -0.965 -3.228 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.161 -1.337 -3.378 1.00 0.56 H new ATOM 0 HG23 ILE A 38 10.975 -2.658 -3.256 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.967 -1.417 -0.557 1.00 0.60 H new ATOM 0 HD12 ILE A 38 9.094 -0.059 -0.782 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.684 -1.111 -2.157 1.00 0.60 H new ATOM 572 N GLY A 39 13.025 -3.564 1.214 1.00 0.42 N ATOM 573 CA GLY A 39 13.419 -3.552 2.607 1.00 0.50 C ATOM 574 C GLY A 39 12.256 -3.451 3.570 1.00 0.47 C ATOM 575 O GLY A 39 12.460 -3.341 4.779 1.00 0.66 O ATOM 0 H GLY A 39 12.956 -4.495 0.803 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.980 -4.461 2.824 1.00 0.50 H new ATOM 0 HA3 GLY A 39 14.093 -2.713 2.777 1.00 0.50 H new ATOM 579 N TYR A 40 11.056 -3.528 3.057 1.00 0.36 N ATOM 580 CA TYR A 40 9.862 -3.412 3.875 1.00 0.36 C ATOM 581 C TYR A 40 9.513 -4.698 4.549 1.00 0.42 C ATOM 582 O TYR A 40 9.474 -5.759 3.915 1.00 0.59 O ATOM 583 CB TYR A 40 8.669 -2.950 3.051 1.00 0.36 C ATOM 584 CG TYR A 40 8.475 -1.471 3.002 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.512 -0.664 2.586 1.00 0.70 C ATOM 586 CD2 TYR A 40 7.277 -0.877 3.367 1.00 0.64 C ATOM 587 CE1 TYR A 40 9.382 0.690 2.531 1.00 0.95 C ATOM 588 CE2 TYR A 40 7.124 0.489 3.318 1.00 0.90 C ATOM 589 CZ TYR A 40 8.059 1.260 2.926 1.00 1.04 C ATOM 590 OH TYR A 40 8.016 2.634 2.851 1.00 1.33 O ATOM 0 H TYR A 40 10.872 -3.672 2.064 1.00 0.36 H new ATOM 0 HA TYR A 40 10.090 -2.668 4.638 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.784 -3.321 2.032 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.767 -3.407 3.457 1.00 0.36 H new ATOM 0 HD1 TYR A 40 10.449 -1.116 2.297 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.453 -1.494 3.694 1.00 0.64 H new ATOM 0 HE1 TYR A 40 10.198 1.323 2.216 1.00 0.95 H new ATOM 0 HE2 TYR A 40 6.182 0.921 3.621 1.00 0.90 H new ATOM 0 HH TYR A 40 7.543 2.990 3.632 1.00 1.33 H new ATOM 600 N ASP A 41 9.253 -4.610 5.823 1.00 0.42 N ATOM 601 CA ASP A 41 8.805 -5.751 6.576 1.00 0.51 C ATOM 602 C ASP A 41 7.328 -5.830 6.374 1.00 0.44 C ATOM 603 O ASP A 41 6.658 -4.785 6.282 1.00 0.38 O ATOM 604 CB ASP A 41 9.052 -5.602 8.080 1.00 0.67 C ATOM 605 CG ASP A 41 10.482 -5.297 8.466 1.00 0.89 C ATOM 606 OD1 ASP A 41 11.335 -6.220 8.423 1.00 1.06 O ATOM 607 OD2 ASP A 41 10.801 -4.133 8.765 1.00 0.99 O ATOM 0 H ASP A 41 9.344 -3.752 6.367 1.00 0.42 H new ATOM 0 HA ASP A 41 9.349 -6.632 6.236 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.411 -4.807 8.461 1.00 0.67 H new ATOM 0 HB3 ASP A 41 8.746 -6.523 8.576 1.00 0.67 H new ATOM 612 N SER A 42 6.815 -7.017 6.267 1.00 0.51 N ATOM 613 CA SER A 42 5.398 -7.232 6.089 1.00 0.48 C ATOM 614 C SER A 42 4.535 -6.551 7.162 1.00 0.41 C ATOM 615 O SER A 42 3.440 -6.108 6.877 1.00 0.37 O ATOM 616 CB SER A 42 5.097 -8.700 5.940 1.00 0.59 C ATOM 617 OG SER A 42 5.654 -9.463 7.009 1.00 1.03 O ATOM 0 H SER A 42 7.365 -7.875 6.300 1.00 0.51 H new ATOM 0 HA SER A 42 5.115 -6.739 5.159 1.00 0.48 H new ATOM 0 HB2 SER A 42 4.018 -8.849 5.910 1.00 0.59 H new ATOM 0 HB3 SER A 42 5.495 -9.059 4.991 1.00 0.59 H new ATOM 0 HG SER A 42 5.438 -10.410 6.882 1.00 1.03 H new ATOM 623 N LEU A 43 5.054 -6.441 8.377 1.00 0.45 N ATOM 624 CA LEU A 43 4.340 -5.774 9.452 1.00 0.46 C ATOM 625 C LEU A 43 4.160 -4.292 9.127 1.00 0.41 C ATOM 626 O LEU A 43 3.091 -3.726 9.337 1.00 0.41 O ATOM 627 CB LEU A 43 5.080 -5.937 10.776 1.00 0.59 C ATOM 628 CG LEU A 43 4.433 -5.278 11.992 1.00 0.75 C ATOM 629 CD1 LEU A 43 3.066 -5.888 12.291 1.00 1.56 C ATOM 630 CD2 LEU A 43 5.346 -5.386 13.188 1.00 1.24 C ATOM 0 H LEU A 43 5.969 -6.806 8.641 1.00 0.45 H new ATOM 0 HA LEU A 43 3.358 -6.236 9.549 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.188 -7.002 10.980 1.00 0.59 H new ATOM 0 HB3 LEU A 43 6.085 -5.531 10.660 1.00 0.59 H new ATOM 0 HG LEU A 43 4.277 -4.223 11.767 1.00 0.75 H new ATOM 0 HD11 LEU A 43 2.631 -5.398 13.162 1.00 1.56 H new ATOM 0 HD12 LEU A 43 2.410 -5.750 11.432 1.00 1.56 H new ATOM 0 HD13 LEU A 43 3.179 -6.953 12.493 1.00 1.56 H new ATOM 0 HD21 LEU A 43 4.875 -4.913 14.049 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.534 -6.437 13.409 1.00 1.24 H new ATOM 0 HD23 LEU A 43 6.290 -4.887 12.971 1.00 1.24 H new ATOM 642 N ALA A 44 5.206 -3.673 8.596 1.00 0.39 N ATOM 643 CA ALA A 44 5.145 -2.273 8.174 1.00 0.39 C ATOM 644 C ALA A 44 4.159 -2.126 7.026 1.00 0.34 C ATOM 645 O ALA A 44 3.444 -1.133 6.917 1.00 0.40 O ATOM 646 CB ALA A 44 6.515 -1.771 7.763 1.00 0.43 C ATOM 0 H ALA A 44 6.112 -4.117 8.445 1.00 0.39 H new ATOM 0 HA ALA A 44 4.806 -1.670 9.016 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.443 -0.728 7.454 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.201 -1.853 8.606 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.888 -2.371 6.933 1.00 0.43 H new ATOM 652 N LEU A 45 4.136 -3.133 6.172 1.00 0.29 N ATOM 653 CA LEU A 45 3.206 -3.193 5.062 1.00 0.28 C ATOM 654 C LEU A 45 1.767 -3.275 5.589 1.00 0.25 C ATOM 655 O LEU A 45 0.872 -2.566 5.116 1.00 0.26 O ATOM 656 CB LEU A 45 3.517 -4.405 4.190 1.00 0.30 C ATOM 657 CG LEU A 45 2.617 -4.620 2.987 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.646 -3.410 2.081 1.00 0.43 C ATOM 659 CD2 LEU A 45 3.076 -5.836 2.237 1.00 0.38 C ATOM 0 H LEU A 45 4.764 -3.934 6.230 1.00 0.29 H new ATOM 0 HA LEU A 45 3.309 -2.290 4.460 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.544 -4.317 3.837 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.470 -5.297 4.815 1.00 0.30 H new ATOM 0 HG LEU A 45 1.593 -4.767 3.329 1.00 0.33 H new ATOM 0 HD11 LEU A 45 1.995 -3.582 1.224 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.299 -2.535 2.631 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.665 -3.239 1.734 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.432 -5.994 1.372 1.00 0.38 H new ATOM 0 HD22 LEU A 45 4.103 -5.691 1.903 1.00 0.38 H new ATOM 0 HD23 LEU A 45 3.026 -6.707 2.891 1.00 0.38 H new ATOM 671 N MET A 46 1.560 -4.133 6.584 1.00 0.24 N ATOM 672 CA MET A 46 0.257 -4.272 7.230 1.00 0.23 C ATOM 673 C MET A 46 -0.145 -2.968 7.885 1.00 0.25 C ATOM 674 O MET A 46 -1.279 -2.591 7.827 1.00 0.27 O ATOM 675 CB MET A 46 0.243 -5.389 8.267 1.00 0.27 C ATOM 676 CG MET A 46 0.507 -6.783 7.715 1.00 0.34 C ATOM 677 SD MET A 46 0.684 -8.024 9.019 1.00 0.50 S ATOM 678 CE MET A 46 -0.897 -7.867 9.848 1.00 1.49 C ATOM 0 H MET A 46 2.282 -4.746 6.963 1.00 0.24 H new ATOM 0 HA MET A 46 -0.460 -4.532 6.451 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.992 -5.168 9.027 1.00 0.27 H new ATOM 0 HB3 MET A 46 -0.726 -5.390 8.765 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.311 -7.069 7.054 1.00 0.34 H new ATOM 0 HG3 MET A 46 1.414 -6.765 7.110 1.00 0.34 H new ATOM 0 HE1 MET A 46 -1.055 -8.729 10.496 1.00 1.49 H new ATOM 0 HE2 MET A 46 -0.905 -6.957 10.447 1.00 1.49 H new ATOM 0 HE3 MET A 46 -1.694 -7.819 9.106 1.00 1.49 H new ATOM 688 N GLU A 47 0.826 -2.275 8.475 1.00 0.29 N ATOM 689 CA GLU A 47 0.627 -0.953 9.104 1.00 0.34 C ATOM 690 C GLU A 47 0.145 0.055 8.056 1.00 0.32 C ATOM 691 O GLU A 47 -0.704 0.895 8.323 1.00 0.36 O ATOM 692 CB GLU A 47 1.970 -0.490 9.708 1.00 0.45 C ATOM 693 CG GLU A 47 1.990 0.902 10.335 1.00 0.58 C ATOM 694 CD GLU A 47 1.042 1.048 11.494 1.00 1.03 C ATOM 695 OE1 GLU A 47 1.016 0.163 12.370 1.00 1.25 O ATOM 696 OE2 GLU A 47 0.273 2.035 11.524 1.00 1.88 O ATOM 0 H GLU A 47 1.787 -2.611 8.535 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.126 -1.022 9.889 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.269 -1.211 10.469 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.726 -0.522 8.924 1.00 0.45 H new ATOM 0 HG2 GLU A 47 3.002 1.126 10.672 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.737 1.639 9.573 1.00 0.58 H new ATOM 703 N THR A 48 0.649 -0.110 6.861 1.00 0.30 N ATOM 704 CA THR A 48 0.351 0.752 5.739 1.00 0.33 C ATOM 705 C THR A 48 -1.094 0.565 5.397 1.00 0.29 C ATOM 706 O THR A 48 -1.892 1.513 5.400 1.00 0.33 O ATOM 707 CB THR A 48 1.225 0.370 4.525 1.00 0.36 C ATOM 708 OG1 THR A 48 2.622 0.481 4.865 1.00 0.42 O ATOM 709 CG2 THR A 48 0.912 1.259 3.334 1.00 0.45 C ATOM 0 H THR A 48 1.295 -0.866 6.632 1.00 0.30 H new ATOM 0 HA THR A 48 0.558 1.791 5.995 1.00 0.33 H new ATOM 0 HB THR A 48 1.002 -0.662 4.255 1.00 0.36 H new ATOM 0 HG1 THR A 48 2.849 -0.193 5.539 1.00 0.42 H new ATOM 0 HG21 THR A 48 1.540 0.972 2.491 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.137 1.145 3.061 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.108 2.299 3.595 1.00 0.45 H new ATOM 717 N ALA A 49 -1.416 -0.683 5.118 1.00 0.25 N ATOM 718 CA ALA A 49 -2.745 -1.109 4.821 1.00 0.24 C ATOM 719 C ALA A 49 -3.678 -0.698 5.954 1.00 0.22 C ATOM 720 O ALA A 49 -4.740 -0.177 5.710 1.00 0.23 O ATOM 721 CB ALA A 49 -2.750 -2.622 4.629 1.00 0.27 C ATOM 0 H ALA A 49 -0.732 -1.440 5.094 1.00 0.25 H new ATOM 0 HA ALA A 49 -3.096 -0.638 3.903 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.762 -2.957 4.402 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.087 -2.886 3.805 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.405 -3.106 5.543 1.00 0.27 H new ATOM 727 N ALA A 50 -3.229 -0.898 7.183 1.00 0.23 N ATOM 728 CA ALA A 50 -3.981 -0.580 8.373 1.00 0.26 C ATOM 729 C ALA A 50 -4.363 0.891 8.461 1.00 0.28 C ATOM 730 O ALA A 50 -5.505 1.235 8.808 1.00 0.30 O ATOM 731 CB ALA A 50 -3.264 -1.027 9.623 1.00 0.33 C ATOM 0 H ALA A 50 -2.310 -1.295 7.379 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.912 -1.142 8.296 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.862 -0.770 10.497 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -3.114 -2.106 9.590 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.297 -0.528 9.686 1.00 0.33 H new ATOM 737 N ARG A 51 -3.410 1.760 8.174 1.00 0.31 N ATOM 738 CA ARG A 51 -3.657 3.196 8.163 1.00 0.37 C ATOM 739 C ARG A 51 -4.608 3.549 7.039 1.00 0.36 C ATOM 740 O ARG A 51 -5.505 4.385 7.202 1.00 0.40 O ATOM 741 CB ARG A 51 -2.362 3.981 8.048 1.00 0.45 C ATOM 742 CG ARG A 51 -1.429 3.762 9.213 1.00 0.54 C ATOM 743 CD ARG A 51 -0.164 4.560 9.057 1.00 0.70 C ATOM 744 NE ARG A 51 0.759 4.337 10.173 1.00 1.59 N ATOM 745 CZ ARG A 51 1.680 5.203 10.564 1.00 1.76 C ATOM 746 NH1 ARG A 51 1.668 6.439 10.076 1.00 1.27 N ATOM 747 NH2 ARG A 51 2.574 4.865 11.484 1.00 2.84 N ATOM 0 H ARG A 51 -2.452 1.497 7.944 1.00 0.31 H new ATOM 0 HA ARG A 51 -4.118 3.472 9.111 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.854 3.698 7.126 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.594 5.043 7.971 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.928 4.045 10.140 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -1.186 2.702 9.293 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.324 4.288 8.121 1.00 0.70 H new ATOM 0 HD3 ARG A 51 -0.408 5.620 8.993 1.00 0.70 H new ATOM 0 HE ARG A 51 0.687 3.456 10.682 1.00 1.59 H new ATOM 0 HH11 ARG A 51 0.952 6.715 9.404 1.00 1.27 H new ATOM 0 HH12 ARG A 51 2.375 7.112 10.373 1.00 1.27 H new ATOM 0 HH21 ARG A 51 2.555 3.932 11.895 1.00 2.84 H new ATOM 0 HH22 ARG A 51 3.281 5.538 11.780 1.00 2.84 H new ATOM 761 N LEU A 52 -4.444 2.882 5.918 1.00 0.32 N ATOM 762 CA LEU A 52 -5.323 3.047 4.789 1.00 0.34 C ATOM 763 C LEU A 52 -6.735 2.595 5.158 1.00 0.33 C ATOM 764 O LEU A 52 -7.719 3.234 4.766 1.00 0.37 O ATOM 765 CB LEU A 52 -4.764 2.293 3.582 1.00 0.35 C ATOM 766 CG LEU A 52 -3.463 2.869 3.008 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.914 1.989 1.903 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.691 4.286 2.495 1.00 0.69 C ATOM 0 H LEU A 52 -3.693 2.208 5.767 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.383 4.100 4.514 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.590 1.256 3.868 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.519 2.284 2.796 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.726 2.900 3.810 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -1.992 2.423 1.516 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.709 0.994 2.298 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.646 1.916 1.099 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.759 4.681 2.091 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.449 4.272 1.712 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -4.028 4.920 3.315 1.00 0.69 H new ATOM 780 N GLU A 53 -6.825 1.518 5.946 1.00 0.29 N ATOM 781 CA GLU A 53 -8.088 1.048 6.492 1.00 0.32 C ATOM 782 C GLU A 53 -8.734 2.147 7.290 1.00 0.35 C ATOM 783 O GLU A 53 -9.854 2.545 7.000 1.00 0.42 O ATOM 784 CB GLU A 53 -7.919 -0.158 7.409 1.00 0.32 C ATOM 785 CG GLU A 53 -7.353 -1.398 6.771 1.00 0.34 C ATOM 786 CD GLU A 53 -7.380 -2.556 7.722 1.00 0.40 C ATOM 787 OE1 GLU A 53 -6.505 -2.646 8.602 1.00 0.46 O ATOM 788 OE2 GLU A 53 -8.318 -3.381 7.634 1.00 0.48 O ATOM 0 H GLU A 53 -6.021 0.953 6.219 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.705 0.753 5.643 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.271 0.128 8.237 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.891 -0.404 7.835 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.926 -1.644 5.877 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.328 -1.210 6.451 1.00 0.34 H new ATOM 795 N SER A 54 -7.994 2.672 8.260 1.00 0.35 N ATOM 796 CA SER A 54 -8.520 3.703 9.140 1.00 0.41 C ATOM 797 C SER A 54 -8.926 4.981 8.376 1.00 0.45 C ATOM 798 O SER A 54 -9.916 5.627 8.701 1.00 0.55 O ATOM 799 CB SER A 54 -7.521 4.003 10.283 1.00 0.47 C ATOM 800 OG SER A 54 -6.231 4.370 9.797 1.00 1.19 O ATOM 0 H SER A 54 -7.030 2.400 8.455 1.00 0.35 H new ATOM 0 HA SER A 54 -9.437 3.318 9.586 1.00 0.41 H new ATOM 0 HB2 SER A 54 -7.915 4.808 10.904 1.00 0.47 H new ATOM 0 HB3 SER A 54 -7.429 3.124 10.921 1.00 0.47 H new ATOM 0 HG SER A 54 -6.259 4.448 8.821 1.00 1.19 H new ATOM 806 N ARG A 55 -8.150 5.338 7.379 1.00 0.44 N ATOM 807 CA ARG A 55 -8.409 6.516 6.575 1.00 0.54 C ATOM 808 C ARG A 55 -9.631 6.374 5.647 1.00 0.56 C ATOM 809 O ARG A 55 -10.464 7.283 5.555 1.00 0.68 O ATOM 810 CB ARG A 55 -7.151 6.908 5.798 1.00 0.63 C ATOM 811 CG ARG A 55 -7.317 8.104 4.888 1.00 0.83 C ATOM 812 CD ARG A 55 -5.984 8.570 4.341 1.00 1.08 C ATOM 813 NE ARG A 55 -5.141 9.187 5.376 1.00 1.65 N ATOM 814 CZ ARG A 55 -4.345 10.238 5.148 1.00 2.21 C ATOM 815 NH1 ARG A 55 -4.064 10.593 3.899 1.00 2.35 N ATOM 816 NH2 ARG A 55 -3.777 10.890 6.147 1.00 3.07 N ATOM 0 H ARG A 55 -7.317 4.819 7.099 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.667 7.320 7.264 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -6.352 7.118 6.509 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.830 6.055 5.200 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -7.981 7.846 4.063 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -7.792 8.918 5.437 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -5.457 7.722 3.904 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -6.154 9.288 3.538 1.00 1.08 H new ATOM 0 HE ARG A 55 -5.164 8.793 6.317 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -4.455 10.065 3.119 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -3.458 11.394 3.720 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -3.943 10.594 7.109 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -3.173 11.689 5.956 1.00 3.07 H new ATOM 830 N TYR A 56 -9.732 5.256 4.948 1.00 0.50 N ATOM 831 CA TYR A 56 -10.775 5.102 3.931 1.00 0.57 C ATOM 832 C TYR A 56 -11.972 4.266 4.368 1.00 0.61 C ATOM 833 O TYR A 56 -13.006 4.276 3.702 1.00 0.74 O ATOM 834 CB TYR A 56 -10.179 4.556 2.631 1.00 0.62 C ATOM 835 CG TYR A 56 -9.140 5.473 2.042 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.517 6.620 1.366 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.786 5.211 2.186 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.582 7.484 0.858 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.842 6.069 1.671 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.246 7.206 1.010 1.00 0.91 C ATOM 841 OH TYR A 56 -6.308 8.083 0.521 1.00 1.01 O ATOM 0 H TYR A 56 -9.118 4.449 5.058 1.00 0.50 H new ATOM 0 HA TYR A 56 -11.171 6.104 3.766 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.731 3.581 2.822 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.978 4.404 1.905 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.567 6.838 1.236 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.468 4.321 2.709 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -8.895 8.379 0.341 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.790 5.851 1.785 1.00 0.85 H new ATOM 0 HH TYR A 56 -5.432 7.876 0.909 1.00 1.01 H new ATOM 851 N GLY A 57 -11.846 3.549 5.455 1.00 0.58 N ATOM 852 CA GLY A 57 -12.936 2.703 5.898 1.00 0.66 C ATOM 853 C GLY A 57 -12.970 1.412 5.112 1.00 0.71 C ATOM 854 O GLY A 57 -14.035 0.833 4.875 1.00 0.93 O ATOM 0 H GLY A 57 -11.015 3.530 6.046 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.824 2.484 6.960 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.882 3.231 5.780 1.00 0.66 H new ATOM 858 N VAL A 58 -11.805 0.969 4.705 1.00 0.60 N ATOM 859 CA VAL A 58 -11.653 -0.246 3.935 1.00 0.65 C ATOM 860 C VAL A 58 -11.287 -1.390 4.874 1.00 0.60 C ATOM 861 O VAL A 58 -10.492 -1.216 5.787 1.00 0.70 O ATOM 862 CB VAL A 58 -10.571 -0.066 2.798 1.00 0.69 C ATOM 863 CG1 VAL A 58 -9.250 0.446 3.339 1.00 1.09 C ATOM 864 CG2 VAL A 58 -10.343 -1.359 2.035 1.00 1.16 C ATOM 0 H VAL A 58 -10.925 1.446 4.900 1.00 0.60 H new ATOM 0 HA VAL A 58 -12.596 -0.480 3.442 1.00 0.65 H new ATOM 0 HB VAL A 58 -10.972 0.682 2.114 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -8.539 0.554 2.520 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.403 1.414 3.816 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -8.858 -0.261 4.070 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -9.593 -1.197 1.261 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -9.995 -2.130 2.722 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -11.277 -1.679 1.573 1.00 1.16 H new ATOM 874 N SER A 59 -11.918 -2.513 4.696 1.00 0.62 N ATOM 875 CA SER A 59 -11.670 -3.666 5.522 1.00 0.67 C ATOM 876 C SER A 59 -10.675 -4.602 4.827 1.00 0.59 C ATOM 877 O SER A 59 -11.016 -5.254 3.828 1.00 0.72 O ATOM 878 CB SER A 59 -12.993 -4.373 5.797 1.00 0.92 C ATOM 879 OG SER A 59 -13.954 -3.443 6.301 1.00 1.87 O ATOM 0 H SER A 59 -12.622 -2.659 3.973 1.00 0.62 H new ATOM 0 HA SER A 59 -11.232 -3.359 6.472 1.00 0.67 H new ATOM 0 HB2 SER A 59 -13.366 -4.832 4.881 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.841 -5.177 6.517 1.00 0.92 H new ATOM 0 HG SER A 59 -14.800 -3.907 6.472 1.00 1.87 H new ATOM 885 N ILE A 60 -9.448 -4.628 5.309 1.00 0.48 N ATOM 886 CA ILE A 60 -8.430 -5.468 4.721 1.00 0.45 C ATOM 887 C ILE A 60 -8.217 -6.717 5.570 1.00 0.51 C ATOM 888 O ILE A 60 -7.861 -6.618 6.754 1.00 0.57 O ATOM 889 CB ILE A 60 -7.084 -4.712 4.556 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.286 -3.456 3.699 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.021 -5.625 3.923 1.00 0.43 C ATOM 892 CD1 ILE A 60 -6.045 -2.614 3.552 1.00 0.41 C ATOM 0 H ILE A 60 -9.134 -4.076 6.107 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.779 -5.756 3.730 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.733 -4.413 5.544 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.631 -3.755 2.709 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -8.076 -2.849 4.142 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.086 -5.075 3.817 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.861 -6.494 4.562 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.362 -5.954 2.941 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.267 -1.744 2.933 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.711 -2.284 4.536 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.259 -3.204 3.081 1.00 0.41 H new ATOM 904 N PRO A 61 -8.486 -7.899 5.006 1.00 0.58 N ATOM 905 CA PRO A 61 -8.218 -9.161 5.682 1.00 0.66 C ATOM 906 C PRO A 61 -6.706 -9.353 5.874 1.00 0.56 C ATOM 907 O PRO A 61 -5.914 -9.183 4.918 1.00 0.44 O ATOM 908 CB PRO A 61 -8.786 -10.225 4.728 1.00 0.78 C ATOM 909 CG PRO A 61 -8.910 -9.551 3.405 1.00 0.87 C ATOM 910 CD PRO A 61 -9.105 -8.093 3.684 1.00 0.66 C ATOM 0 HA PRO A 61 -8.664 -9.212 6.675 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -8.125 -11.090 4.667 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.754 -10.587 5.076 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -8.017 -9.714 2.802 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -9.752 -9.954 2.842 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.628 -7.474 2.925 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -10.162 -7.826 3.695 1.00 0.66 H new ATOM 918 N ASP A 62 -6.316 -9.701 7.097 1.00 0.67 N ATOM 919 CA ASP A 62 -4.900 -9.866 7.500 1.00 0.67 C ATOM 920 C ASP A 62 -4.113 -10.778 6.588 1.00 0.54 C ATOM 921 O ASP A 62 -2.932 -10.541 6.345 1.00 0.52 O ATOM 922 CB ASP A 62 -4.761 -10.379 8.931 1.00 0.90 C ATOM 923 CG ASP A 62 -5.019 -9.343 9.993 1.00 1.18 C ATOM 924 OD1 ASP A 62 -4.086 -8.626 10.383 1.00 1.83 O ATOM 925 OD2 ASP A 62 -6.176 -9.193 10.425 1.00 1.29 O ATOM 0 H ASP A 62 -6.974 -9.881 7.855 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.483 -8.862 7.425 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -5.453 -11.209 9.075 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -3.755 -10.776 9.065 1.00 0.90 H new ATOM 930 N ASP A 63 -4.761 -11.792 6.056 1.00 0.56 N ATOM 931 CA ASP A 63 -4.084 -12.752 5.181 1.00 0.55 C ATOM 932 C ASP A 63 -3.653 -12.097 3.908 1.00 0.44 C ATOM 933 O ASP A 63 -2.503 -12.193 3.521 1.00 0.46 O ATOM 934 CB ASP A 63 -4.963 -13.967 4.859 1.00 0.75 C ATOM 935 CG ASP A 63 -5.111 -14.918 6.013 1.00 1.54 C ATOM 936 OD1 ASP A 63 -5.934 -14.669 6.914 1.00 2.34 O ATOM 937 OD2 ASP A 63 -4.406 -15.938 6.052 1.00 1.84 O ATOM 0 H ASP A 63 -5.752 -11.981 6.207 1.00 0.56 H new ATOM 0 HA ASP A 63 -3.208 -13.105 5.725 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -5.951 -13.621 4.554 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -4.536 -14.501 4.010 1.00 0.75 H new ATOM 942 N VAL A 64 -4.542 -11.326 3.320 1.00 0.41 N ATOM 943 CA VAL A 64 -4.266 -10.677 2.049 1.00 0.40 C ATOM 944 C VAL A 64 -3.249 -9.560 2.257 1.00 0.34 C ATOM 945 O VAL A 64 -2.403 -9.319 1.406 1.00 0.41 O ATOM 946 CB VAL A 64 -5.562 -10.119 1.394 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.268 -9.451 0.054 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.584 -11.232 1.211 1.00 0.66 C ATOM 0 H VAL A 64 -5.468 -11.130 3.701 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.855 -11.422 1.368 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.973 -9.363 2.063 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.196 -9.073 -0.375 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.574 -8.624 0.204 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -4.824 -10.178 -0.626 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.485 -10.826 0.752 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.167 -12.007 0.568 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.833 -11.661 2.182 1.00 0.66 H new ATOM 958 N ALA A 65 -3.293 -8.948 3.432 1.00 0.33 N ATOM 959 CA ALA A 65 -2.354 -7.885 3.817 1.00 0.39 C ATOM 960 C ALA A 65 -0.885 -8.361 3.779 1.00 0.41 C ATOM 961 O ALA A 65 0.030 -7.554 3.674 1.00 0.51 O ATOM 962 CB ALA A 65 -2.704 -7.339 5.195 1.00 0.46 C ATOM 0 H ALA A 65 -3.980 -9.170 4.152 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.452 -7.086 3.083 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -1.999 -6.553 5.465 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.714 -6.930 5.179 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.650 -8.143 5.929 1.00 0.46 H new ATOM 968 N GLY A 66 -0.677 -9.668 3.877 1.00 0.40 N ATOM 969 CA GLY A 66 0.666 -10.208 3.802 1.00 0.48 C ATOM 970 C GLY A 66 0.884 -11.020 2.526 1.00 0.48 C ATOM 971 O GLY A 66 1.965 -11.566 2.297 1.00 0.61 O ATOM 0 H GLY A 66 -1.413 -10.362 4.007 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.388 -9.392 3.841 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.852 -10.840 4.670 1.00 0.48 H new ATOM 975 N ARG A 67 -0.145 -11.096 1.692 1.00 0.43 N ATOM 976 CA ARG A 67 -0.060 -11.823 0.425 1.00 0.48 C ATOM 977 C ARG A 67 0.256 -10.850 -0.685 1.00 0.36 C ATOM 978 O ARG A 67 0.639 -11.241 -1.793 1.00 0.40 O ATOM 979 CB ARG A 67 -1.373 -12.548 0.089 1.00 0.64 C ATOM 980 CG ARG A 67 -1.798 -13.673 1.035 1.00 1.16 C ATOM 981 CD ARG A 67 -0.851 -14.866 1.037 1.00 1.45 C ATOM 982 NE ARG A 67 0.445 -14.602 1.683 1.00 2.16 N ATOM 983 CZ ARG A 67 1.595 -15.179 1.322 1.00 3.05 C ATOM 984 NH1 ARG A 67 1.629 -16.014 0.280 1.00 3.43 N ATOM 985 NH2 ARG A 67 2.701 -14.922 1.993 1.00 3.98 N ATOM 0 H ARG A 67 -1.052 -10.663 1.868 1.00 0.43 H new ATOM 0 HA ARG A 67 0.726 -12.572 0.523 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -2.173 -11.808 0.060 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.285 -12.963 -0.915 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -1.869 -13.276 2.048 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -2.795 -14.013 0.755 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -1.335 -15.700 1.545 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -0.675 -15.179 0.008 1.00 1.45 H new ATOM 0 HE ARG A 67 0.467 -13.936 2.455 1.00 2.16 H new ATOM 0 HH11 ARG A 67 0.776 -16.213 -0.242 1.00 3.43 H new ATOM 0 HH12 ARG A 67 2.508 -16.453 0.007 1.00 3.43 H new ATOM 0 HH21 ARG A 67 2.679 -14.283 2.788 1.00 3.98 H new ATOM 0 HH22 ARG A 67 3.579 -15.362 1.717 1.00 3.98 H new ATOM 999 N VAL A 68 0.084 -9.586 -0.386 1.00 0.33 N ATOM 1000 CA VAL A 68 0.378 -8.533 -1.312 1.00 0.34 C ATOM 1001 C VAL A 68 1.889 -8.314 -1.378 1.00 0.35 C ATOM 1002 O VAL A 68 2.489 -7.641 -0.562 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.403 -7.224 -0.974 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.889 -7.442 -1.206 1.00 0.38 C ATOM 1005 CG2 VAL A 68 -0.179 -6.777 0.468 1.00 0.41 C ATOM 0 H VAL A 68 -0.267 -9.262 0.515 1.00 0.33 H new ATOM 0 HA VAL A 68 0.035 -8.831 -2.303 1.00 0.34 H new ATOM 0 HB VAL A 68 -0.026 -6.439 -1.630 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.432 -6.527 -0.969 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -2.059 -7.706 -2.250 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -2.243 -8.250 -0.565 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.742 -5.863 0.657 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.517 -7.559 1.148 1.00 0.41 H new ATOM 0 HG23 VAL A 68 0.882 -6.590 0.630 1.00 0.41 H new ATOM 1015 N ASP A 69 2.490 -8.999 -2.300 1.00 0.36 N ATOM 1016 CA ASP A 69 3.934 -8.981 -2.478 1.00 0.40 C ATOM 1017 C ASP A 69 4.363 -7.840 -3.353 1.00 0.32 C ATOM 1018 O ASP A 69 5.407 -7.215 -3.122 1.00 0.32 O ATOM 1019 CB ASP A 69 4.382 -10.329 -3.045 1.00 0.57 C ATOM 1020 CG ASP A 69 5.825 -10.398 -3.471 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.692 -10.292 -2.604 1.00 1.27 O ATOM 1022 OD2 ASP A 69 6.108 -10.480 -4.692 1.00 1.91 O ATOM 0 H ASP A 69 1.999 -9.597 -2.965 1.00 0.36 H new ATOM 0 HA ASP A 69 4.415 -8.826 -1.512 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.205 -11.098 -2.293 1.00 0.57 H new ATOM 0 HB3 ASP A 69 3.755 -10.571 -3.903 1.00 0.57 H new ATOM 1027 N THR A 70 3.565 -7.539 -4.313 1.00 0.32 N ATOM 1028 CA THR A 70 3.841 -6.465 -5.192 1.00 0.31 C ATOM 1029 C THR A 70 2.790 -5.362 -4.994 1.00 0.27 C ATOM 1030 O THR A 70 1.641 -5.659 -4.609 1.00 0.29 O ATOM 1031 CB THR A 70 3.863 -6.982 -6.636 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.627 -7.649 -6.910 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.007 -7.969 -6.804 1.00 0.47 C ATOM 0 H THR A 70 2.696 -8.036 -4.511 1.00 0.32 H new ATOM 0 HA THR A 70 4.820 -6.037 -4.975 1.00 0.31 H new ATOM 0 HB THR A 70 3.998 -6.146 -7.323 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.632 -7.981 -7.832 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.023 -8.337 -7.830 1.00 0.47 H new ATOM 0 HG22 THR A 70 5.952 -7.472 -6.582 1.00 0.47 H new ATOM 0 HG23 THR A 70 4.868 -8.807 -6.121 1.00 0.47 H new ATOM 1041 N PRO A 71 3.167 -4.083 -5.206 1.00 0.25 N ATOM 1042 CA PRO A 71 2.271 -2.933 -5.031 1.00 0.24 C ATOM 1043 C PRO A 71 0.967 -3.080 -5.787 1.00 0.21 C ATOM 1044 O PRO A 71 -0.082 -2.742 -5.261 1.00 0.25 O ATOM 1045 CB PRO A 71 3.087 -1.763 -5.558 1.00 0.29 C ATOM 1046 CG PRO A 71 4.490 -2.179 -5.343 1.00 0.32 C ATOM 1047 CD PRO A 71 4.515 -3.653 -5.598 1.00 0.30 C ATOM 0 HA PRO A 71 1.963 -2.814 -3.992 1.00 0.24 H new ATOM 0 HB2 PRO A 71 2.883 -1.577 -6.612 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.857 -0.842 -5.022 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.163 -1.653 -6.020 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.816 -1.951 -4.328 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.721 -3.877 -6.645 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.284 -4.151 -5.008 1.00 0.30 H new ATOM 1055 N ARG A 72 1.045 -3.613 -7.004 1.00 0.22 N ATOM 1056 CA ARG A 72 -0.134 -3.862 -7.848 1.00 0.26 C ATOM 1057 C ARG A 72 -1.240 -4.643 -7.104 1.00 0.25 C ATOM 1058 O ARG A 72 -2.414 -4.302 -7.209 1.00 0.29 O ATOM 1059 CB ARG A 72 0.265 -4.566 -9.159 1.00 0.40 C ATOM 1060 CG ARG A 72 1.055 -5.857 -8.969 1.00 0.92 C ATOM 1061 CD ARG A 72 1.464 -6.483 -10.292 1.00 0.95 C ATOM 1062 NE ARG A 72 2.233 -5.555 -11.127 1.00 0.67 N ATOM 1063 CZ ARG A 72 3.518 -5.685 -11.483 1.00 0.93 C ATOM 1064 NH1 ARG A 72 4.258 -6.719 -11.055 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.053 -4.783 -12.285 1.00 1.29 N ATOM 0 H ARG A 72 1.926 -3.887 -7.439 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.557 -2.889 -8.099 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.639 -4.788 -9.727 1.00 0.40 H new ATOM 0 HB3 ARG A 72 0.858 -3.877 -9.760 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.946 -5.651 -8.376 1.00 0.92 H new ATOM 0 HG3 ARG A 72 0.453 -6.569 -8.403 1.00 0.92 H new ATOM 0 HD2 ARG A 72 2.059 -7.376 -10.101 1.00 0.95 H new ATOM 0 HD3 ARG A 72 0.573 -6.803 -10.832 1.00 0.95 H new ATOM 0 HE ARG A 72 1.742 -4.730 -11.470 1.00 0.67 H new ATOM 0 HH11 ARG A 72 3.844 -7.425 -10.447 1.00 1.48 H new ATOM 0 HH12 ARG A 72 5.235 -6.799 -11.338 1.00 1.48 H new ATOM 0 HH21 ARG A 72 3.489 -4.003 -12.623 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.030 -4.866 -12.566 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.840 -5.644 -6.316 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.776 -6.484 -5.563 1.00 0.28 C ATOM 1081 C GLU A 73 -2.528 -5.661 -4.528 1.00 0.26 C ATOM 1082 O GLU A 73 -3.770 -5.655 -4.493 1.00 0.28 O ATOM 1083 CB GLU A 73 -1.018 -7.604 -4.847 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.259 -8.536 -5.761 1.00 0.44 C ATOM 1085 CD GLU A 73 -1.159 -9.328 -6.659 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -1.527 -8.824 -7.731 1.00 2.13 O ATOM 1087 OE2 GLU A 73 -1.554 -10.454 -6.301 1.00 1.24 O ATOM 0 H GLU A 73 0.139 -5.895 -6.182 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.488 -6.910 -6.270 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.317 -7.157 -4.142 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.728 -8.189 -4.262 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.435 -7.956 -6.369 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.340 -9.220 -5.159 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.762 -4.943 -3.715 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.296 -4.154 -2.613 1.00 0.28 C ATOM 1096 C LEU A 74 -3.107 -2.988 -3.154 1.00 0.26 C ATOM 1097 O LEU A 74 -4.195 -2.689 -2.646 1.00 0.29 O ATOM 1098 CB LEU A 74 -1.119 -3.694 -1.686 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.444 -2.955 -0.352 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.857 -1.520 -0.572 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.504 -3.710 0.444 1.00 0.90 C ATOM 0 H LEU A 74 -0.747 -4.892 -3.803 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.974 -4.756 -2.008 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.533 -4.579 -1.436 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.475 -3.041 -2.274 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.522 -2.933 0.229 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -2.072 -1.052 0.389 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -1.049 -0.980 -1.066 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.749 -1.490 -1.198 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.713 -3.175 1.370 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.417 -3.785 -0.146 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -2.140 -4.710 0.678 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.579 -2.359 -4.193 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.220 -1.240 -4.849 1.00 0.23 C ATOM 1115 C LEU A 75 -4.607 -1.654 -5.308 1.00 0.24 C ATOM 1116 O LEU A 75 -5.599 -1.086 -4.873 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.380 -0.788 -6.053 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.807 0.507 -6.730 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.666 1.669 -5.770 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -1.989 0.747 -7.988 1.00 0.34 C ATOM 0 H LEU A 75 -1.683 -2.618 -4.606 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.305 -0.409 -4.149 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.346 -0.677 -5.726 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.395 -1.584 -6.798 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.855 0.421 -7.018 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -2.974 2.590 -6.265 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.296 1.498 -4.897 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.626 1.757 -5.455 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.309 1.677 -8.458 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -0.933 0.816 -7.728 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.138 -0.080 -8.682 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.661 -2.707 -6.120 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.919 -3.230 -6.671 1.00 0.25 C ATOM 1134 C ASP A 76 -6.902 -3.644 -5.577 1.00 0.27 C ATOM 1135 O ASP A 76 -8.100 -3.380 -5.682 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.647 -4.412 -7.610 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.910 -5.084 -8.098 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.507 -4.628 -9.095 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -7.329 -6.091 -7.493 1.00 0.57 O ATOM 0 H ASP A 76 -3.835 -3.226 -6.418 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.380 -2.420 -7.237 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -5.074 -4.062 -8.468 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -5.029 -5.145 -7.092 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.376 -4.247 -4.512 1.00 0.30 N ATOM 1145 CA LEU A 77 -7.187 -4.723 -3.384 1.00 0.36 C ATOM 1146 C LEU A 77 -7.932 -3.549 -2.757 1.00 0.34 C ATOM 1147 O LEU A 77 -9.147 -3.614 -2.515 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.257 -5.449 -2.349 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.879 -6.141 -1.090 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.374 -5.152 -0.039 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -7.993 -7.095 -1.487 1.00 1.96 C ATOM 0 H LEU A 77 -5.377 -4.421 -4.403 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.933 -5.440 -3.728 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.697 -6.209 -2.894 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.534 -4.715 -1.992 1.00 0.47 H new ATOM 0 HG LEU A 77 -6.070 -6.707 -0.629 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -7.793 -5.698 0.806 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -6.541 -4.537 0.303 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.142 -4.513 -0.474 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.408 -7.562 -0.594 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.777 -6.543 -2.005 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.594 -7.865 -2.147 1.00 1.96 H new ATOM 1163 N ILE A 78 -7.225 -2.473 -2.535 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.824 -1.316 -1.932 1.00 0.34 C ATOM 1165 C ILE A 78 -8.640 -0.538 -2.970 1.00 0.31 C ATOM 1166 O ILE A 78 -9.713 -0.041 -2.662 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.767 -0.427 -1.224 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -6.032 -1.282 -0.176 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.432 0.781 -0.554 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.933 -0.568 0.569 1.00 0.55 C ATOM 0 H ILE A 78 -6.236 -2.375 -2.763 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.511 -1.649 -1.154 1.00 0.34 H new ATOM 0 HB ILE A 78 -6.058 -0.048 -1.960 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.760 -1.651 0.546 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.607 -2.154 -0.673 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.672 1.390 -0.064 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.945 1.378 -1.308 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -8.153 0.435 0.187 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -4.475 -1.251 1.284 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -4.178 -0.223 -0.138 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -5.350 0.288 1.100 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.153 -0.485 -4.211 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.875 0.185 -5.313 1.00 0.31 C ATOM 1184 C ASN A 79 -10.248 -0.399 -5.489 1.00 0.32 C ATOM 1185 O ASN A 79 -11.219 0.334 -5.573 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.137 0.104 -6.667 1.00 0.34 C ATOM 1187 CG ASN A 79 -6.866 0.927 -6.767 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -5.954 0.576 -7.503 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.789 2.012 -6.047 1.00 0.52 N ATOM 0 H ASN A 79 -7.261 -0.896 -4.486 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.937 1.234 -5.022 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.890 -0.939 -6.865 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.820 0.425 -7.453 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.952 2.593 -6.089 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -7.566 2.279 -5.442 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.325 -1.724 -5.510 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.589 -2.412 -5.662 1.00 0.42 C ATOM 1198 C GLY A 80 -12.544 -2.107 -4.530 1.00 0.45 C ATOM 1199 O GLY A 80 -13.734 -1.904 -4.751 1.00 0.53 O ATOM 0 H GLY A 80 -9.518 -2.342 -5.423 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -12.046 -2.124 -6.609 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.413 -3.487 -5.707 1.00 0.42 H new ATOM 1203 N ALA A 81 -12.018 -2.034 -3.323 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.829 -1.737 -2.157 1.00 0.52 C ATOM 1205 C ALA A 81 -13.298 -0.289 -2.188 1.00 0.51 C ATOM 1206 O ALA A 81 -14.437 0.020 -1.819 1.00 0.60 O ATOM 1207 CB ALA A 81 -12.055 -2.022 -0.890 1.00 0.59 C ATOM 0 H ALA A 81 -11.028 -2.177 -3.123 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.709 -2.380 -2.173 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -12.677 -1.794 -0.025 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.771 -3.074 -0.866 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -11.158 -1.404 -0.865 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.421 0.595 -2.638 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.731 2.000 -2.784 1.00 0.56 C ATOM 1215 C LEU A 82 -13.745 2.213 -3.893 1.00 0.59 C ATOM 1216 O LEU A 82 -14.584 3.085 -3.801 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.460 2.803 -3.070 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.442 2.892 -1.934 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -9.220 3.681 -2.373 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -11.069 3.528 -0.706 1.00 1.10 C ATOM 0 H LEU A 82 -11.469 0.351 -2.913 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.163 2.352 -1.847 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.967 2.364 -3.937 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.751 3.816 -3.348 1.00 0.63 H new ATOM 0 HG LEU A 82 -10.126 1.881 -1.677 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -8.506 3.734 -1.551 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -8.755 3.187 -3.226 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.521 4.689 -2.657 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -10.330 3.583 0.093 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -11.413 4.533 -0.952 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -11.915 2.925 -0.376 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.666 1.390 -4.923 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.570 1.445 -6.067 1.00 0.67 C ATOM 1234 C ALA A 83 -16.013 1.170 -5.665 1.00 0.72 C ATOM 1235 O ALA A 83 -16.940 1.650 -6.304 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.132 0.461 -7.136 1.00 0.76 C ATOM 0 H ALA A 83 -12.964 0.653 -4.993 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.524 2.457 -6.468 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -14.817 0.515 -7.982 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.124 0.710 -7.468 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.140 -0.549 -6.726 1.00 0.76 H new