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 Set 1.1: A 17 SER OG : rot 55:sc= 2.1 USER MOD Set 1.2: A 40 TYR OH : rot 47:sc= 2.25 USER MOD Set 1.3: A 48 THR OG1 : rot -76:sc= 1.02 USER MOD Single : A 6 THR OG1 : rot -66:sc= 1.17 USER MOD Single : A 7 THR OG1 : rot 172:sc= 1.27 USER MOD Single : A 42 SER OG : rot 180:sc=6.95e-05 USER MOD Single : A 46 MET CE :methyl 161:sc= -0.13 (180deg=-0.653) USER MOD Single : A 54 SER OG : rot 83:sc= 1.07 USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00375 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 79 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -9.826 6.532 -4.072 1.00 0.89 N ATOM 45 CA LEU A 4 -9.004 5.669 -4.785 1.00 0.69 C ATOM 46 C LEU A 4 -7.570 6.037 -4.514 1.00 0.63 C ATOM 47 O LEU A 4 -7.257 7.199 -4.221 1.00 0.87 O ATOM 48 CB LEU A 4 -9.267 5.807 -6.257 1.00 0.83 C ATOM 49 CG LEU A 4 -8.718 4.695 -7.072 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.556 3.438 -6.882 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.564 5.077 -8.526 1.00 1.51 C ATOM 0 HA LEU A 4 -9.203 4.642 -4.478 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.343 5.867 -6.420 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.839 6.746 -6.606 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.711 4.478 -6.717 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.142 2.630 -7.486 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.545 3.148 -5.831 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.582 3.634 -7.193 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.159 4.232 -9.083 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.537 5.349 -8.936 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -7.885 5.926 -8.609 1.00 1.51 H new ATOM 63 N LEU A 5 -6.720 5.080 -4.610 1.00 0.49 N ATOM 64 CA LEU A 5 -5.332 5.276 -4.434 1.00 0.44 C ATOM 65 C LEU A 5 -4.650 4.967 -5.726 1.00 0.39 C ATOM 66 O LEU A 5 -4.951 3.946 -6.350 1.00 0.42 O ATOM 67 CB LEU A 5 -4.793 4.333 -3.368 1.00 0.47 C ATOM 68 CG LEU A 5 -5.314 4.510 -1.950 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.677 3.485 -1.045 1.00 0.80 C ATOM 70 CD2 LEU A 5 -5.022 5.906 -1.442 1.00 0.79 C ATOM 0 H LEU A 5 -6.979 4.116 -4.818 1.00 0.49 H new ATOM 0 HA LEU A 5 -5.149 6.305 -4.125 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.009 3.312 -3.681 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.708 4.436 -3.344 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.395 4.368 -1.954 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.052 3.613 -0.029 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -4.924 2.484 -1.399 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.595 3.616 -1.052 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.403 6.011 -0.426 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.945 6.076 -1.445 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -5.507 6.637 -2.089 1.00 0.79 H new ATOM 82 N THR A 6 -3.804 5.840 -6.159 1.00 0.38 N ATOM 83 CA THR A 6 -2.996 5.572 -7.301 1.00 0.40 C ATOM 84 C THR A 6 -1.602 5.202 -6.815 1.00 0.34 C ATOM 85 O THR A 6 -1.396 5.097 -5.590 1.00 0.30 O ATOM 86 CB THR A 6 -2.961 6.763 -8.295 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.534 7.975 -7.631 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.332 6.987 -8.921 1.00 0.63 C ATOM 0 H THR A 6 -3.653 6.755 -5.734 1.00 0.38 H new ATOM 0 HA THR A 6 -3.428 4.742 -7.860 1.00 0.40 H new ATOM 0 HB THR A 6 -2.246 6.515 -9.080 1.00 0.51 H new ATOM 0 HG1 THR A 6 -3.204 8.237 -6.966 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.283 7.827 -9.614 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.637 6.090 -9.459 1.00 0.63 H new ATOM 0 HG23 THR A 6 -5.058 7.205 -8.138 1.00 0.63 H new ATOM 96 N THR A 7 -0.661 5.015 -7.717 1.00 0.37 N ATOM 97 CA THR A 7 0.704 4.685 -7.347 1.00 0.37 C ATOM 98 C THR A 7 1.282 5.770 -6.404 1.00 0.35 C ATOM 99 O THR A 7 1.894 5.460 -5.376 1.00 0.34 O ATOM 100 CB THR A 7 1.579 4.554 -8.600 1.00 0.48 C ATOM 101 OG1 THR A 7 0.897 3.726 -9.574 1.00 0.61 O ATOM 102 CG2 THR A 7 2.890 3.892 -8.231 1.00 0.56 C ATOM 0 H THR A 7 -0.817 5.086 -8.722 1.00 0.37 H new ATOM 0 HA THR A 7 0.700 3.730 -6.822 1.00 0.37 H new ATOM 0 HB THR A 7 1.767 5.544 -9.016 1.00 0.48 H new ATOM 0 HG1 THR A 7 1.387 3.748 -10.423 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.513 3.798 -9.120 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.407 4.499 -7.488 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.694 2.902 -7.819 1.00 0.56 H new ATOM 110 N ASP A 8 1.062 7.025 -6.774 1.00 0.43 N ATOM 111 CA ASP A 8 1.502 8.193 -6.004 1.00 0.50 C ATOM 112 C ASP A 8 0.940 8.164 -4.579 1.00 0.44 C ATOM 113 O ASP A 8 1.666 8.375 -3.610 1.00 0.46 O ATOM 114 CB ASP A 8 1.050 9.474 -6.716 1.00 0.67 C ATOM 115 CG ASP A 8 1.492 10.739 -6.019 1.00 1.08 C ATOM 116 OD1 ASP A 8 0.748 11.250 -5.157 1.00 1.65 O ATOM 117 OD2 ASP A 8 2.583 11.256 -6.346 1.00 1.26 O ATOM 0 H ASP A 8 0.565 7.269 -7.631 1.00 0.43 H new ATOM 0 HA ASP A 8 2.590 8.171 -5.937 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.443 9.473 -7.733 1.00 0.67 H new ATOM 0 HB3 ASP A 8 -0.037 9.473 -6.794 1.00 0.67 H new ATOM 122 N ASP A 9 -0.347 7.856 -4.465 1.00 0.42 N ATOM 123 CA ASP A 9 -1.034 7.799 -3.157 1.00 0.42 C ATOM 124 C ASP A 9 -0.494 6.656 -2.338 1.00 0.40 C ATOM 125 O ASP A 9 -0.302 6.770 -1.121 1.00 0.45 O ATOM 126 CB ASP A 9 -2.538 7.565 -3.311 1.00 0.46 C ATOM 127 CG ASP A 9 -3.258 8.607 -4.092 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.627 9.628 -3.506 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.455 8.452 -5.296 1.00 1.41 O ATOM 0 H ASP A 9 -0.948 7.639 -5.260 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.858 8.759 -2.672 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.693 6.599 -3.792 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -2.985 7.502 -2.319 1.00 0.46 H new ATOM 134 N LEU A 10 -0.246 5.552 -3.014 1.00 0.37 N ATOM 135 CA LEU A 10 0.232 4.346 -2.381 1.00 0.36 C ATOM 136 C LEU A 10 1.631 4.595 -1.829 1.00 0.36 C ATOM 137 O LEU A 10 1.953 4.193 -0.711 1.00 0.41 O ATOM 138 CB LEU A 10 0.265 3.209 -3.399 1.00 0.35 C ATOM 139 CG LEU A 10 0.110 1.813 -2.828 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.311 1.633 -2.305 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.446 0.762 -3.872 1.00 0.37 C ATOM 0 H LEU A 10 -0.372 5.469 -4.023 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.435 4.067 -1.565 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.529 3.374 -4.127 1.00 0.35 H new ATOM 0 HB3 LEU A 10 1.210 3.258 -3.941 1.00 0.35 H new ATOM 0 HG LEU A 10 0.808 1.686 -2.001 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.423 0.630 -1.894 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.507 2.368 -1.525 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.020 1.772 -3.121 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.328 -0.231 -3.439 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.225 0.869 -4.725 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.476 0.894 -4.202 1.00 0.37 H new ATOM 153 N ARG A 11 2.443 5.281 -2.633 1.00 0.36 N ATOM 154 CA ARG A 11 3.792 5.699 -2.260 1.00 0.38 C ATOM 155 C ARG A 11 3.743 6.457 -0.943 1.00 0.39 C ATOM 156 O ARG A 11 4.484 6.149 -0.016 1.00 0.41 O ATOM 157 CB ARG A 11 4.357 6.617 -3.341 1.00 0.42 C ATOM 158 CG ARG A 11 5.803 7.053 -3.135 1.00 0.52 C ATOM 159 CD ARG A 11 6.186 8.127 -4.144 1.00 0.71 C ATOM 160 NE ARG A 11 5.887 7.713 -5.522 1.00 1.21 N ATOM 161 CZ ARG A 11 5.184 8.446 -6.392 1.00 1.60 C ATOM 162 NH1 ARG A 11 4.998 9.739 -6.174 1.00 1.92 N ATOM 163 NH2 ARG A 11 4.769 7.907 -7.519 1.00 2.46 N ATOM 0 H ARG A 11 2.177 5.566 -3.576 1.00 0.36 H new ATOM 0 HA ARG A 11 4.426 4.818 -2.155 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.282 6.108 -4.302 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.731 7.508 -3.402 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.933 7.434 -2.122 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.466 6.194 -3.240 1.00 0.52 H new ATOM 0 HD2 ARG A 11 5.649 9.048 -3.916 1.00 0.71 H new ATOM 0 HD3 ARG A 11 7.250 8.348 -4.054 1.00 0.71 H new ATOM 0 HE ARG A 11 6.238 6.808 -5.835 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.391 10.178 -5.341 1.00 1.92 H new ATOM 0 HH12 ARG A 11 4.462 10.296 -6.839 1.00 1.92 H new ATOM 0 HH21 ARG A 11 4.984 6.932 -7.727 1.00 2.46 H new ATOM 0 HH22 ARG A 11 4.233 8.464 -8.184 1.00 2.46 H new ATOM 177 N ARG A 12 2.813 7.422 -0.878 1.00 0.42 N ATOM 178 CA ARG A 12 2.611 8.279 0.300 1.00 0.47 C ATOM 179 C ARG A 12 2.399 7.466 1.548 1.00 0.43 C ATOM 180 O ARG A 12 3.015 7.734 2.565 1.00 0.48 O ATOM 181 CB ARG A 12 1.414 9.206 0.102 1.00 0.60 C ATOM 182 CG ARG A 12 1.593 10.195 -1.009 1.00 1.18 C ATOM 183 CD ARG A 12 0.344 11.025 -1.231 1.00 1.47 C ATOM 184 NE ARG A 12 0.434 11.799 -2.471 1.00 2.25 N ATOM 185 CZ ARG A 12 0.246 13.111 -2.596 1.00 2.83 C ATOM 186 NH1 ARG A 12 -0.134 13.860 -1.561 1.00 2.60 N ATOM 187 NH2 ARG A 12 0.402 13.646 -3.782 1.00 3.93 N ATOM 0 H ARG A 12 2.176 7.631 -1.647 1.00 0.42 H new ATOM 0 HA ARG A 12 3.518 8.873 0.416 1.00 0.47 H new ATOM 0 HB2 ARG A 12 0.529 8.603 -0.100 1.00 0.60 H new ATOM 0 HB3 ARG A 12 1.227 9.746 1.030 1.00 0.60 H new ATOM 0 HG2 ARG A 12 2.431 10.853 -0.778 1.00 1.18 H new ATOM 0 HG3 ARG A 12 1.847 9.667 -1.928 1.00 1.18 H new ATOM 0 HD2 ARG A 12 -0.528 10.372 -1.270 1.00 1.47 H new ATOM 0 HD3 ARG A 12 0.199 11.700 -0.388 1.00 1.47 H new ATOM 0 HE ARG A 12 0.663 11.283 -3.321 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -0.287 13.430 -0.649 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -0.272 14.864 -1.681 1.00 2.60 H new ATOM 0 HH21 ARG A 12 0.660 13.060 -4.576 1.00 3.93 H new ATOM 0 HH22 ARG A 12 0.265 14.648 -3.911 1.00 3.93 H new ATOM 201 N ALA A 13 1.574 6.437 1.443 1.00 0.40 N ATOM 202 CA ALA A 13 1.255 5.587 2.572 1.00 0.42 C ATOM 203 C ALA A 13 2.503 4.896 3.094 1.00 0.41 C ATOM 204 O ALA A 13 2.752 4.893 4.303 1.00 0.50 O ATOM 205 CB ALA A 13 0.199 4.572 2.187 1.00 0.45 C ATOM 0 H ALA A 13 1.110 6.170 0.575 1.00 0.40 H new ATOM 0 HA ALA A 13 0.856 6.211 3.372 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.030 3.941 3.046 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.705 5.091 1.867 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.570 3.953 1.370 1.00 0.45 H new ATOM 211 N LEU A 14 3.307 4.346 2.183 1.00 0.38 N ATOM 212 CA LEU A 14 4.554 3.703 2.577 1.00 0.46 C ATOM 213 C LEU A 14 5.563 4.702 3.120 1.00 0.54 C ATOM 214 O LEU A 14 6.365 4.358 3.975 1.00 0.69 O ATOM 215 CB LEU A 14 5.191 2.828 1.481 1.00 0.48 C ATOM 216 CG LEU A 14 4.585 1.429 1.249 1.00 0.54 C ATOM 217 CD1 LEU A 14 3.210 1.484 0.629 1.00 1.21 C ATOM 218 CD2 LEU A 14 5.518 0.574 0.420 1.00 1.44 C ATOM 0 H LEU A 14 3.118 4.334 1.181 1.00 0.38 H new ATOM 0 HA LEU A 14 4.269 3.022 3.379 1.00 0.46 H new ATOM 0 HB2 LEU A 14 5.141 3.377 0.541 1.00 0.48 H new ATOM 0 HB3 LEU A 14 6.247 2.702 1.721 1.00 0.48 H new ATOM 0 HG LEU A 14 4.465 0.970 2.230 1.00 0.54 H new ATOM 0 HD11 LEU A 14 2.833 0.471 0.489 1.00 1.21 H new ATOM 0 HD12 LEU A 14 2.536 2.034 1.286 1.00 1.21 H new ATOM 0 HD13 LEU A 14 3.266 1.987 -0.336 1.00 1.21 H new ATOM 0 HD21 LEU A 14 5.072 -0.409 0.268 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.686 1.050 -0.546 1.00 1.44 H new ATOM 0 HD23 LEU A 14 6.469 0.464 0.940 1.00 1.44 H new ATOM 230 N VAL A 15 5.535 5.924 2.623 1.00 0.53 N ATOM 231 CA VAL A 15 6.397 6.974 3.154 1.00 0.63 C ATOM 232 C VAL A 15 5.989 7.254 4.602 1.00 0.66 C ATOM 233 O VAL A 15 6.831 7.239 5.513 1.00 0.80 O ATOM 234 CB VAL A 15 6.318 8.286 2.306 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.150 9.398 2.937 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.805 8.034 0.889 1.00 0.71 C ATOM 0 H VAL A 15 4.930 6.218 1.856 1.00 0.53 H new ATOM 0 HA VAL A 15 7.430 6.630 3.108 1.00 0.63 H new ATOM 0 HB VAL A 15 5.275 8.600 2.280 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.077 10.298 2.327 1.00 0.76 H new ATOM 0 HG12 VAL A 15 6.777 9.608 3.939 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.192 9.084 2.997 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.743 8.958 0.313 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.839 7.692 0.915 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.182 7.272 0.420 1.00 0.71 H new ATOM 246 N GLU A 16 4.685 7.432 4.809 1.00 0.62 N ATOM 247 CA GLU A 16 4.130 7.712 6.127 1.00 0.71 C ATOM 248 C GLU A 16 4.486 6.590 7.127 1.00 0.74 C ATOM 249 O GLU A 16 4.983 6.859 8.229 1.00 0.89 O ATOM 250 CB GLU A 16 2.598 7.864 6.067 1.00 0.79 C ATOM 251 CG GLU A 16 2.058 8.982 5.175 1.00 0.87 C ATOM 252 CD GLU A 16 0.550 9.138 5.307 1.00 1.20 C ATOM 253 OE1 GLU A 16 0.031 9.191 6.436 1.00 1.38 O ATOM 254 OE2 GLU A 16 -0.154 9.221 4.268 1.00 2.05 O ATOM 0 H GLU A 16 3.987 7.386 4.067 1.00 0.62 H new ATOM 0 HA GLU A 16 4.568 8.651 6.466 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.175 6.920 5.725 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.232 8.029 7.080 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.544 9.922 5.437 1.00 0.87 H new ATOM 0 HG3 GLU A 16 2.311 8.771 4.136 1.00 0.87 H new ATOM 261 N SER A 17 4.282 5.340 6.730 1.00 0.68 N ATOM 262 CA SER A 17 4.545 4.215 7.614 1.00 0.77 C ATOM 263 C SER A 17 6.047 3.931 7.809 1.00 0.89 C ATOM 264 O SER A 17 6.436 3.246 8.762 1.00 1.15 O ATOM 265 CB SER A 17 3.781 2.971 7.153 1.00 0.73 C ATOM 266 OG SER A 17 3.981 2.720 5.769 1.00 1.39 O ATOM 0 H SER A 17 3.937 5.082 5.806 1.00 0.68 H new ATOM 0 HA SER A 17 4.174 4.497 8.599 1.00 0.77 H new ATOM 0 HB2 SER A 17 4.108 2.107 7.731 1.00 0.73 H new ATOM 0 HB3 SER A 17 2.717 3.102 7.350 1.00 0.73 H new ATOM 0 HG SER A 17 4.941 2.659 5.583 1.00 1.39 H new ATOM 400 N ASP A 29 6.284 4.742 -10.470 1.00 0.70 N ATOM 401 CA ASP A 29 5.599 3.502 -10.264 1.00 0.64 C ATOM 402 C ASP A 29 6.538 2.506 -9.693 1.00 0.55 C ATOM 403 O ASP A 29 7.521 2.133 -10.325 1.00 0.74 O ATOM 404 CB ASP A 29 4.959 2.954 -11.539 1.00 0.80 C ATOM 405 CG ASP A 29 3.712 3.687 -11.956 1.00 1.29 C ATOM 406 OD1 ASP A 29 3.807 4.684 -12.700 1.00 1.68 O ATOM 407 OD2 ASP A 29 2.597 3.254 -11.586 1.00 2.07 O ATOM 0 HA ASP A 29 4.784 3.695 -9.566 1.00 0.64 H new ATOM 0 HB2 ASP A 29 5.686 3.003 -12.349 1.00 0.80 H new ATOM 0 HB3 ASP A 29 4.718 1.901 -11.390 1.00 0.80 H new ATOM 412 N PHE A 30 6.284 2.119 -8.477 1.00 0.39 N ATOM 413 CA PHE A 30 7.107 1.132 -7.830 1.00 0.34 C ATOM 414 C PHE A 30 6.324 -0.162 -7.704 1.00 0.31 C ATOM 415 O PHE A 30 6.708 -1.051 -6.987 1.00 0.31 O ATOM 416 CB PHE A 30 7.601 1.622 -6.442 1.00 0.35 C ATOM 417 CG PHE A 30 6.557 1.672 -5.339 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.586 2.663 -5.300 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.571 0.717 -4.330 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.651 2.695 -4.280 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.643 0.741 -3.311 1.00 0.38 C ATOM 422 CZ PHE A 30 4.679 1.731 -3.285 1.00 0.42 C ATOM 0 H PHE A 30 5.513 2.471 -7.910 1.00 0.39 H new ATOM 0 HA PHE A 30 7.995 0.960 -8.438 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.412 0.970 -6.117 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.022 2.620 -6.561 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.560 3.417 -6.073 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.323 -0.058 -4.344 1.00 0.34 H new ATOM 0 HE1 PHE A 30 3.900 3.471 -4.260 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.669 -0.011 -2.536 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.948 1.753 -2.490 1.00 0.42 H new ATOM 432 N LEU A 31 5.218 -0.240 -8.435 1.00 0.31 N ATOM 433 CA LEU A 31 4.310 -1.397 -8.417 1.00 0.31 C ATOM 434 C LEU A 31 5.013 -2.735 -8.691 1.00 0.31 C ATOM 435 O LEU A 31 4.543 -3.794 -8.248 1.00 0.35 O ATOM 436 CB LEU A 31 3.138 -1.202 -9.377 1.00 0.33 C ATOM 437 CG LEU A 31 2.240 0.012 -9.114 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.075 0.011 -10.072 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.736 0.021 -7.680 1.00 0.32 C ATOM 0 H LEU A 31 4.917 0.503 -9.066 1.00 0.31 H new ATOM 0 HA LEU A 31 3.927 -1.451 -7.398 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.534 -1.122 -10.389 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.519 -2.099 -9.348 1.00 0.33 H new ATOM 0 HG LEU A 31 2.833 0.913 -9.271 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.443 0.877 -9.877 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.446 0.055 -11.096 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.493 -0.901 -9.936 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.102 0.893 -7.523 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.160 -0.885 -7.491 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.584 0.061 -6.996 1.00 0.32 H new ATOM 451 N ASP A 32 6.116 -2.679 -9.416 1.00 0.31 N ATOM 452 CA ASP A 32 6.883 -3.870 -9.749 1.00 0.37 C ATOM 453 C ASP A 32 8.026 -4.088 -8.759 1.00 0.37 C ATOM 454 O ASP A 32 8.669 -5.144 -8.761 1.00 0.45 O ATOM 455 CB ASP A 32 7.428 -3.797 -11.185 1.00 0.48 C ATOM 456 CG ASP A 32 8.479 -2.729 -11.390 1.00 1.29 C ATOM 457 OD1 ASP A 32 8.136 -1.530 -11.316 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.663 -3.065 -11.575 1.00 1.83 O ATOM 0 H ASP A 32 6.505 -1.813 -9.789 1.00 0.31 H new ATOM 0 HA ASP A 32 6.206 -4.721 -9.682 1.00 0.37 H new ATOM 0 HB2 ASP A 32 7.852 -4.765 -11.452 1.00 0.48 H new ATOM 0 HB3 ASP A 32 6.599 -3.613 -11.868 1.00 0.48 H new ATOM 463 N LEU A 33 8.289 -3.101 -7.930 1.00 0.35 N ATOM 464 CA LEU A 33 9.284 -3.226 -6.883 1.00 0.37 C ATOM 465 C LEU A 33 8.664 -3.928 -5.714 1.00 0.34 C ATOM 466 O LEU A 33 7.735 -3.434 -5.093 1.00 0.40 O ATOM 467 CB LEU A 33 9.913 -1.883 -6.456 1.00 0.41 C ATOM 468 CG LEU A 33 10.977 -1.277 -7.394 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.395 -0.816 -8.717 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.705 -0.145 -6.700 1.00 1.27 C ATOM 0 H LEU A 33 7.823 -2.194 -7.961 1.00 0.35 H new ATOM 0 HA LEU A 33 10.113 -3.810 -7.284 1.00 0.37 H new ATOM 0 HB2 LEU A 33 9.110 -1.155 -6.340 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.365 -2.018 -5.474 1.00 0.41 H new ATOM 0 HG LEU A 33 11.689 -2.068 -7.628 1.00 0.51 H new ATOM 0 HD11 LEU A 33 11.188 -0.398 -9.337 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.941 -1.664 -9.230 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.637 -0.054 -8.535 1.00 1.37 H new ATOM 0 HD21 LEU A 33 12.453 0.273 -7.373 1.00 1.27 H new ATOM 0 HD22 LEU A 33 10.991 0.631 -6.423 1.00 1.27 H new ATOM 0 HD23 LEU A 33 12.195 -0.524 -5.803 1.00 1.27 H new ATOM 482 N ARG A 34 9.178 -5.066 -5.423 1.00 0.33 N ATOM 483 CA ARG A 34 8.618 -5.937 -4.427 1.00 0.34 C ATOM 484 C ARG A 34 8.937 -5.427 -3.041 1.00 0.29 C ATOM 485 O ARG A 34 9.982 -4.805 -2.829 1.00 0.34 O ATOM 486 CB ARG A 34 9.199 -7.308 -4.649 1.00 0.47 C ATOM 487 CG ARG A 34 8.930 -7.822 -6.051 1.00 0.61 C ATOM 488 CD ARG A 34 9.890 -8.909 -6.414 1.00 1.10 C ATOM 489 NE ARG A 34 11.266 -8.420 -6.388 1.00 1.91 N ATOM 490 CZ ARG A 34 12.313 -9.131 -5.987 1.00 3.03 C ATOM 491 NH1 ARG A 34 12.135 -10.332 -5.434 1.00 3.63 N ATOM 492 NH2 ARG A 34 13.534 -8.620 -6.103 1.00 3.94 N ATOM 0 H ARG A 34 10.016 -5.436 -5.872 1.00 0.33 H new ATOM 0 HA ARG A 34 7.532 -5.973 -4.511 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.275 -7.278 -4.475 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.777 -8.002 -3.922 1.00 0.47 H new ATOM 0 HG2 ARG A 34 7.909 -8.197 -6.115 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.015 -7.003 -6.765 1.00 0.61 H new ATOM 0 HD2 ARG A 34 9.783 -9.742 -5.719 1.00 1.10 H new ATOM 0 HD3 ARG A 34 9.654 -9.291 -7.407 1.00 1.10 H new ATOM 0 HE ARG A 34 11.435 -7.464 -6.700 1.00 1.91 H new ATOM 0 HH11 ARG A 34 11.193 -10.706 -5.319 1.00 3.63 H new ATOM 0 HH12 ARG A 34 12.941 -10.876 -5.127 1.00 3.63 H new ATOM 0 HH21 ARG A 34 13.661 -7.688 -6.498 1.00 3.94 H new ATOM 0 HH22 ARG A 34 14.344 -9.160 -5.797 1.00 3.94 H new ATOM 506 N PHE A 35 8.055 -5.700 -2.097 1.00 0.25 N ATOM 507 CA PHE A 35 8.205 -5.197 -0.741 1.00 0.24 C ATOM 508 C PHE A 35 9.477 -5.729 -0.097 1.00 0.27 C ATOM 509 O PHE A 35 10.178 -4.986 0.586 1.00 0.29 O ATOM 510 CB PHE A 35 6.994 -5.520 0.133 1.00 0.26 C ATOM 511 CG PHE A 35 5.682 -5.084 -0.433 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.369 -3.750 -0.490 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.768 -6.006 -0.910 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.173 -3.329 -1.008 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.563 -5.588 -1.431 1.00 0.32 C ATOM 516 CZ PHE A 35 3.248 -4.314 -1.481 1.00 0.35 C ATOM 0 H PHE A 35 7.222 -6.270 -2.244 1.00 0.25 H new ATOM 0 HA PHE A 35 8.277 -4.112 -0.816 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.962 -6.596 0.302 1.00 0.26 H new ATOM 0 HB3 PHE A 35 7.129 -5.048 1.106 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.076 -3.021 -0.121 1.00 0.32 H new ATOM 0 HD2 PHE A 35 5.000 -7.060 -0.874 1.00 0.27 H new ATOM 0 HE1 PHE A 35 3.933 -2.277 -1.059 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.864 -6.322 -1.805 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.291 -4.009 -1.879 1.00 0.35 H new ATOM 526 N GLU A 36 9.793 -7.008 -0.339 1.00 0.37 N ATOM 527 CA GLU A 36 11.039 -7.607 0.177 1.00 0.47 C ATOM 528 C GLU A 36 12.270 -6.836 -0.318 1.00 0.46 C ATOM 529 O GLU A 36 13.256 -6.679 0.396 1.00 0.51 O ATOM 530 CB GLU A 36 11.170 -9.101 -0.191 1.00 0.64 C ATOM 531 CG GLU A 36 11.250 -9.392 -1.686 1.00 1.56 C ATOM 532 CD GLU A 36 11.583 -10.834 -1.976 1.00 2.12 C ATOM 533 OE1 GLU A 36 12.779 -11.174 -2.079 1.00 2.79 O ATOM 534 OE2 GLU A 36 10.655 -11.655 -2.098 1.00 2.45 O ATOM 0 H GLU A 36 9.212 -7.646 -0.883 1.00 0.37 H new ATOM 0 HA GLU A 36 10.988 -7.536 1.264 1.00 0.47 H new ATOM 0 HB2 GLU A 36 12.062 -9.501 0.290 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.317 -9.638 0.223 1.00 0.64 H new ATOM 0 HG2 GLU A 36 10.298 -9.141 -2.153 1.00 1.56 H new ATOM 0 HG3 GLU A 36 12.006 -8.750 -2.138 1.00 1.56 H new ATOM 541 N ASP A 37 12.152 -6.292 -1.509 1.00 0.44 N ATOM 542 CA ASP A 37 13.240 -5.604 -2.177 1.00 0.50 C ATOM 543 C ASP A 37 13.365 -4.163 -1.690 1.00 0.48 C ATOM 544 O ASP A 37 14.447 -3.572 -1.716 1.00 0.60 O ATOM 545 CB ASP A 37 13.026 -5.669 -3.686 1.00 0.57 C ATOM 546 CG ASP A 37 14.058 -4.913 -4.473 1.00 0.68 C ATOM 547 OD1 ASP A 37 15.234 -5.309 -4.459 1.00 0.74 O ATOM 548 OD2 ASP A 37 13.727 -3.881 -5.083 1.00 0.88 O ATOM 0 H ASP A 37 11.287 -6.314 -2.050 1.00 0.44 H new ATOM 0 HA ASP A 37 14.179 -6.100 -1.934 1.00 0.50 H new ATOM 0 HB2 ASP A 37 13.034 -6.712 -4.001 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.039 -5.272 -3.922 1.00 0.57 H new ATOM 553 N ILE A 38 12.270 -3.602 -1.218 1.00 0.40 N ATOM 554 CA ILE A 38 12.300 -2.255 -0.648 1.00 0.42 C ATOM 555 C ILE A 38 12.385 -2.301 0.882 1.00 0.42 C ATOM 556 O ILE A 38 12.213 -1.286 1.560 1.00 0.50 O ATOM 557 CB ILE A 38 11.107 -1.356 -1.086 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.760 -1.995 -0.708 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.170 -1.055 -2.576 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.551 -1.154 -1.062 1.00 0.60 C ATOM 0 H ILE A 38 11.352 -4.047 -1.214 1.00 0.40 H new ATOM 0 HA ILE A 38 13.202 -1.795 -1.051 1.00 0.42 H new ATOM 0 HB ILE A 38 11.188 -0.411 -0.549 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.676 -2.960 -1.208 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.751 -2.190 0.364 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.325 -0.425 -2.856 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.101 -0.535 -2.803 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.129 -1.988 -3.138 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.643 -1.677 -0.762 1.00 0.60 H new ATOM 0 HD12 ILE A 38 8.608 -0.198 -0.541 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.531 -0.981 -2.138 1.00 0.60 H new ATOM 572 N GLY A 39 12.714 -3.476 1.407 1.00 0.42 N ATOM 573 CA GLY A 39 12.863 -3.666 2.843 1.00 0.50 C ATOM 574 C GLY A 39 11.579 -3.419 3.613 1.00 0.47 C ATOM 575 O GLY A 39 11.590 -2.794 4.674 1.00 0.66 O ATOM 0 H GLY A 39 12.883 -4.316 0.854 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.205 -4.683 3.035 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.637 -2.994 3.214 1.00 0.50 H new ATOM 579 N TYR A 40 10.483 -3.877 3.073 1.00 0.36 N ATOM 580 CA TYR A 40 9.198 -3.729 3.702 1.00 0.36 C ATOM 581 C TYR A 40 8.649 -5.089 4.050 1.00 0.42 C ATOM 582 O TYR A 40 8.396 -5.909 3.164 1.00 0.59 O ATOM 583 CB TYR A 40 8.232 -2.995 2.768 1.00 0.36 C ATOM 584 CG TYR A 40 7.735 -1.692 3.325 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.535 -0.562 3.306 1.00 0.70 C ATOM 586 CD2 TYR A 40 6.470 -1.593 3.886 1.00 0.64 C ATOM 587 CE1 TYR A 40 8.096 0.630 3.831 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.021 -0.405 4.421 1.00 0.90 C ATOM 589 CZ TYR A 40 6.833 0.703 4.392 1.00 1.04 C ATOM 590 OH TYR A 40 6.391 1.882 4.953 1.00 1.33 O ATOM 0 H TYR A 40 10.455 -4.367 2.179 1.00 0.36 H new ATOM 0 HA TYR A 40 9.312 -3.142 4.613 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.730 -2.808 1.817 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.379 -3.641 2.560 1.00 0.36 H new ATOM 0 HD1 TYR A 40 9.522 -0.618 2.871 1.00 0.70 H new ATOM 0 HD2 TYR A 40 5.827 -2.461 3.904 1.00 0.64 H new ATOM 0 HE1 TYR A 40 8.732 1.503 3.806 1.00 0.95 H new ATOM 0 HE2 TYR A 40 5.036 -0.345 4.861 1.00 0.90 H new ATOM 0 HH TYR A 40 6.586 2.626 4.346 1.00 1.33 H new ATOM 600 N ASP A 41 8.521 -5.361 5.320 1.00 0.42 N ATOM 601 CA ASP A 41 7.965 -6.625 5.762 1.00 0.51 C ATOM 602 C ASP A 41 6.479 -6.522 5.806 1.00 0.44 C ATOM 603 O ASP A 41 5.932 -5.419 5.921 1.00 0.38 O ATOM 604 CB ASP A 41 8.456 -7.035 7.147 1.00 0.67 C ATOM 605 CG ASP A 41 9.938 -7.253 7.233 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.425 -8.319 6.772 1.00 1.06 O ATOM 607 OD2 ASP A 41 10.651 -6.361 7.733 1.00 0.99 O ATOM 0 H ASP A 41 8.792 -4.728 6.073 1.00 0.42 H new ATOM 0 HA ASP A 41 8.294 -7.382 5.050 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.171 -6.265 7.864 1.00 0.67 H new ATOM 0 HB3 ASP A 41 7.947 -7.952 7.444 1.00 0.67 H new ATOM 612 N SER A 42 5.825 -7.651 5.724 1.00 0.51 N ATOM 613 CA SER A 42 4.380 -7.740 5.773 1.00 0.48 C ATOM 614 C SER A 42 3.774 -7.047 7.005 1.00 0.41 C ATOM 615 O SER A 42 2.709 -6.476 6.918 1.00 0.37 O ATOM 616 CB SER A 42 3.951 -9.188 5.669 1.00 0.59 C ATOM 617 OG SER A 42 4.654 -9.981 6.620 1.00 1.03 O ATOM 0 H SER A 42 6.286 -8.555 5.619 1.00 0.51 H new ATOM 0 HA SER A 42 3.987 -7.194 4.915 1.00 0.48 H new ATOM 0 HB2 SER A 42 2.878 -9.270 5.840 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.143 -9.560 4.662 1.00 0.59 H new ATOM 0 HG SER A 42 4.366 -10.915 6.544 1.00 1.03 H new ATOM 623 N LEU A 43 4.482 -7.078 8.136 1.00 0.45 N ATOM 624 CA LEU A 43 3.992 -6.449 9.363 1.00 0.46 C ATOM 625 C LEU A 43 3.917 -4.934 9.149 1.00 0.41 C ATOM 626 O LEU A 43 2.881 -4.310 9.408 1.00 0.41 O ATOM 627 CB LEU A 43 4.922 -6.825 10.554 1.00 0.59 C ATOM 628 CG LEU A 43 4.459 -6.498 12.005 1.00 0.75 C ATOM 629 CD1 LEU A 43 4.450 -5.003 12.312 1.00 1.56 C ATOM 630 CD2 LEU A 43 3.091 -7.110 12.280 1.00 1.24 C ATOM 0 H LEU A 43 5.392 -7.530 8.227 1.00 0.45 H new ATOM 0 HA LEU A 43 2.992 -6.809 9.605 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.107 -7.898 10.501 1.00 0.59 H new ATOM 0 HB3 LEU A 43 5.879 -6.328 10.394 1.00 0.59 H new ATOM 0 HG LEU A 43 5.196 -6.945 12.673 1.00 0.75 H new ATOM 0 HD11 LEU A 43 4.118 -4.844 13.338 1.00 1.56 H new ATOM 0 HD12 LEU A 43 5.455 -4.600 12.189 1.00 1.56 H new ATOM 0 HD13 LEU A 43 3.770 -4.495 11.628 1.00 1.56 H new ATOM 0 HD21 LEU A 43 2.784 -6.871 13.298 1.00 1.24 H new ATOM 0 HD22 LEU A 43 2.363 -6.705 11.577 1.00 1.24 H new ATOM 0 HD23 LEU A 43 3.146 -8.192 12.162 1.00 1.24 H new ATOM 642 N ALA A 44 5.001 -4.360 8.633 1.00 0.39 N ATOM 643 CA ALA A 44 5.051 -2.936 8.330 1.00 0.39 C ATOM 644 C ALA A 44 4.012 -2.603 7.273 1.00 0.34 C ATOM 645 O ALA A 44 3.307 -1.618 7.377 1.00 0.40 O ATOM 646 CB ALA A 44 6.440 -2.542 7.854 1.00 0.43 C ATOM 0 H ALA A 44 5.860 -4.865 8.416 1.00 0.39 H new ATOM 0 HA ALA A 44 4.830 -2.371 9.236 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.460 -1.475 7.632 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.168 -2.764 8.634 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.689 -3.104 6.954 1.00 0.43 H new ATOM 652 N LEU A 45 3.899 -3.493 6.300 1.00 0.29 N ATOM 653 CA LEU A 45 2.956 -3.381 5.199 1.00 0.28 C ATOM 654 C LEU A 45 1.503 -3.352 5.710 1.00 0.25 C ATOM 655 O LEU A 45 0.680 -2.561 5.228 1.00 0.26 O ATOM 656 CB LEU A 45 3.177 -4.564 4.253 1.00 0.30 C ATOM 657 CG LEU A 45 2.253 -4.693 3.052 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.364 -3.480 2.156 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.592 -5.955 2.286 1.00 0.38 C ATOM 0 H LEU A 45 4.475 -4.334 6.253 1.00 0.29 H new ATOM 0 HA LEU A 45 3.125 -2.444 4.668 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.201 -4.511 3.884 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.096 -5.480 4.838 1.00 0.30 H new ATOM 0 HG LEU A 45 1.223 -4.754 3.403 1.00 0.33 H new ATOM 0 HD11 LEU A 45 1.694 -3.595 1.304 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.088 -2.587 2.717 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.390 -3.383 1.801 1.00 0.43 H new ATOM 0 HD21 LEU A 45 1.930 -6.047 1.425 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.626 -5.907 1.945 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.465 -6.821 2.936 1.00 0.38 H new ATOM 671 N MET A 46 1.200 -4.196 6.693 1.00 0.24 N ATOM 672 CA MET A 46 -0.132 -4.217 7.301 1.00 0.23 C ATOM 673 C MET A 46 -0.434 -2.892 7.944 1.00 0.25 C ATOM 674 O MET A 46 -1.534 -2.410 7.847 1.00 0.27 O ATOM 675 CB MET A 46 -0.292 -5.305 8.358 1.00 0.27 C ATOM 676 CG MET A 46 -0.190 -6.726 7.855 1.00 0.34 C ATOM 677 SD MET A 46 -0.301 -7.932 9.197 1.00 0.50 S ATOM 678 CE MET A 46 -1.949 -7.593 9.830 1.00 1.49 C ATOM 0 H MET A 46 1.854 -4.873 7.086 1.00 0.24 H new ATOM 0 HA MET A 46 -0.828 -4.427 6.488 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.467 -5.155 9.125 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.261 -5.178 8.840 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.986 -6.913 7.134 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.755 -6.857 7.328 1.00 0.34 H new ATOM 0 HE1 MET A 46 -2.297 -8.445 10.414 1.00 1.49 H new ATOM 0 HE2 MET A 46 -1.920 -6.707 10.464 1.00 1.49 H new ATOM 0 HE3 MET A 46 -2.631 -7.421 8.997 1.00 1.49 H new ATOM 688 N GLU A 47 0.561 -2.318 8.601 1.00 0.29 N ATOM 689 CA GLU A 47 0.427 -1.028 9.272 1.00 0.34 C ATOM 690 C GLU A 47 0.178 0.094 8.242 1.00 0.32 C ATOM 691 O GLU A 47 -0.578 1.034 8.486 1.00 0.36 O ATOM 692 CB GLU A 47 1.680 -0.745 10.085 1.00 0.45 C ATOM 693 CG GLU A 47 1.603 0.498 10.934 1.00 0.58 C ATOM 694 CD GLU A 47 2.894 0.777 11.628 1.00 1.03 C ATOM 695 OE1 GLU A 47 3.149 0.199 12.703 1.00 1.25 O ATOM 696 OE2 GLU A 47 3.696 1.572 11.111 1.00 1.88 O ATOM 0 H GLU A 47 1.489 -2.732 8.686 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.430 -1.062 9.945 1.00 0.34 H new ATOM 0 HB2 GLU A 47 1.880 -1.600 10.731 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.527 -0.654 9.405 1.00 0.45 H new ATOM 0 HG2 GLU A 47 1.336 1.349 10.308 1.00 0.58 H new ATOM 0 HG3 GLU A 47 0.810 0.384 11.673 1.00 0.58 H new ATOM 703 N THR A 48 0.791 -0.052 7.094 1.00 0.30 N ATOM 704 CA THR A 48 0.669 0.874 5.985 1.00 0.33 C ATOM 705 C THR A 48 -0.768 0.842 5.532 1.00 0.29 C ATOM 706 O THR A 48 -1.466 1.867 5.494 1.00 0.33 O ATOM 707 CB THR A 48 1.563 0.406 4.817 1.00 0.36 C ATOM 708 OG1 THR A 48 2.907 0.268 5.259 1.00 0.42 O ATOM 709 CG2 THR A 48 1.510 1.394 3.674 1.00 0.45 C ATOM 0 H THR A 48 1.408 -0.840 6.895 1.00 0.30 H new ATOM 0 HA THR A 48 0.971 1.876 6.289 1.00 0.33 H new ATOM 0 HB THR A 48 1.192 -0.558 4.468 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.315 1.155 5.347 1.00 0.42 H new ATOM 0 HG21 THR A 48 2.147 1.045 2.861 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.484 1.483 3.318 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.861 2.367 4.018 1.00 0.45 H new ATOM 717 N ALA A 49 -1.195 -0.357 5.195 1.00 0.25 N ATOM 718 CA ALA A 49 -2.541 -0.633 4.805 1.00 0.24 C ATOM 719 C ALA A 49 -3.501 -0.202 5.906 1.00 0.22 C ATOM 720 O ALA A 49 -4.556 0.296 5.623 1.00 0.23 O ATOM 721 CB ALA A 49 -2.679 -2.117 4.509 1.00 0.27 C ATOM 0 H ALA A 49 -0.592 -1.180 5.188 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.790 -0.071 3.905 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.705 -2.335 4.211 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.000 -2.392 3.702 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.432 -2.691 5.402 1.00 0.27 H new ATOM 727 N ALA A 50 -3.087 -0.377 7.161 1.00 0.23 N ATOM 728 CA ALA A 50 -3.878 -0.010 8.325 1.00 0.26 C ATOM 729 C ALA A 50 -4.235 1.469 8.341 1.00 0.28 C ATOM 730 O ALA A 50 -5.368 1.854 8.666 1.00 0.30 O ATOM 731 CB ALA A 50 -3.203 -0.417 9.623 1.00 0.33 C ATOM 0 H ALA A 50 -2.181 -0.783 7.396 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.810 -0.569 8.245 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.829 -0.124 10.466 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -3.060 -1.498 9.636 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.235 0.078 9.700 1.00 0.33 H new ATOM 737 N ARG A 51 -3.271 2.292 7.969 1.00 0.31 N ATOM 738 CA ARG A 51 -3.459 3.736 7.900 1.00 0.37 C ATOM 739 C ARG A 51 -4.514 4.032 6.847 1.00 0.36 C ATOM 740 O ARG A 51 -5.420 4.838 7.049 1.00 0.40 O ATOM 741 CB ARG A 51 -2.138 4.418 7.516 1.00 0.45 C ATOM 742 CG ARG A 51 -0.996 4.120 8.472 1.00 0.54 C ATOM 743 CD ARG A 51 0.308 4.765 8.030 1.00 0.70 C ATOM 744 NE ARG A 51 0.246 6.231 8.053 1.00 1.59 N ATOM 745 CZ ARG A 51 0.819 7.006 8.991 1.00 1.76 C ATOM 746 NH1 ARG A 51 1.460 6.455 10.022 1.00 1.27 N ATOM 747 NH2 ARG A 51 0.774 8.324 8.868 1.00 2.84 N ATOM 0 H ARG A 51 -2.336 1.982 7.706 1.00 0.31 H new ATOM 0 HA ARG A 51 -3.779 4.117 8.870 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.853 4.099 6.513 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.294 5.496 7.476 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.256 4.477 9.468 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.859 3.041 8.546 1.00 0.54 H new ATOM 0 HD2 ARG A 51 1.115 4.428 8.681 1.00 0.70 H new ATOM 0 HD3 ARG A 51 0.551 4.431 7.022 1.00 0.70 H new ATOM 0 HE ARG A 51 -0.268 6.695 7.304 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.518 5.440 10.103 1.00 1.27 H new ATOM 0 HH12 ARG A 51 1.892 7.049 10.730 1.00 1.27 H new ATOM 0 HH21 ARG A 51 0.307 8.746 8.065 1.00 2.84 H new ATOM 0 HH22 ARG A 51 1.207 8.917 9.576 1.00 2.84 H new ATOM 761 N LEU A 52 -4.400 3.322 5.753 1.00 0.32 N ATOM 762 CA LEU A 52 -5.308 3.413 4.637 1.00 0.34 C ATOM 763 C LEU A 52 -6.711 2.909 5.019 1.00 0.33 C ATOM 764 O LEU A 52 -7.720 3.532 4.655 1.00 0.37 O ATOM 765 CB LEU A 52 -4.712 2.635 3.466 1.00 0.35 C ATOM 766 CG LEU A 52 -3.386 3.196 2.940 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.790 2.285 1.891 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.584 4.602 2.380 1.00 0.69 C ATOM 0 H LEU A 52 -3.651 2.645 5.610 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.434 4.455 4.341 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.558 1.601 3.774 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.435 2.620 2.650 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.687 3.251 3.775 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -1.850 2.706 1.535 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.606 1.302 2.325 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.484 2.189 1.056 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.632 4.984 2.011 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.304 4.570 1.562 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.958 5.258 3.166 1.00 0.69 H new ATOM 780 N GLU A 53 -6.759 1.798 5.772 1.00 0.29 N ATOM 781 CA GLU A 53 -8.013 1.225 6.286 1.00 0.32 C ATOM 782 C GLU A 53 -8.761 2.263 7.082 1.00 0.35 C ATOM 783 O GLU A 53 -9.922 2.551 6.815 1.00 0.42 O ATOM 784 CB GLU A 53 -7.761 0.026 7.217 1.00 0.32 C ATOM 785 CG GLU A 53 -7.111 -1.187 6.593 1.00 0.34 C ATOM 786 CD GLU A 53 -6.937 -2.296 7.603 1.00 0.40 C ATOM 787 OE1 GLU A 53 -5.984 -2.248 8.405 1.00 0.46 O ATOM 788 OE2 GLU A 53 -7.763 -3.221 7.639 1.00 0.48 O ATOM 0 H GLU A 53 -5.928 1.271 6.042 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.587 0.895 5.420 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.135 0.362 8.043 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.716 -0.280 7.645 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.720 -1.542 5.762 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.140 -0.911 6.182 1.00 0.34 H new ATOM 795 N SER A 54 -8.069 2.833 8.031 1.00 0.35 N ATOM 796 CA SER A 54 -8.621 3.820 8.923 1.00 0.41 C ATOM 797 C SER A 54 -9.075 5.077 8.157 1.00 0.45 C ATOM 798 O SER A 54 -10.197 5.564 8.332 1.00 0.55 O ATOM 799 CB SER A 54 -7.554 4.174 9.954 1.00 0.47 C ATOM 800 OG SER A 54 -7.023 2.994 10.549 1.00 1.19 O ATOM 0 H SER A 54 -7.087 2.621 8.210 1.00 0.35 H new ATOM 0 HA SER A 54 -9.504 3.414 9.417 1.00 0.41 H new ATOM 0 HB2 SER A 54 -6.753 4.740 9.478 1.00 0.47 H new ATOM 0 HB3 SER A 54 -7.983 4.815 10.724 1.00 0.47 H new ATOM 0 HG SER A 54 -6.330 2.617 9.967 1.00 1.19 H new ATOM 806 N ARG A 55 -8.220 5.548 7.277 1.00 0.44 N ATOM 807 CA ARG A 55 -8.443 6.773 6.526 1.00 0.54 C ATOM 808 C ARG A 55 -9.634 6.661 5.567 1.00 0.56 C ATOM 809 O ARG A 55 -10.490 7.554 5.510 1.00 0.68 O ATOM 810 CB ARG A 55 -7.175 7.115 5.761 1.00 0.63 C ATOM 811 CG ARG A 55 -7.159 8.478 5.110 1.00 0.83 C ATOM 812 CD ARG A 55 -5.794 8.760 4.524 1.00 1.08 C ATOM 813 NE ARG A 55 -4.731 8.620 5.531 1.00 1.65 N ATOM 814 CZ ARG A 55 -3.420 8.821 5.308 1.00 2.21 C ATOM 815 NH1 ARG A 55 -2.994 9.375 4.177 1.00 2.35 N ATOM 816 NH2 ARG A 55 -2.541 8.520 6.245 1.00 3.07 N ATOM 0 H ARG A 55 -7.337 5.088 7.057 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.686 7.568 7.231 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -6.329 7.048 6.445 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -7.022 6.361 4.989 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -7.916 8.524 4.327 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -7.413 9.243 5.844 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -5.604 8.076 3.697 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -5.776 9.769 4.113 1.00 1.08 H new ATOM 0 HE ARG A 55 -5.010 8.349 6.474 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -3.665 9.655 3.462 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -1.996 9.520 4.024 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -2.856 8.136 7.136 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -1.546 8.671 6.079 1.00 3.07 H new ATOM 830 N TYR A 56 -9.704 5.569 4.839 1.00 0.50 N ATOM 831 CA TYR A 56 -10.739 5.394 3.834 1.00 0.57 C ATOM 832 C TYR A 56 -11.917 4.589 4.328 1.00 0.61 C ATOM 833 O TYR A 56 -12.823 4.275 3.563 1.00 0.74 O ATOM 834 CB TYR A 56 -10.157 4.812 2.549 1.00 0.62 C ATOM 835 CG TYR A 56 -9.205 5.767 1.884 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.661 6.823 1.108 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.841 5.581 2.001 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.774 7.663 0.470 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.955 6.418 1.378 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.490 7.592 0.708 1.00 0.91 C ATOM 841 OH TYR A 56 -6.524 8.274 -0.027 1.00 1.01 O ATOM 0 H TYR A 56 -9.057 4.785 4.921 1.00 0.50 H new ATOM 0 HA TYR A 56 -11.131 6.387 3.613 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.639 3.880 2.774 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.967 4.568 1.861 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.723 6.989 1.003 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.467 4.760 2.595 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -9.145 8.391 -0.237 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.895 6.213 1.384 1.00 0.85 H new ATOM 0 HH TYR A 56 -5.635 8.070 0.332 1.00 1.01 H new ATOM 851 N GLY A 57 -11.907 4.277 5.609 1.00 0.58 N ATOM 852 CA GLY A 57 -13.000 3.558 6.220 1.00 0.66 C ATOM 853 C GLY A 57 -13.197 2.197 5.609 1.00 0.71 C ATOM 854 O GLY A 57 -14.299 1.853 5.180 1.00 0.93 O ATOM 0 H GLY A 57 -11.148 4.513 6.248 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.810 3.451 7.288 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.917 4.137 6.116 1.00 0.66 H new ATOM 858 N VAL A 58 -12.143 1.439 5.560 1.00 0.60 N ATOM 859 CA VAL A 58 -12.171 0.112 4.994 1.00 0.65 C ATOM 860 C VAL A 58 -11.481 -0.851 5.925 1.00 0.60 C ATOM 861 O VAL A 58 -10.952 -0.441 6.962 1.00 0.70 O ATOM 862 CB VAL A 58 -11.513 0.016 3.568 1.00 0.69 C ATOM 863 CG1 VAL A 58 -12.262 0.849 2.555 1.00 1.09 C ATOM 864 CG2 VAL A 58 -10.045 0.426 3.597 1.00 1.16 C ATOM 0 H VAL A 58 -11.229 1.721 5.913 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.223 -0.146 4.872 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.571 -1.030 3.266 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -11.780 0.759 1.582 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -13.291 0.497 2.484 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -12.257 1.893 2.867 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -9.625 0.347 2.594 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -9.962 1.456 3.945 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -9.497 -0.231 4.273 1.00 1.16 H new ATOM 874 N SER A 59 -11.492 -2.094 5.576 1.00 0.62 N ATOM 875 CA SER A 59 -10.808 -3.091 6.320 1.00 0.67 C ATOM 876 C SER A 59 -10.207 -4.078 5.337 1.00 0.59 C ATOM 877 O SER A 59 -10.882 -4.529 4.397 1.00 0.72 O ATOM 878 CB SER A 59 -11.759 -3.783 7.305 1.00 0.92 C ATOM 879 OG SER A 59 -11.055 -4.669 8.159 1.00 1.87 O ATOM 0 H SER A 59 -11.983 -2.448 4.755 1.00 0.62 H new ATOM 0 HA SER A 59 -10.014 -2.642 6.916 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.277 -3.033 7.902 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.521 -4.334 6.753 1.00 0.92 H new ATOM 0 HG SER A 59 -11.684 -5.096 8.778 1.00 1.87 H new ATOM 885 N ILE A 60 -8.951 -4.348 5.502 1.00 0.48 N ATOM 886 CA ILE A 60 -8.223 -5.236 4.636 1.00 0.45 C ATOM 887 C ILE A 60 -7.954 -6.545 5.361 1.00 0.51 C ATOM 888 O ILE A 60 -7.397 -6.531 6.464 1.00 0.57 O ATOM 889 CB ILE A 60 -6.886 -4.579 4.201 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.178 -3.285 3.428 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.042 -5.540 3.356 1.00 0.43 C ATOM 892 CD1 ILE A 60 -5.954 -2.465 3.121 1.00 0.41 C ATOM 0 H ILE A 60 -8.387 -3.953 6.255 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.817 -5.437 3.744 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.308 -4.340 5.094 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.677 -3.538 2.493 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.874 -2.678 4.007 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.112 -5.050 3.067 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.816 -6.433 3.938 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.597 -5.821 2.461 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.245 -1.568 2.574 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.465 -2.179 4.052 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.265 -3.053 2.514 1.00 0.41 H new ATOM 904 N PRO A 61 -8.375 -7.686 4.779 1.00 0.58 N ATOM 905 CA PRO A 61 -8.142 -9.015 5.360 1.00 0.66 C ATOM 906 C PRO A 61 -6.659 -9.243 5.679 1.00 0.56 C ATOM 907 O PRO A 61 -5.792 -9.067 4.812 1.00 0.44 O ATOM 908 CB PRO A 61 -8.602 -9.969 4.255 1.00 0.78 C ATOM 909 CG PRO A 61 -9.615 -9.193 3.493 1.00 0.87 C ATOM 910 CD PRO A 61 -9.141 -7.770 3.514 1.00 0.66 C ATOM 0 HA PRO A 61 -8.669 -9.153 6.304 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.770 -10.269 3.618 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.031 -10.881 4.671 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.702 -9.561 2.471 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.601 -9.283 3.949 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.517 -7.541 2.650 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.975 -7.068 3.501 1.00 0.66 H new ATOM 918 N ASP A 62 -6.392 -9.617 6.922 1.00 0.67 N ATOM 919 CA ASP A 62 -5.032 -9.844 7.463 1.00 0.67 C ATOM 920 C ASP A 62 -4.197 -10.812 6.623 1.00 0.54 C ATOM 921 O ASP A 62 -2.968 -10.674 6.558 1.00 0.52 O ATOM 922 CB ASP A 62 -5.075 -10.311 8.936 1.00 0.90 C ATOM 923 CG ASP A 62 -5.719 -11.673 9.135 1.00 1.18 C ATOM 924 OD1 ASP A 62 -6.942 -11.814 8.904 1.00 1.29 O ATOM 925 OD2 ASP A 62 -5.004 -12.638 9.482 1.00 1.83 O ATOM 0 H ASP A 62 -7.126 -9.779 7.612 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.536 -8.875 7.415 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -4.058 -10.341 9.327 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -5.621 -9.573 9.524 1.00 0.90 H new ATOM 930 N ASP A 63 -4.845 -11.772 5.968 1.00 0.56 N ATOM 931 CA ASP A 63 -4.125 -12.705 5.100 1.00 0.55 C ATOM 932 C ASP A 63 -3.636 -11.972 3.880 1.00 0.44 C ATOM 933 O ASP A 63 -2.464 -12.019 3.555 1.00 0.46 O ATOM 934 CB ASP A 63 -5.015 -13.877 4.646 1.00 0.75 C ATOM 935 CG ASP A 63 -4.276 -14.870 3.739 1.00 1.54 C ATOM 936 OD1 ASP A 63 -4.176 -14.618 2.527 1.00 2.34 O ATOM 937 OD2 ASP A 63 -3.778 -15.917 4.221 1.00 1.84 O ATOM 0 H ASP A 63 -5.852 -11.925 6.019 1.00 0.56 H new ATOM 0 HA ASP A 63 -3.292 -13.112 5.673 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -5.390 -14.404 5.524 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.882 -13.484 4.116 1.00 0.75 H new ATOM 942 N VAL A 64 -4.532 -11.207 3.278 1.00 0.41 N ATOM 943 CA VAL A 64 -4.259 -10.517 2.026 1.00 0.40 C ATOM 944 C VAL A 64 -3.302 -9.346 2.254 1.00 0.34 C ATOM 945 O VAL A 64 -2.447 -9.054 1.408 1.00 0.41 O ATOM 946 CB VAL A 64 -5.568 -10.011 1.357 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.285 -9.394 -0.005 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.580 -11.141 1.226 1.00 0.66 C ATOM 0 H VAL A 64 -5.471 -11.046 3.643 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.790 -11.234 1.353 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.992 -9.239 1.999 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.219 -9.049 -0.449 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.605 -8.550 0.112 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -4.828 -10.140 -0.655 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.488 -10.764 0.755 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.158 -11.938 0.614 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.819 -11.531 2.215 1.00 0.66 H new ATOM 958 N ALA A 65 -3.415 -8.725 3.421 1.00 0.33 N ATOM 959 CA ALA A 65 -2.554 -7.608 3.821 1.00 0.39 C ATOM 960 C ALA A 65 -1.075 -8.005 3.798 1.00 0.41 C ATOM 961 O ALA A 65 -0.206 -7.171 3.604 1.00 0.51 O ATOM 962 CB ALA A 65 -2.947 -7.104 5.203 1.00 0.46 C ATOM 0 H ALA A 65 -4.109 -8.980 4.124 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.694 -6.804 3.099 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.299 -6.275 5.486 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.983 -6.765 5.186 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.841 -7.911 5.928 1.00 0.46 H new ATOM 968 N GLY A 66 -0.809 -9.283 3.995 1.00 0.40 N ATOM 969 CA GLY A 66 0.539 -9.770 3.944 1.00 0.48 C ATOM 970 C GLY A 66 0.693 -10.830 2.880 1.00 0.48 C ATOM 971 O GLY A 66 1.631 -11.617 2.910 1.00 0.61 O ATOM 0 H GLY A 66 -1.514 -9.994 4.191 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.220 -8.944 3.740 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.818 -10.181 4.914 1.00 0.48 H new ATOM 975 N ARG A 67 -0.234 -10.859 1.946 1.00 0.43 N ATOM 976 CA ARG A 67 -0.234 -11.860 0.876 1.00 0.48 C ATOM 977 C ARG A 67 0.318 -11.239 -0.388 1.00 0.36 C ATOM 978 O ARG A 67 0.746 -11.933 -1.311 1.00 0.40 O ATOM 979 CB ARG A 67 -1.676 -12.349 0.627 1.00 0.64 C ATOM 980 CG ARG A 67 -1.822 -13.547 -0.302 1.00 1.16 C ATOM 981 CD ARG A 67 -1.069 -14.747 0.239 1.00 1.45 C ATOM 982 NE ARG A 67 -1.485 -15.101 1.605 1.00 2.16 N ATOM 983 CZ ARG A 67 -0.677 -15.640 2.524 1.00 3.05 C ATOM 984 NH1 ARG A 67 0.626 -15.812 2.262 1.00 3.43 N ATOM 985 NH2 ARG A 67 -1.168 -16.009 3.700 1.00 3.98 N ATOM 0 H ARG A 67 -1.009 -10.198 1.898 1.00 0.43 H new ATOM 0 HA ARG A 67 0.387 -12.707 1.167 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -2.124 -12.602 1.588 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -2.253 -11.522 0.214 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -2.877 -13.796 -0.417 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -1.445 -13.292 -1.292 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -1.230 -15.601 -0.420 1.00 1.45 H new ATOM 0 HD3 ARG A 67 0.000 -14.535 0.231 1.00 1.45 H new ATOM 0 HE ARG A 67 -2.454 -14.923 1.869 1.00 2.16 H new ATOM 0 HH11 ARG A 67 1.006 -15.531 1.358 1.00 3.43 H new ATOM 0 HH12 ARG A 67 1.238 -16.224 2.967 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -2.160 -15.881 3.901 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -0.554 -16.420 4.403 1.00 3.98 H new ATOM 999 N VAL A 68 0.302 -9.935 -0.415 1.00 0.33 N ATOM 1000 CA VAL A 68 0.737 -9.178 -1.559 1.00 0.34 C ATOM 1001 C VAL A 68 2.259 -9.085 -1.626 1.00 0.35 C ATOM 1002 O VAL A 68 2.923 -8.688 -0.670 1.00 0.44 O ATOM 1003 CB VAL A 68 0.091 -7.770 -1.583 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.413 -7.892 -1.784 1.00 0.38 C ATOM 1005 CG2 VAL A 68 0.365 -6.997 -0.302 1.00 0.41 C ATOM 0 H VAL A 68 -0.017 -9.360 0.365 1.00 0.33 H new ATOM 0 HA VAL A 68 0.401 -9.714 -2.447 1.00 0.34 H new ATOM 0 HB VAL A 68 0.538 -7.221 -2.412 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -1.860 -6.898 -1.800 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.614 -8.395 -2.730 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -1.844 -8.470 -0.967 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.106 -6.016 -0.361 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.043 -7.544 0.548 1.00 0.41 H new ATOM 0 HG23 VAL A 68 1.441 -6.876 -0.173 1.00 0.41 H new ATOM 1015 N ASP A 69 2.795 -9.519 -2.732 1.00 0.36 N ATOM 1016 CA ASP A 69 4.233 -9.510 -2.962 1.00 0.40 C ATOM 1017 C ASP A 69 4.637 -8.238 -3.632 1.00 0.32 C ATOM 1018 O ASP A 69 5.754 -7.730 -3.434 1.00 0.32 O ATOM 1019 CB ASP A 69 4.664 -10.655 -3.877 1.00 0.57 C ATOM 1020 CG ASP A 69 4.249 -12.028 -3.422 1.00 1.13 C ATOM 1021 OD1 ASP A 69 4.827 -12.553 -2.448 1.00 1.27 O ATOM 1022 OD2 ASP A 69 3.328 -12.612 -4.052 1.00 1.91 O ATOM 0 H ASP A 69 2.253 -9.893 -3.511 1.00 0.36 H new ATOM 0 HA ASP A 69 4.709 -9.615 -1.987 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.253 -10.479 -4.871 1.00 0.57 H new ATOM 0 HB3 ASP A 69 5.750 -10.634 -3.973 1.00 0.57 H new ATOM 1027 N THR A 70 3.752 -7.725 -4.428 1.00 0.32 N ATOM 1028 CA THR A 70 4.009 -6.558 -5.192 1.00 0.31 C ATOM 1029 C THR A 70 2.944 -5.502 -4.923 1.00 0.27 C ATOM 1030 O THR A 70 1.776 -5.836 -4.655 1.00 0.29 O ATOM 1031 CB THR A 70 4.064 -6.918 -6.692 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.916 -7.714 -7.036 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.329 -7.693 -7.011 1.00 0.47 C ATOM 0 H THR A 70 2.819 -8.115 -4.563 1.00 0.32 H new ATOM 0 HA THR A 70 4.974 -6.143 -4.899 1.00 0.31 H new ATOM 0 HB THR A 70 4.064 -5.995 -7.272 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.949 -7.942 -7.989 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.348 -7.937 -8.073 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.200 -7.086 -6.762 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.349 -8.613 -6.427 1.00 0.47 H new ATOM 1041 N PRO A 71 3.336 -4.216 -4.934 1.00 0.25 N ATOM 1042 CA PRO A 71 2.430 -3.089 -4.716 1.00 0.24 C ATOM 1043 C PRO A 71 1.235 -3.097 -5.644 1.00 0.21 C ATOM 1044 O PRO A 71 0.172 -2.651 -5.260 1.00 0.25 O ATOM 1045 CB PRO A 71 3.305 -1.867 -4.968 1.00 0.29 C ATOM 1046 CG PRO A 71 4.668 -2.338 -4.652 1.00 0.32 C ATOM 1047 CD PRO A 71 4.720 -3.759 -5.111 1.00 0.30 C ATOM 0 HA PRO A 71 1.995 -3.117 -3.717 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.229 -1.527 -6.001 1.00 0.29 H new ATOM 0 HB3 PRO A 71 3.014 -1.029 -4.334 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.419 -1.734 -5.161 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.870 -2.264 -3.583 1.00 0.32 H new ATOM 0 HD2 PRO A 71 5.040 -3.836 -6.150 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.419 -4.349 -4.518 1.00 0.30 H new ATOM 1055 N ARG A 72 1.417 -3.605 -6.866 1.00 0.22 N ATOM 1056 CA ARG A 72 0.314 -3.728 -7.831 1.00 0.26 C ATOM 1057 C ARG A 72 -0.890 -4.477 -7.230 1.00 0.25 C ATOM 1058 O ARG A 72 -2.038 -4.049 -7.385 1.00 0.29 O ATOM 1059 CB ARG A 72 0.771 -4.374 -9.150 1.00 0.40 C ATOM 1060 CG ARG A 72 1.371 -5.763 -9.023 1.00 0.92 C ATOM 1061 CD ARG A 72 1.727 -6.358 -10.378 1.00 0.95 C ATOM 1062 NE ARG A 72 2.733 -5.568 -11.111 1.00 0.67 N ATOM 1063 CZ ARG A 72 3.808 -6.084 -11.732 1.00 0.93 C ATOM 1064 NH1 ARG A 72 3.997 -7.404 -11.763 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.667 -5.286 -12.355 1.00 1.29 N ATOM 0 H ARG A 72 2.316 -3.938 -7.213 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.013 -2.715 -8.064 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.084 -4.427 -9.824 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.507 -3.721 -9.619 1.00 0.40 H new ATOM 0 HG2 ARG A 72 2.265 -5.716 -8.402 1.00 0.92 H new ATOM 0 HG3 ARG A 72 0.664 -6.418 -8.514 1.00 0.92 H new ATOM 0 HD2 ARG A 72 2.103 -7.371 -10.236 1.00 0.95 H new ATOM 0 HD3 ARG A 72 0.823 -6.435 -10.983 1.00 0.95 H new ATOM 0 HE ARG A 72 2.604 -4.557 -11.150 1.00 0.67 H new ATOM 0 HH11 ARG A 72 3.325 -8.026 -11.314 1.00 1.48 H new ATOM 0 HH12 ARG A 72 4.814 -7.791 -12.235 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.512 -4.278 -12.364 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.481 -5.681 -12.825 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.600 -5.565 -6.517 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.608 -6.396 -5.865 1.00 0.28 C ATOM 1081 C GLU A 73 -2.316 -5.599 -4.780 1.00 0.26 C ATOM 1082 O GLU A 73 -3.541 -5.547 -4.717 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.928 -7.595 -5.212 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.198 -8.516 -6.153 1.00 0.44 C ATOM 1085 CD GLU A 73 -1.114 -9.254 -7.076 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -1.911 -10.090 -6.600 1.00 1.24 O ATOM 1087 OE2 GLU A 73 -1.076 -9.000 -8.296 1.00 2.13 O ATOM 0 H GLU A 73 0.354 -5.897 -6.375 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.329 -6.726 -6.612 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.221 -7.229 -4.468 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.683 -8.173 -4.678 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.512 -7.936 -6.742 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.381 -9.235 -5.573 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.515 -4.939 -3.961 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.003 -4.185 -2.823 1.00 0.28 C ATOM 1096 C LEU A 74 -2.831 -2.985 -3.301 1.00 0.26 C ATOM 1097 O LEU A 74 -3.898 -2.699 -2.749 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.783 -3.789 -1.924 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.031 -3.041 -0.586 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.313 -1.574 -0.797 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.155 -3.701 0.210 1.00 0.90 C ATOM 0 H LEU A 74 -0.501 -4.912 -4.069 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.676 -4.787 -2.212 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.238 -4.704 -1.691 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.120 -3.169 -2.527 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.110 -3.112 -0.007 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.480 -1.093 0.167 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.462 -1.107 -1.293 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.202 -1.460 -1.418 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.308 -3.158 1.142 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.074 -3.684 -0.375 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.886 -4.734 0.432 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.344 -2.317 -4.336 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.037 -1.199 -4.949 1.00 0.23 C ATOM 1115 C LEU A 75 -4.420 -1.644 -5.403 1.00 0.24 C ATOM 1116 O LEU A 75 -5.426 -1.050 -5.025 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.244 -0.670 -6.153 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.797 0.591 -6.812 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.729 1.758 -5.850 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.043 0.906 -8.091 1.00 0.34 C ATOM 0 H LEU A 75 -1.451 -2.539 -4.775 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.132 -0.399 -4.214 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.222 -0.470 -5.831 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.193 -1.458 -6.905 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.841 0.415 -7.071 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.126 2.651 -6.333 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.319 1.532 -4.962 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.692 1.932 -5.562 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.454 1.808 -8.543 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -0.989 1.063 -7.863 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.144 0.073 -8.787 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.449 -2.731 -6.169 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.692 -3.302 -6.705 1.00 0.25 C ATOM 1134 C ASP A 76 -6.651 -3.704 -5.597 1.00 0.27 C ATOM 1135 O ASP A 76 -7.845 -3.404 -5.666 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.398 -4.511 -7.598 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.656 -5.236 -8.046 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.347 -4.740 -8.966 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -6.998 -6.278 -7.471 1.00 0.57 O ATOM 0 H ASP A 76 -3.611 -3.246 -6.439 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.168 -2.524 -7.302 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.843 -4.181 -8.476 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.756 -5.207 -7.058 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.121 -4.332 -4.559 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.921 -4.779 -3.430 1.00 0.36 C ATOM 1146 C LEU A 77 -7.618 -3.579 -2.781 1.00 0.34 C ATOM 1147 O LEU A 77 -8.835 -3.607 -2.539 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.023 -5.551 -2.416 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.705 -6.318 -1.242 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.275 -5.392 -0.171 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -7.788 -7.246 -1.773 1.00 1.96 C ATOM 0 H LEU A 77 -5.127 -4.546 -4.476 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.695 -5.466 -3.773 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.431 -6.271 -2.981 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.325 -4.835 -1.982 1.00 0.47 H new ATOM 0 HG LEU A 77 -5.925 -6.907 -0.760 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -7.736 -5.988 0.617 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -6.472 -4.788 0.252 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.025 -4.738 -0.617 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.254 -7.774 -0.941 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.542 -6.661 -2.300 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.344 -7.968 -2.458 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.874 -2.519 -2.551 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.436 -1.334 -1.941 1.00 0.34 C ATOM 1165 C ILE A 78 -8.360 -0.605 -2.928 1.00 0.31 C ATOM 1166 O ILE A 78 -9.394 -0.081 -2.540 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.340 -0.395 -1.380 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.474 -1.181 -0.387 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -6.973 0.813 -0.684 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.334 -0.397 0.212 1.00 0.55 C ATOM 0 H ILE A 78 -5.881 -2.453 -2.776 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.037 -1.652 -1.089 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.722 -0.029 -2.200 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.110 -1.545 0.420 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.068 -2.057 -0.893 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.188 1.462 -0.296 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.582 1.367 -1.399 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.601 0.471 0.139 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -3.778 -1.033 0.901 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.671 -0.055 -0.582 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.728 0.464 0.751 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.005 -0.624 -4.208 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.857 -0.038 -5.263 1.00 0.31 C ATOM 1184 C ASN A 79 -10.216 -0.720 -5.289 1.00 0.32 C ATOM 1185 O ASN A 79 -11.246 -0.062 -5.426 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.199 -0.127 -6.659 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.174 0.973 -6.971 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -6.987 1.330 -8.129 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.534 1.530 -5.969 1.00 0.52 N ATOM 0 H ASN A 79 -7.137 -1.036 -4.550 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.984 1.017 -5.022 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.707 -1.096 -6.750 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.983 -0.095 -7.415 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.863 2.278 -6.145 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.708 1.215 -5.015 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.204 -2.036 -5.126 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.424 -2.808 -5.085 1.00 0.42 C ATOM 1198 C GLY A 80 -12.229 -2.555 -3.820 1.00 0.45 C ATOM 1199 O GLY A 80 -13.453 -2.613 -3.835 1.00 0.53 O ATOM 0 H GLY A 80 -9.353 -2.588 -5.020 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -12.034 -2.565 -5.955 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.182 -3.869 -5.152 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.547 -2.282 -2.721 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.220 -1.961 -1.464 1.00 0.52 C ATOM 1205 C ALA A 81 -12.855 -0.576 -1.561 1.00 0.51 C ATOM 1206 O ALA A 81 -14.029 -0.377 -1.249 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.240 -2.030 -0.298 1.00 0.59 C ATOM 0 H ALA A 81 -10.528 -2.275 -2.669 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.005 -2.695 -1.282 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -11.760 -1.788 0.629 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -10.826 -3.036 -0.230 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.433 -1.315 -0.459 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.081 0.358 -2.072 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.503 1.745 -2.256 1.00 0.56 C ATOM 1215 C LEU A 82 -13.507 1.886 -3.413 1.00 0.59 C ATOM 1216 O LEU A 82 -14.016 2.966 -3.690 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.274 2.660 -2.438 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.561 3.168 -1.151 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -10.206 2.047 -0.196 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -9.310 3.946 -1.516 1.00 1.10 C ATOM 0 H LEU A 82 -11.125 0.180 -2.378 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.027 2.065 -1.355 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.541 2.123 -3.039 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.585 3.530 -3.016 1.00 0.63 H new ATOM 0 HG LEU A 82 -11.268 3.820 -0.637 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -9.711 2.461 0.683 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -11.114 1.528 0.110 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.536 1.345 -0.692 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -8.821 4.296 -0.607 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -8.628 3.300 -2.069 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -9.581 4.802 -2.134 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.720 0.798 -4.130 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.778 0.715 -5.121 1.00 0.67 C ATOM 1234 C ALA A 83 -16.136 0.715 -4.431 1.00 0.72 C ATOM 1235 O ALA A 83 -17.143 1.133 -4.995 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.624 -0.535 -5.973 1.00 0.76 C ATOM 0 H ALA A 83 -13.165 -0.053 -4.042 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.708 1.584 -5.775 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.428 -0.576 -6.708 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.663 -0.509 -6.487 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.671 -1.418 -5.335 1.00 0.76 H new