USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 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 110:sc= -0.361 USER MOD Set 1.2: A 48 THR OG1 : rot 67:sc= 0.521 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00408 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0349 USER MOD Single : A 40 TYR OH : rot -25:sc= -1.47! USER MOD Single : A 42 SER OG : rot -67:sc= 0.0104 USER MOD Single : A 46 MET CE :methyl -131:sc= -3.29! (180deg=-5.49!) USER MOD Single : A 54 SER OG : rot 84:sc= 0.663 USER MOD Single : A 56 TYR OH : rot -50:sc= 1.97 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 79 ASN : amide:sc= 0.483 K(o=0.48,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.071 -6.614 -1.331 1.00 0.66 N ATOM 45 CA LEU A 4 10.979 -6.347 -2.221 1.00 0.56 C ATOM 46 C LEU A 4 9.725 -6.872 -1.599 1.00 0.50 C ATOM 47 O LEU A 4 9.555 -8.075 -1.455 1.00 0.76 O ATOM 48 CB LEU A 4 11.190 -6.955 -3.607 1.00 0.65 C ATOM 49 CG LEU A 4 12.422 -6.481 -4.379 1.00 0.79 C ATOM 50 CD1 LEU A 4 12.443 -7.109 -5.756 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.451 -4.961 -4.484 1.00 0.86 C ATOM 0 HA LEU A 4 10.909 -5.270 -2.371 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.251 -8.038 -3.499 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.307 -6.744 -4.210 1.00 0.65 H new ATOM 0 HG LEU A 4 13.312 -6.795 -3.833 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.324 -6.766 -6.299 1.00 0.96 H new ATOM 0 HD12 LEU A 4 12.476 -8.194 -5.660 1.00 0.96 H new ATOM 0 HD13 LEU A 4 11.545 -6.820 -6.302 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.337 -4.651 -5.038 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.558 -4.615 -5.005 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.478 -4.528 -3.484 1.00 0.86 H new ATOM 63 N LEU A 5 8.876 -5.976 -1.173 1.00 0.36 N ATOM 64 CA LEU A 5 7.642 -6.356 -0.529 1.00 0.36 C ATOM 65 C LEU A 5 6.728 -7.025 -1.524 1.00 0.39 C ATOM 66 O LEU A 5 6.601 -6.565 -2.666 1.00 0.52 O ATOM 67 CB LEU A 5 6.926 -5.144 0.056 1.00 0.42 C ATOM 68 CG LEU A 5 7.713 -4.267 1.022 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.792 -3.241 1.627 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.394 -5.089 2.108 1.00 0.54 C ATOM 0 H LEU A 5 9.016 -4.969 -1.260 1.00 0.36 H new ATOM 0 HA LEU A 5 7.889 -7.044 0.280 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.591 -4.518 -0.771 1.00 0.42 H new ATOM 0 HB3 LEU A 5 6.033 -5.496 0.571 1.00 0.42 H new ATOM 0 HG LEU A 5 8.503 -3.764 0.464 1.00 0.51 H new ATOM 0 HD11 LEU A 5 7.352 -2.612 2.319 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.367 -2.622 0.837 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.989 -3.745 2.164 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.944 -4.426 2.775 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.641 -5.634 2.678 1.00 0.54 H new ATOM 0 HD23 LEU A 5 9.085 -5.797 1.649 1.00 0.54 H new ATOM 82 N THR A 6 6.124 -8.086 -1.120 1.00 0.36 N ATOM 83 CA THR A 6 5.201 -8.780 -1.953 1.00 0.41 C ATOM 84 C THR A 6 3.791 -8.342 -1.604 1.00 0.30 C ATOM 85 O THR A 6 3.598 -7.436 -0.750 1.00 0.24 O ATOM 86 CB THR A 6 5.318 -10.304 -1.756 1.00 0.56 C ATOM 87 OG1 THR A 6 5.103 -10.609 -0.367 1.00 0.59 O ATOM 88 CG2 THR A 6 6.690 -10.808 -2.182 1.00 0.79 C ATOM 0 H THR A 6 6.255 -8.501 -0.198 1.00 0.36 H new ATOM 0 HA THR A 6 5.427 -8.545 -2.993 1.00 0.41 H new ATOM 0 HB THR A 6 4.569 -10.798 -2.375 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.173 -11.577 -0.230 1.00 0.59 H new ATOM 0 HG21 THR A 6 6.744 -11.886 -2.032 1.00 0.79 H new ATOM 0 HG22 THR A 6 6.850 -10.580 -3.236 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.459 -10.319 -1.584 1.00 0.79 H new ATOM 96 N THR A 7 2.811 -8.963 -2.225 1.00 0.33 N ATOM 97 CA THR A 7 1.429 -8.714 -1.928 1.00 0.32 C ATOM 98 C THR A 7 1.093 -9.004 -0.433 1.00 0.24 C ATOM 99 O THR A 7 0.117 -8.487 0.100 1.00 0.26 O ATOM 100 CB THR A 7 0.524 -9.522 -2.869 1.00 0.44 C ATOM 101 OG1 THR A 7 1.051 -9.401 -4.194 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.885 -8.960 -2.869 1.00 0.55 C ATOM 0 H THR A 7 2.959 -9.660 -2.955 1.00 0.33 H new ATOM 0 HA THR A 7 1.240 -7.653 -2.094 1.00 0.32 H new ATOM 0 HB THR A 7 0.493 -10.560 -2.538 1.00 0.44 H new ATOM 0 HG1 THR A 7 0.491 -9.910 -4.816 1.00 0.55 H new ATOM 0 HG21 THR A 7 -1.511 -9.546 -3.542 1.00 0.55 H new ATOM 0 HG22 THR A 7 -1.295 -9.006 -1.860 1.00 0.55 H new ATOM 0 HG23 THR A 7 -0.863 -7.923 -3.205 1.00 0.55 H new ATOM 110 N ASP A 8 1.947 -9.788 0.244 1.00 0.28 N ATOM 111 CA ASP A 8 1.751 -10.107 1.658 1.00 0.31 C ATOM 112 C ASP A 8 1.943 -8.874 2.519 1.00 0.24 C ATOM 113 O ASP A 8 1.086 -8.543 3.348 1.00 0.28 O ATOM 114 CB ASP A 8 2.697 -11.207 2.125 1.00 0.46 C ATOM 115 CG ASP A 8 2.565 -11.468 3.613 1.00 0.94 C ATOM 116 OD1 ASP A 8 1.622 -12.179 4.018 1.00 1.01 O ATOM 117 OD2 ASP A 8 3.386 -10.943 4.396 1.00 1.61 O ATOM 0 H ASP A 8 2.778 -10.210 -0.169 1.00 0.28 H new ATOM 0 HA ASP A 8 0.728 -10.467 1.765 1.00 0.31 H new ATOM 0 HB2 ASP A 8 2.488 -12.124 1.575 1.00 0.46 H new ATOM 0 HB3 ASP A 8 3.724 -10.925 1.895 1.00 0.46 H new ATOM 122 N ASP A 9 3.043 -8.168 2.285 1.00 0.24 N ATOM 123 CA ASP A 9 3.360 -6.942 3.028 1.00 0.28 C ATOM 124 C ASP A 9 2.368 -5.870 2.730 1.00 0.24 C ATOM 125 O ASP A 9 2.000 -5.085 3.611 1.00 0.30 O ATOM 126 CB ASP A 9 4.767 -6.429 2.720 1.00 0.38 C ATOM 127 CG ASP A 9 5.839 -7.100 3.528 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.279 -8.208 3.170 1.00 1.78 O ATOM 129 OD2 ASP A 9 6.279 -6.517 4.543 1.00 1.12 O ATOM 0 H ASP A 9 3.738 -8.421 1.583 1.00 0.24 H new ATOM 0 HA ASP A 9 3.315 -7.198 4.086 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.975 -6.577 1.660 1.00 0.38 H new ATOM 0 HB3 ASP A 9 4.802 -5.355 2.905 1.00 0.38 H new ATOM 134 N LEU A 10 1.922 -5.840 1.491 1.00 0.19 N ATOM 135 CA LEU A 10 0.933 -4.886 1.063 1.00 0.23 C ATOM 136 C LEU A 10 -0.392 -5.193 1.763 1.00 0.24 C ATOM 137 O LEU A 10 -1.028 -4.302 2.311 1.00 0.30 O ATOM 138 CB LEU A 10 0.789 -4.929 -0.459 1.00 0.27 C ATOM 139 CG LEU A 10 -0.086 -3.850 -1.094 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.462 -2.459 -0.789 1.00 0.47 C ATOM 141 CD2 LEU A 10 -0.163 -4.066 -2.588 1.00 0.47 C ATOM 0 H LEU A 10 2.237 -6.476 0.758 1.00 0.19 H new ATOM 0 HA LEU A 10 1.242 -3.877 1.335 1.00 0.23 H new ATOM 0 HB2 LEU A 10 1.785 -4.862 -0.897 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.384 -5.902 -0.736 1.00 0.27 H new ATOM 0 HG LEU A 10 -1.088 -3.921 -0.670 1.00 0.38 H new ATOM 0 HD11 LEU A 10 -0.177 -1.707 -1.251 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.482 -2.304 0.290 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.473 -2.371 -1.187 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.788 -3.294 -3.036 1.00 0.47 H new ATOM 0 HD22 LEU A 10 0.839 -4.015 -3.015 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.595 -5.046 -2.792 1.00 0.47 H new ATOM 153 N ARG A 11 -0.779 -6.474 1.758 1.00 0.24 N ATOM 154 CA ARG A 11 -1.964 -6.952 2.479 1.00 0.30 C ATOM 155 C ARG A 11 -1.910 -6.520 3.930 1.00 0.33 C ATOM 156 O ARG A 11 -2.825 -5.873 4.429 1.00 0.38 O ATOM 157 CB ARG A 11 -2.075 -8.484 2.403 1.00 0.36 C ATOM 158 CG ARG A 11 -3.147 -9.067 3.311 1.00 0.51 C ATOM 159 CD ARG A 11 -3.266 -10.572 3.171 1.00 0.73 C ATOM 160 NE ARG A 11 -2.027 -11.298 3.475 1.00 0.97 N ATOM 161 CZ ARG A 11 -1.961 -12.625 3.638 1.00 1.30 C ATOM 162 NH1 ARG A 11 -3.087 -13.345 3.708 1.00 1.81 N ATOM 163 NH2 ARG A 11 -0.792 -13.218 3.803 1.00 1.98 N ATOM 0 H ARG A 11 -0.280 -7.207 1.255 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.842 -6.514 2.004 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.287 -8.773 1.374 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.112 -8.922 2.665 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -2.917 -8.818 4.347 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.107 -8.606 3.078 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -4.055 -10.927 3.833 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -3.574 -10.809 2.153 1.00 0.73 H new ATOM 0 HE ARG A 11 -1.166 -10.760 3.567 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -3.993 -12.882 3.637 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -3.039 -14.356 3.832 1.00 1.81 H new ATOM 0 HH21 ARG A 11 0.065 -12.664 3.807 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -0.746 -14.229 3.927 1.00 1.98 H new ATOM 177 N ARG A 12 -0.812 -6.867 4.584 1.00 0.33 N ATOM 178 CA ARG A 12 -0.589 -6.537 5.976 1.00 0.39 C ATOM 179 C ARG A 12 -0.682 -5.042 6.246 1.00 0.39 C ATOM 180 O ARG A 12 -1.135 -4.635 7.312 1.00 0.48 O ATOM 181 CB ARG A 12 0.719 -7.142 6.489 1.00 0.49 C ATOM 182 CG ARG A 12 0.599 -8.613 6.862 1.00 0.77 C ATOM 183 CD ARG A 12 1.933 -9.200 7.282 1.00 0.90 C ATOM 184 NE ARG A 12 1.766 -10.445 8.052 1.00 1.28 N ATOM 185 CZ ARG A 12 2.579 -11.506 7.994 1.00 1.77 C ATOM 186 NH1 ARG A 12 3.368 -11.684 6.944 1.00 2.08 N ATOM 187 NH2 ARG A 12 2.495 -12.458 8.921 1.00 2.59 N ATOM 0 H ARG A 12 -0.047 -7.389 4.157 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.400 -6.992 6.545 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.487 -7.030 5.724 1.00 0.49 H new ATOM 0 HB3 ARG A 12 1.053 -6.580 7.361 1.00 0.49 H new ATOM 0 HG2 ARG A 12 -0.119 -8.724 7.675 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.207 -9.172 6.012 1.00 0.77 H new ATOM 0 HD2 ARG A 12 2.537 -9.399 6.397 1.00 0.90 H new ATOM 0 HD3 ARG A 12 2.477 -8.472 7.883 1.00 0.90 H new ATOM 0 HE ARG A 12 0.965 -10.503 8.681 1.00 1.28 H new ATOM 0 HH11 ARG A 12 3.356 -11.011 6.177 1.00 2.08 H new ATOM 0 HH12 ARG A 12 3.987 -12.494 6.903 1.00 2.08 H new ATOM 0 HH21 ARG A 12 1.812 -12.378 9.674 1.00 2.59 H new ATOM 0 HH22 ARG A 12 3.114 -13.268 8.878 1.00 2.59 H new ATOM 201 N ALA A 13 -0.276 -4.238 5.286 1.00 0.35 N ATOM 202 CA ALA A 13 -0.386 -2.801 5.404 1.00 0.41 C ATOM 203 C ALA A 13 -1.845 -2.372 5.319 1.00 0.42 C ATOM 204 O ALA A 13 -2.329 -1.653 6.186 1.00 0.50 O ATOM 205 CB ALA A 13 0.432 -2.107 4.333 1.00 0.48 C ATOM 0 H ALA A 13 0.136 -4.559 4.410 1.00 0.35 H new ATOM 0 HA ALA A 13 0.008 -2.508 6.377 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.333 -1.027 4.442 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.480 -2.388 4.436 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.072 -2.406 3.349 1.00 0.48 H new ATOM 211 N LEU A 14 -2.553 -2.867 4.305 1.00 0.41 N ATOM 212 CA LEU A 14 -3.954 -2.503 4.104 1.00 0.49 C ATOM 213 C LEU A 14 -4.873 -2.995 5.220 1.00 0.55 C ATOM 214 O LEU A 14 -5.900 -2.389 5.480 1.00 0.72 O ATOM 215 CB LEU A 14 -4.502 -2.909 2.718 1.00 0.51 C ATOM 216 CG LEU A 14 -4.202 -1.967 1.531 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.730 -1.905 1.193 1.00 0.93 C ATOM 218 CD2 LEU A 14 -5.014 -2.368 0.317 1.00 0.92 C ATOM 0 H LEU A 14 -2.182 -3.518 3.613 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.957 -1.414 4.142 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -4.105 -3.895 2.474 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.584 -3.013 2.801 1.00 0.51 H new ATOM 0 HG LEU A 14 -4.495 -0.964 1.840 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.578 -1.229 0.352 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -2.173 -1.541 2.057 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.376 -2.901 0.926 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.790 -1.694 -0.510 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.761 -3.389 0.031 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -6.076 -2.310 0.555 1.00 0.92 H new ATOM 230 N VAL A 15 -4.524 -4.078 5.868 1.00 0.51 N ATOM 231 CA VAL A 15 -5.310 -4.537 7.015 1.00 0.60 C ATOM 232 C VAL A 15 -5.151 -3.527 8.165 1.00 0.58 C ATOM 233 O VAL A 15 -6.133 -2.937 8.636 1.00 0.66 O ATOM 234 CB VAL A 15 -4.861 -5.951 7.500 1.00 0.69 C ATOM 235 CG1 VAL A 15 -5.679 -6.384 8.714 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.013 -6.979 6.390 1.00 0.76 C ATOM 0 H VAL A 15 -3.718 -4.658 5.637 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.353 -4.609 6.706 1.00 0.60 H new ATOM 0 HB VAL A 15 -3.809 -5.890 7.780 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -5.353 -7.372 9.039 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -5.534 -5.669 9.524 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -6.735 -6.420 8.447 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -4.694 -7.956 6.753 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.057 -7.030 6.082 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.397 -6.689 5.539 1.00 0.76 H new ATOM 246 N GLU A 16 -3.908 -3.314 8.567 1.00 0.55 N ATOM 247 CA GLU A 16 -3.559 -2.443 9.690 1.00 0.63 C ATOM 248 C GLU A 16 -3.973 -0.996 9.472 1.00 0.58 C ATOM 249 O GLU A 16 -4.444 -0.335 10.403 1.00 0.67 O ATOM 250 CB GLU A 16 -2.060 -2.495 9.939 1.00 0.82 C ATOM 251 CG GLU A 16 -1.553 -3.847 10.369 1.00 1.16 C ATOM 252 CD GLU A 16 -2.095 -4.273 11.699 1.00 1.67 C ATOM 253 OE1 GLU A 16 -1.464 -3.969 12.730 1.00 1.83 O ATOM 254 OE2 GLU A 16 -3.160 -4.929 11.744 1.00 2.43 O ATOM 0 H GLU A 16 -3.099 -3.745 8.120 1.00 0.55 H new ATOM 0 HA GLU A 16 -4.109 -2.816 10.554 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -1.541 -2.197 9.028 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -1.804 -1.763 10.705 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -1.824 -4.588 9.617 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -0.464 -3.824 10.416 1.00 1.16 H new ATOM 261 N SER A 17 -3.840 -0.516 8.255 1.00 0.52 N ATOM 262 CA SER A 17 -4.102 0.866 7.979 1.00 0.62 C ATOM 263 C SER A 17 -5.613 1.121 7.958 1.00 0.70 C ATOM 264 O SER A 17 -6.084 2.159 8.432 1.00 0.94 O ATOM 265 CB SER A 17 -3.428 1.279 6.662 1.00 0.67 C ATOM 266 OG SER A 17 -3.234 2.670 6.608 1.00 1.26 O ATOM 0 H SER A 17 -3.552 -1.067 7.446 1.00 0.52 H new ATOM 0 HA SER A 17 -3.677 1.483 8.771 1.00 0.62 H new ATOM 0 HB2 SER A 17 -2.469 0.771 6.566 1.00 0.67 H new ATOM 0 HB3 SER A 17 -4.043 0.961 5.820 1.00 0.67 H new ATOM 0 HG SER A 17 -2.277 2.870 6.681 1.00 1.26 H new ATOM 412 N PHE A 30 -4.512 -9.028 -4.788 1.00 0.50 N ATOM 413 CA PHE A 30 -5.454 -7.927 -4.969 1.00 0.39 C ATOM 414 C PHE A 30 -4.792 -6.796 -5.741 1.00 0.32 C ATOM 415 O PHE A 30 -5.290 -5.684 -5.780 1.00 0.31 O ATOM 416 CB PHE A 30 -5.977 -7.415 -3.600 1.00 0.39 C ATOM 417 CG PHE A 30 -4.921 -6.898 -2.653 1.00 0.38 C ATOM 418 CD1 PHE A 30 -4.223 -7.763 -1.829 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.618 -5.552 -2.604 1.00 0.41 C ATOM 420 CE1 PHE A 30 -3.250 -7.295 -0.977 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.642 -5.081 -1.754 1.00 0.48 C ATOM 422 CZ PHE A 30 -3.009 -5.945 -0.888 1.00 0.53 C ATOM 0 HA PHE A 30 -6.307 -8.293 -5.541 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.699 -6.619 -3.781 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.514 -8.227 -3.109 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.445 -8.820 -1.855 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -5.152 -4.861 -3.239 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -2.676 -7.987 -0.379 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -3.373 -4.035 -1.766 1.00 0.48 H new ATOM 0 HZ PHE A 30 -2.327 -5.563 -0.143 1.00 0.53 H new ATOM 432 N LEU A 31 -3.692 -7.120 -6.396 1.00 0.33 N ATOM 433 CA LEU A 31 -2.843 -6.148 -7.083 1.00 0.32 C ATOM 434 C LEU A 31 -3.548 -5.253 -8.109 1.00 0.28 C ATOM 435 O LEU A 31 -3.116 -4.115 -8.323 1.00 0.33 O ATOM 436 CB LEU A 31 -1.601 -6.812 -7.660 1.00 0.41 C ATOM 437 CG LEU A 31 -0.661 -7.427 -6.620 1.00 0.61 C ATOM 438 CD1 LEU A 31 0.515 -8.095 -7.289 1.00 1.29 C ATOM 439 CD2 LEU A 31 -0.179 -6.365 -5.642 1.00 0.98 C ATOM 0 H LEU A 31 -3.353 -8.079 -6.470 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.540 -5.450 -6.303 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -1.913 -7.592 -8.354 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.047 -6.073 -8.239 1.00 0.41 H new ATOM 0 HG LEU A 31 -1.217 -8.184 -6.067 1.00 0.61 H new ATOM 0 HD11 LEU A 31 1.169 -8.525 -6.530 1.00 1.29 H new ATOM 0 HD12 LEU A 31 0.157 -8.885 -7.950 1.00 1.29 H new ATOM 0 HD13 LEU A 31 1.069 -7.359 -7.871 1.00 1.29 H new ATOM 0 HD21 LEU A 31 0.488 -6.820 -4.910 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.356 -5.586 -6.185 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.035 -5.927 -5.129 1.00 0.98 H new ATOM 451 N ASP A 32 -4.601 -5.744 -8.750 1.00 0.32 N ATOM 452 CA ASP A 32 -5.316 -4.915 -9.727 1.00 0.43 C ATOM 453 C ASP A 32 -6.675 -4.481 -9.208 1.00 0.36 C ATOM 454 O ASP A 32 -7.453 -3.843 -9.935 1.00 0.42 O ATOM 455 CB ASP A 32 -5.465 -5.588 -11.107 1.00 0.69 C ATOM 456 CG ASP A 32 -6.482 -6.716 -11.170 1.00 1.22 C ATOM 457 OD1 ASP A 32 -6.136 -7.871 -10.845 1.00 1.74 O ATOM 458 OD2 ASP A 32 -7.663 -6.451 -11.478 1.00 1.99 O ATOM 0 H ASP A 32 -4.975 -6.684 -8.621 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.693 -4.032 -9.867 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -5.744 -4.827 -11.836 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -4.494 -5.979 -11.410 1.00 0.69 H new ATOM 463 N LEU A 33 -6.955 -4.771 -7.954 1.00 0.32 N ATOM 464 CA LEU A 33 -8.231 -4.403 -7.379 1.00 0.33 C ATOM 465 C LEU A 33 -8.204 -2.946 -7.015 1.00 0.31 C ATOM 466 O LEU A 33 -7.301 -2.491 -6.348 1.00 0.45 O ATOM 467 CB LEU A 33 -8.594 -5.269 -6.168 1.00 0.40 C ATOM 468 CG LEU A 33 -8.803 -6.765 -6.446 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.237 -7.482 -5.183 1.00 0.57 C ATOM 470 CD2 LEU A 33 -9.828 -6.978 -7.555 1.00 0.58 C ATOM 0 H LEU A 33 -6.322 -5.256 -7.319 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.008 -4.579 -8.123 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -7.805 -5.165 -5.423 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.506 -4.872 -5.723 1.00 0.40 H new ATOM 0 HG LEU A 33 -7.852 -7.183 -6.778 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.381 -8.541 -5.397 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.469 -7.367 -4.418 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.173 -7.054 -4.825 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -9.957 -8.046 -7.731 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -10.782 -6.542 -7.258 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.479 -6.499 -8.470 1.00 0.58 H new ATOM 482 N ARG A 34 -9.193 -2.231 -7.445 1.00 0.28 N ATOM 483 CA ARG A 34 -9.209 -0.794 -7.300 1.00 0.31 C ATOM 484 C ARG A 34 -9.431 -0.415 -5.865 1.00 0.29 C ATOM 485 O ARG A 34 -10.378 -0.897 -5.231 1.00 0.34 O ATOM 486 CB ARG A 34 -10.328 -0.223 -8.143 1.00 0.48 C ATOM 487 CG ARG A 34 -10.217 -0.547 -9.617 1.00 0.73 C ATOM 488 CD ARG A 34 -11.478 -0.151 -10.338 1.00 1.02 C ATOM 489 NE ARG A 34 -12.646 -0.891 -9.834 1.00 1.90 N ATOM 490 CZ ARG A 34 -13.918 -0.539 -10.015 1.00 2.41 C ATOM 491 NH1 ARG A 34 -14.209 0.630 -10.574 1.00 2.17 N ATOM 492 NH2 ARG A 34 -14.890 -1.341 -9.589 1.00 3.51 N ATOM 0 H ARG A 34 -10.016 -2.617 -7.907 1.00 0.28 H new ATOM 0 HA ARG A 34 -8.249 -0.394 -7.627 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -11.280 -0.601 -7.769 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -10.345 0.860 -8.020 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -9.364 -0.022 -10.048 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -10.035 -1.614 -9.749 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -11.645 0.919 -10.218 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -11.361 -0.338 -11.406 1.00 1.02 H new ATOM 0 HE ARG A 34 -12.467 -1.743 -9.303 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -13.459 1.257 -10.864 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -15.183 0.901 -10.713 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -14.660 -2.220 -9.126 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -15.866 -1.077 -9.725 1.00 3.51 H new ATOM 506 N PHE A 35 -8.545 0.428 -5.350 1.00 0.30 N ATOM 507 CA PHE A 35 -8.629 0.921 -3.985 1.00 0.34 C ATOM 508 C PHE A 35 -10.020 1.433 -3.640 1.00 0.38 C ATOM 509 O PHE A 35 -10.560 1.081 -2.592 1.00 0.41 O ATOM 510 CB PHE A 35 -7.584 1.998 -3.694 1.00 0.38 C ATOM 511 CG PHE A 35 -6.172 1.501 -3.560 1.00 0.37 C ATOM 512 CD1 PHE A 35 -5.769 0.801 -2.441 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.258 1.699 -4.584 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.484 0.313 -2.336 1.00 0.42 C ATOM 515 CE2 PHE A 35 -3.973 1.209 -4.487 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.547 0.651 -3.264 1.00 0.44 C ATOM 0 H PHE A 35 -7.746 0.789 -5.871 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.418 0.063 -3.347 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.617 2.739 -4.493 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -7.861 2.510 -2.773 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.470 0.633 -1.637 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.556 2.243 -5.468 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.220 -0.339 -1.516 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.304 1.252 -5.334 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.497 0.495 -3.067 1.00 0.44 H new ATOM 526 N GLU A 36 -10.609 2.223 -4.539 1.00 0.44 N ATOM 527 CA GLU A 36 -11.947 2.807 -4.329 1.00 0.52 C ATOM 528 C GLU A 36 -12.996 1.721 -4.035 1.00 0.52 C ATOM 529 O GLU A 36 -13.921 1.917 -3.244 1.00 0.58 O ATOM 530 CB GLU A 36 -12.400 3.640 -5.554 1.00 0.64 C ATOM 531 CG GLU A 36 -12.618 2.827 -6.833 1.00 1.23 C ATOM 532 CD GLU A 36 -13.200 3.640 -7.960 1.00 1.60 C ATOM 533 OE1 GLU A 36 -14.363 4.094 -7.843 1.00 1.97 O ATOM 534 OE2 GLU A 36 -12.489 3.872 -8.968 1.00 2.06 O ATOM 0 H GLU A 36 -10.181 2.478 -5.429 1.00 0.44 H new ATOM 0 HA GLU A 36 -11.869 3.465 -3.464 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.328 4.155 -5.304 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -11.652 4.408 -5.751 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.666 2.403 -7.153 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -13.283 1.991 -6.616 1.00 1.23 H new ATOM 541 N ASP A 37 -12.791 0.570 -4.625 1.00 0.49 N ATOM 542 CA ASP A 37 -13.733 -0.514 -4.561 1.00 0.55 C ATOM 543 C ASP A 37 -13.503 -1.355 -3.317 1.00 0.55 C ATOM 544 O ASP A 37 -14.417 -1.976 -2.802 1.00 0.66 O ATOM 545 CB ASP A 37 -13.609 -1.362 -5.822 1.00 0.62 C ATOM 546 CG ASP A 37 -14.651 -2.441 -5.927 1.00 0.74 C ATOM 547 OD1 ASP A 37 -15.799 -2.154 -6.346 1.00 0.92 O ATOM 548 OD2 ASP A 37 -14.368 -3.580 -5.530 1.00 0.86 O ATOM 0 H ASP A 37 -11.955 0.359 -5.169 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.743 -0.109 -4.501 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.681 -0.713 -6.695 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.620 -1.820 -5.846 1.00 0.62 H new ATOM 553 N ILE A 38 -12.287 -1.332 -2.796 1.00 0.47 N ATOM 554 CA ILE A 38 -11.972 -2.113 -1.600 1.00 0.51 C ATOM 555 C ILE A 38 -12.072 -1.274 -0.329 1.00 0.53 C ATOM 556 O ILE A 38 -11.623 -1.682 0.734 1.00 0.59 O ATOM 557 CB ILE A 38 -10.595 -2.835 -1.665 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.446 -1.834 -1.891 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.610 -3.908 -2.745 1.00 0.56 C ATOM 560 CD1 ILE A 38 -8.065 -2.459 -1.938 1.00 0.47 C ATOM 0 H ILE A 38 -11.508 -0.791 -3.172 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.732 -2.893 -1.566 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.419 -3.318 -0.704 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.622 -1.303 -2.827 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.467 -1.091 -1.094 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.640 -4.404 -2.778 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.385 -4.641 -2.519 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.816 -3.448 -3.712 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.319 -1.681 -2.100 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.862 -2.965 -0.994 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -8.020 -3.181 -2.753 1.00 0.47 H new ATOM 572 N GLY A 39 -12.730 -0.139 -0.439 1.00 0.54 N ATOM 573 CA GLY A 39 -12.954 0.711 0.713 1.00 0.61 C ATOM 574 C GLY A 39 -11.815 1.672 0.981 1.00 0.55 C ATOM 575 O GLY A 39 -11.746 2.279 2.047 1.00 0.69 O ATOM 0 H GLY A 39 -13.119 0.217 -1.312 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -13.872 1.280 0.563 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.107 0.086 1.593 1.00 0.61 H new ATOM 579 N TYR A 40 -10.923 1.811 0.033 1.00 0.45 N ATOM 580 CA TYR A 40 -9.814 2.727 0.158 1.00 0.48 C ATOM 581 C TYR A 40 -10.051 3.968 -0.650 1.00 0.56 C ATOM 582 O TYR A 40 -9.896 3.978 -1.867 1.00 0.64 O ATOM 583 CB TYR A 40 -8.483 2.064 -0.205 1.00 0.43 C ATOM 584 CG TYR A 40 -7.789 1.452 0.975 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.418 0.473 1.715 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.495 1.807 1.319 1.00 0.74 C ATOM 587 CE1 TYR A 40 -7.785 -0.149 2.758 1.00 1.00 C ATOM 588 CE2 TYR A 40 -5.854 1.199 2.374 1.00 0.99 C ATOM 589 CZ TYR A 40 -6.513 0.437 3.207 1.00 1.11 C ATOM 590 OH TYR A 40 -5.869 -0.431 4.100 1.00 1.40 O ATOM 0 H TYR A 40 -10.943 1.294 -0.846 1.00 0.45 H new ATOM 0 HA TYR A 40 -9.745 3.019 1.206 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.661 1.293 -0.954 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -7.827 2.806 -0.660 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -9.431 0.191 1.467 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -5.983 2.570 0.752 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -8.200 -1.028 3.228 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -4.794 1.353 2.515 1.00 0.99 H new ATOM 0 HH TYR A 40 -6.534 -1.004 4.536 1.00 1.40 H new ATOM 600 N ASP A 41 -10.420 5.005 0.038 1.00 0.74 N ATOM 601 CA ASP A 41 -10.769 6.268 -0.579 1.00 0.95 C ATOM 602 C ASP A 41 -9.515 6.961 -1.099 1.00 1.01 C ATOM 603 O ASP A 41 -9.364 7.145 -2.310 1.00 1.89 O ATOM 604 CB ASP A 41 -11.465 7.137 0.436 1.00 1.15 C ATOM 605 CG ASP A 41 -12.145 8.325 -0.172 1.00 1.57 C ATOM 606 OD1 ASP A 41 -13.231 8.173 -0.745 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.578 9.445 -0.113 1.00 2.16 O ATOM 0 H ASP A 41 -10.491 5.008 1.056 1.00 0.74 H new ATOM 0 HA ASP A 41 -11.437 6.091 -1.422 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -12.202 6.539 0.972 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.737 7.480 1.171 1.00 1.15 H new ATOM 612 N SER A 42 -8.587 7.255 -0.182 1.00 0.71 N ATOM 613 CA SER A 42 -7.305 7.893 -0.510 1.00 0.66 C ATOM 614 C SER A 42 -6.493 8.154 0.747 1.00 0.49 C ATOM 615 O SER A 42 -5.326 7.819 0.790 1.00 0.45 O ATOM 616 CB SER A 42 -7.490 9.201 -1.297 1.00 0.86 C ATOM 617 OG SER A 42 -8.388 10.081 -0.580 1.00 1.19 O ATOM 0 H SER A 42 -8.703 7.057 0.812 1.00 0.71 H new ATOM 0 HA SER A 42 -6.762 7.196 -1.148 1.00 0.66 H new ATOM 0 HB2 SER A 42 -6.526 9.689 -1.441 1.00 0.86 H new ATOM 0 HB3 SER A 42 -7.890 8.987 -2.288 1.00 0.86 H new ATOM 0 HG SER A 42 -9.287 9.691 -0.567 1.00 1.19 H new ATOM 622 N LEU A 43 -7.125 8.669 1.794 1.00 0.49 N ATOM 623 CA LEU A 43 -6.404 8.964 3.041 1.00 0.49 C ATOM 624 C LEU A 43 -5.863 7.707 3.693 1.00 0.42 C ATOM 625 O LEU A 43 -4.724 7.693 4.153 1.00 0.41 O ATOM 626 CB LEU A 43 -7.264 9.750 4.032 1.00 0.65 C ATOM 627 CG LEU A 43 -7.561 11.199 3.663 1.00 0.79 C ATOM 628 CD1 LEU A 43 -8.464 11.822 4.700 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.270 11.990 3.555 1.00 1.03 C ATOM 0 H LEU A 43 -8.120 8.891 1.813 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.558 9.592 2.761 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.212 9.226 4.154 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -6.767 9.738 5.002 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.065 11.218 2.697 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -8.671 12.857 4.428 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -9.400 11.266 4.749 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -7.974 11.794 5.673 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -6.497 13.023 3.291 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -5.748 11.966 4.511 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -5.637 11.550 2.785 1.00 1.03 H new ATOM 641 N ALA A 44 -6.665 6.654 3.720 1.00 0.40 N ATOM 642 CA ALA A 44 -6.222 5.362 4.253 1.00 0.38 C ATOM 643 C ALA A 44 -5.126 4.780 3.367 1.00 0.32 C ATOM 644 O ALA A 44 -4.197 4.146 3.833 1.00 0.33 O ATOM 645 CB ALA A 44 -7.390 4.389 4.374 1.00 0.43 C ATOM 0 H ALA A 44 -7.627 6.662 3.381 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.818 5.522 5.253 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.033 3.439 4.772 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.141 4.804 5.046 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.832 4.227 3.391 1.00 0.43 H new ATOM 651 N LEU A 45 -5.249 5.039 2.085 1.00 0.30 N ATOM 652 CA LEU A 45 -4.303 4.574 1.082 1.00 0.28 C ATOM 653 C LEU A 45 -2.949 5.290 1.323 1.00 0.28 C ATOM 654 O LEU A 45 -1.879 4.670 1.324 1.00 0.29 O ATOM 655 CB LEU A 45 -4.911 4.890 -0.310 1.00 0.30 C ATOM 656 CG LEU A 45 -4.321 4.233 -1.580 1.00 0.30 C ATOM 657 CD1 LEU A 45 -5.047 4.759 -2.791 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.820 4.439 -1.742 1.00 0.37 C ATOM 0 H LEU A 45 -6.018 5.586 1.699 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.119 3.501 1.139 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.968 4.626 -0.270 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.858 5.970 -0.449 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.465 3.158 -1.475 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.636 4.300 -3.690 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -6.107 4.518 -2.713 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.924 5.841 -2.848 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.482 3.949 -2.655 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.603 5.506 -1.801 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.299 4.010 -0.886 1.00 0.37 H new ATOM 670 N MET A 46 -3.027 6.584 1.548 1.00 0.30 N ATOM 671 CA MET A 46 -1.870 7.411 1.871 1.00 0.34 C ATOM 672 C MET A 46 -1.277 6.971 3.195 1.00 0.34 C ATOM 673 O MET A 46 -0.066 6.916 3.354 1.00 0.40 O ATOM 674 CB MET A 46 -2.296 8.879 1.940 1.00 0.39 C ATOM 675 CG MET A 46 -2.704 9.455 0.593 1.00 0.45 C ATOM 676 SD MET A 46 -3.722 10.944 0.729 1.00 0.68 S ATOM 677 CE MET A 46 -2.654 12.005 1.677 1.00 1.44 C ATOM 0 H MET A 46 -3.904 7.104 1.513 1.00 0.30 H new ATOM 0 HA MET A 46 -1.113 7.297 1.095 1.00 0.34 H new ATOM 0 HB2 MET A 46 -3.130 8.975 2.635 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.474 9.469 2.345 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.807 9.688 0.019 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.253 8.698 0.033 1.00 0.45 H new ATOM 0 HE1 MET A 46 -3.213 12.436 2.508 1.00 1.44 H new ATOM 0 HE2 MET A 46 -1.816 11.425 2.065 1.00 1.44 H new ATOM 0 HE3 MET A 46 -2.277 12.805 1.040 1.00 1.44 H new ATOM 687 N GLU A 47 -2.155 6.608 4.116 1.00 0.32 N ATOM 688 CA GLU A 47 -1.785 6.139 5.441 1.00 0.37 C ATOM 689 C GLU A 47 -0.968 4.848 5.314 1.00 0.32 C ATOM 690 O GLU A 47 0.023 4.642 6.039 1.00 0.33 O ATOM 691 CB GLU A 47 -3.055 5.871 6.232 1.00 0.45 C ATOM 692 CG GLU A 47 -2.867 5.825 7.728 1.00 0.85 C ATOM 693 CD GLU A 47 -2.462 7.161 8.257 1.00 1.22 C ATOM 694 OE1 GLU A 47 -3.325 8.056 8.323 1.00 1.89 O ATOM 695 OE2 GLU A 47 -1.262 7.363 8.570 1.00 1.82 O ATOM 0 H GLU A 47 -3.163 6.632 3.961 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.183 6.890 5.953 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.785 6.645 5.995 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.478 4.922 5.903 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.794 5.507 8.205 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.108 5.085 7.980 1.00 0.85 H new ATOM 702 N THR A 48 -1.391 4.004 4.377 1.00 0.31 N ATOM 703 CA THR A 48 -0.708 2.776 4.042 1.00 0.30 C ATOM 704 C THR A 48 0.709 3.094 3.569 1.00 0.29 C ATOM 705 O THR A 48 1.687 2.616 4.156 1.00 0.32 O ATOM 706 CB THR A 48 -1.479 2.062 2.910 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.777 1.676 3.371 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.714 0.851 2.383 1.00 0.33 C ATOM 0 H THR A 48 -2.233 4.165 3.825 1.00 0.31 H new ATOM 0 HA THR A 48 -0.660 2.131 4.919 1.00 0.30 H new ATOM 0 HB THR A 48 -1.587 2.763 2.082 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.313 2.477 3.549 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.289 0.375 1.588 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.251 1.173 1.991 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.557 0.139 3.193 1.00 0.33 H new ATOM 716 N ALA A 49 0.806 3.918 2.528 1.00 0.29 N ATOM 717 CA ALA A 49 2.086 4.307 1.951 1.00 0.30 C ATOM 718 C ALA A 49 2.992 4.915 3.015 1.00 0.27 C ATOM 719 O ALA A 49 4.153 4.538 3.133 1.00 0.27 O ATOM 720 CB ALA A 49 1.870 5.284 0.811 1.00 0.36 C ATOM 0 H ALA A 49 -0.001 4.333 2.063 1.00 0.29 H new ATOM 0 HA ALA A 49 2.576 3.416 1.558 1.00 0.30 H new ATOM 0 HB1 ALA A 49 2.833 5.568 0.387 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.259 4.814 0.040 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.362 6.173 1.185 1.00 0.36 H new ATOM 726 N ALA A 50 2.423 5.798 3.824 1.00 0.29 N ATOM 727 CA ALA A 50 3.131 6.463 4.911 1.00 0.31 C ATOM 728 C ALA A 50 3.674 5.455 5.921 1.00 0.30 C ATOM 729 O ALA A 50 4.812 5.577 6.390 1.00 0.32 O ATOM 730 CB ALA A 50 2.212 7.450 5.601 1.00 0.39 C ATOM 0 H ALA A 50 1.445 6.077 3.744 1.00 0.29 H new ATOM 0 HA ALA A 50 3.979 6.998 4.484 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.749 7.942 6.412 1.00 0.39 H new ATOM 0 HB2 ALA A 50 1.875 8.197 4.882 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.349 6.922 6.006 1.00 0.39 H new ATOM 736 N ARG A 51 2.865 4.452 6.244 1.00 0.32 N ATOM 737 CA ARG A 51 3.261 3.413 7.186 1.00 0.37 C ATOM 738 C ARG A 51 4.421 2.613 6.612 1.00 0.32 C ATOM 739 O ARG A 51 5.388 2.292 7.314 1.00 0.36 O ATOM 740 CB ARG A 51 2.099 2.469 7.483 1.00 0.51 C ATOM 741 CG ARG A 51 2.417 1.467 8.573 1.00 1.04 C ATOM 742 CD ARG A 51 1.317 0.456 8.760 1.00 1.15 C ATOM 743 NE ARG A 51 1.583 -0.395 9.919 1.00 1.91 N ATOM 744 CZ ARG A 51 1.594 -1.732 9.933 1.00 2.60 C ATOM 745 NH1 ARG A 51 1.550 -2.434 8.794 1.00 2.86 N ATOM 746 NH2 ARG A 51 1.713 -2.359 11.089 1.00 3.47 N ATOM 0 H ARG A 51 1.925 4.337 5.864 1.00 0.32 H new ATOM 0 HA ARG A 51 3.564 3.896 8.115 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.228 3.055 7.778 1.00 0.51 H new ATOM 0 HB3 ARG A 51 1.830 1.934 6.572 1.00 0.51 H new ATOM 0 HG2 ARG A 51 3.345 0.950 8.328 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.585 1.996 9.511 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.364 0.969 8.891 1.00 1.15 H new ATOM 0 HD3 ARG A 51 1.227 -0.159 7.865 1.00 1.15 H new ATOM 0 HE ARG A 51 1.779 0.077 10.802 1.00 1.91 H new ATOM 0 HH11 ARG A 51 1.507 -1.949 7.898 1.00 2.86 H new ATOM 0 HH12 ARG A 51 1.559 -3.454 8.823 1.00 2.86 H new ATOM 0 HH21 ARG A 51 1.795 -1.824 11.953 1.00 3.47 H new ATOM 0 HH22 ARG A 51 1.723 -3.379 11.118 1.00 3.47 H new ATOM 760 N LEU A 52 4.325 2.317 5.327 1.00 0.27 N ATOM 761 CA LEU A 52 5.345 1.566 4.621 1.00 0.25 C ATOM 762 C LEU A 52 6.651 2.355 4.601 1.00 0.21 C ATOM 763 O LEU A 52 7.740 1.773 4.740 1.00 0.23 O ATOM 764 CB LEU A 52 4.875 1.226 3.197 1.00 0.29 C ATOM 765 CG LEU A 52 3.589 0.385 3.102 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.149 0.220 1.662 1.00 0.44 C ATOM 767 CD2 LEU A 52 3.786 -0.974 3.736 1.00 0.44 C ATOM 0 H LEU A 52 3.535 2.592 4.744 1.00 0.27 H new ATOM 0 HA LEU A 52 5.522 0.626 5.144 1.00 0.25 H new ATOM 0 HB2 LEU A 52 4.719 2.158 2.653 1.00 0.29 H new ATOM 0 HB3 LEU A 52 5.676 0.690 2.688 1.00 0.29 H new ATOM 0 HG LEU A 52 2.809 0.918 3.645 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.239 -0.378 1.626 1.00 0.44 H new ATOM 0 HD12 LEU A 52 2.957 1.200 1.226 1.00 0.44 H new ATOM 0 HD13 LEU A 52 3.935 -0.281 1.097 1.00 0.44 H new ATOM 0 HD21 LEU A 52 2.864 -1.550 3.657 1.00 0.44 H new ATOM 0 HD22 LEU A 52 4.589 -1.502 3.222 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.047 -0.851 4.787 1.00 0.44 H new ATOM 779 N GLU A 53 6.534 3.686 4.457 1.00 0.19 N ATOM 780 CA GLU A 53 7.686 4.579 4.522 1.00 0.19 C ATOM 781 C GLU A 53 8.394 4.397 5.837 1.00 0.23 C ATOM 782 O GLU A 53 9.568 4.036 5.885 1.00 0.26 O ATOM 783 CB GLU A 53 7.287 6.046 4.455 1.00 0.22 C ATOM 784 CG GLU A 53 6.563 6.527 3.225 1.00 0.25 C ATOM 785 CD GLU A 53 6.331 8.020 3.306 1.00 0.33 C ATOM 786 OE1 GLU A 53 5.365 8.445 3.975 1.00 0.49 O ATOM 787 OE2 GLU A 53 7.059 8.790 2.661 1.00 0.38 O ATOM 0 H GLU A 53 5.646 4.161 4.294 1.00 0.19 H new ATOM 0 HA GLU A 53 8.317 4.328 3.669 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.657 6.260 5.318 1.00 0.22 H new ATOM 0 HB3 GLU A 53 8.192 6.643 4.565 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.146 6.290 2.335 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.609 6.008 3.129 1.00 0.25 H new ATOM 794 N SER A 54 7.645 4.613 6.891 1.00 0.31 N ATOM 795 CA SER A 54 8.136 4.590 8.236 1.00 0.40 C ATOM 796 C SER A 54 8.715 3.219 8.631 1.00 0.36 C ATOM 797 O SER A 54 9.813 3.149 9.184 1.00 0.39 O ATOM 798 CB SER A 54 6.996 4.985 9.170 1.00 0.53 C ATOM 799 OG SER A 54 6.390 6.205 8.736 1.00 1.17 O ATOM 0 H SER A 54 6.647 4.815 6.828 1.00 0.31 H new ATOM 0 HA SER A 54 8.959 5.300 8.317 1.00 0.40 H new ATOM 0 HB2 SER A 54 6.249 4.191 9.197 1.00 0.53 H new ATOM 0 HB3 SER A 54 7.374 5.102 10.186 1.00 0.53 H new ATOM 0 HG SER A 54 5.725 6.011 8.043 1.00 1.17 H new ATOM 805 N ARG A 55 7.985 2.144 8.359 1.00 0.35 N ATOM 806 CA ARG A 55 8.433 0.810 8.757 1.00 0.37 C ATOM 807 C ARG A 55 9.674 0.327 7.996 1.00 0.31 C ATOM 808 O ARG A 55 10.610 -0.196 8.597 1.00 0.36 O ATOM 809 CB ARG A 55 7.317 -0.244 8.642 1.00 0.48 C ATOM 810 CG ARG A 55 7.719 -1.597 9.237 1.00 0.61 C ATOM 811 CD ARG A 55 6.645 -2.661 9.077 1.00 0.85 C ATOM 812 NE ARG A 55 7.014 -3.903 9.775 1.00 1.35 N ATOM 813 CZ ARG A 55 6.482 -5.117 9.551 1.00 2.03 C ATOM 814 NH1 ARG A 55 5.781 -5.365 8.453 1.00 2.37 N ATOM 815 NH2 ARG A 55 6.730 -6.115 10.377 1.00 2.81 N ATOM 0 H ARG A 55 7.090 2.166 7.870 1.00 0.35 H new ATOM 0 HA ARG A 55 8.709 0.919 9.806 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.424 0.121 9.150 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.055 -0.377 7.592 1.00 0.48 H new ATOM 0 HG2 ARG A 55 8.636 -1.940 8.758 1.00 0.61 H new ATOM 0 HG3 ARG A 55 7.941 -1.470 10.297 1.00 0.61 H new ATOM 0 HD2 ARG A 55 5.699 -2.288 9.470 1.00 0.85 H new ATOM 0 HD3 ARG A 55 6.491 -2.869 8.018 1.00 0.85 H new ATOM 0 HE ARG A 55 7.737 -3.837 10.492 1.00 1.35 H new ATOM 0 HH11 ARG A 55 5.638 -4.629 7.762 1.00 2.37 H new ATOM 0 HH12 ARG A 55 5.385 -6.292 8.300 1.00 2.37 H new ATOM 0 HH21 ARG A 55 7.328 -5.967 11.190 1.00 2.81 H new ATOM 0 HH22 ARG A 55 6.324 -7.034 10.203 1.00 2.81 H new ATOM 829 N TYR A 56 9.683 0.498 6.684 1.00 0.28 N ATOM 830 CA TYR A 56 10.731 -0.118 5.873 1.00 0.31 C ATOM 831 C TYR A 56 11.857 0.831 5.514 1.00 0.33 C ATOM 832 O TYR A 56 12.961 0.387 5.196 1.00 0.43 O ATOM 833 CB TYR A 56 10.127 -0.752 4.621 1.00 0.34 C ATOM 834 CG TYR A 56 9.016 -1.721 4.944 1.00 0.41 C ATOM 835 CD1 TYR A 56 9.271 -2.908 5.616 1.00 0.53 C ATOM 836 CD2 TYR A 56 7.707 -1.429 4.614 1.00 0.45 C ATOM 837 CE1 TYR A 56 8.247 -3.774 5.935 1.00 0.64 C ATOM 838 CE2 TYR A 56 6.682 -2.287 4.935 1.00 0.57 C ATOM 839 CZ TYR A 56 6.954 -3.456 5.588 1.00 0.66 C ATOM 840 OH TYR A 56 5.924 -4.305 5.928 1.00 0.80 O ATOM 0 H TYR A 56 8.996 1.044 6.164 1.00 0.28 H new ATOM 0 HA TYR A 56 11.185 -0.895 6.489 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.743 0.033 3.969 1.00 0.34 H new ATOM 0 HB3 TYR A 56 10.909 -1.272 4.067 1.00 0.34 H new ATOM 0 HD1 TYR A 56 10.285 -3.157 5.893 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.484 -0.509 4.094 1.00 0.45 H new ATOM 0 HE1 TYR A 56 8.458 -4.697 6.454 1.00 0.64 H new ATOM 0 HE2 TYR A 56 5.665 -2.038 4.672 1.00 0.57 H new ATOM 0 HH TYR A 56 6.151 -5.219 5.658 1.00 0.80 H new ATOM 850 N GLY A 57 11.594 2.109 5.576 1.00 0.31 N ATOM 851 CA GLY A 57 12.608 3.074 5.236 1.00 0.38 C ATOM 852 C GLY A 57 12.485 3.535 3.804 1.00 0.38 C ATOM 853 O GLY A 57 13.463 3.532 3.046 1.00 0.53 O ATOM 0 H GLY A 57 10.696 2.504 5.856 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.530 3.933 5.902 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.594 2.636 5.394 1.00 0.38 H new ATOM 857 N VAL A 58 11.295 3.939 3.430 1.00 0.37 N ATOM 858 CA VAL A 58 11.025 4.413 2.080 1.00 0.37 C ATOM 859 C VAL A 58 10.371 5.767 2.162 1.00 0.34 C ATOM 860 O VAL A 58 10.135 6.267 3.257 1.00 0.33 O ATOM 861 CB VAL A 58 10.143 3.446 1.203 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.687 2.055 1.216 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.680 3.433 1.608 1.00 0.33 C ATOM 0 H VAL A 58 10.483 3.951 4.047 1.00 0.37 H new ATOM 0 HA VAL A 58 11.989 4.461 1.573 1.00 0.37 H new ATOM 0 HB VAL A 58 10.191 3.843 0.189 1.00 0.38 H new ATOM 0 HG11 VAL A 58 10.056 1.412 0.602 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.701 2.057 0.817 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.701 1.679 2.239 1.00 0.45 H new ATOM 0 HG21 VAL A 58 8.130 2.747 0.964 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.592 3.107 2.644 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.266 4.436 1.507 1.00 0.33 H new ATOM 873 N SER A 59 10.104 6.365 1.042 1.00 0.37 N ATOM 874 CA SER A 59 9.424 7.611 1.015 1.00 0.41 C ATOM 875 C SER A 59 8.485 7.584 -0.172 1.00 0.38 C ATOM 876 O SER A 59 8.891 7.205 -1.283 1.00 0.47 O ATOM 877 CB SER A 59 10.422 8.778 0.916 1.00 0.56 C ATOM 878 OG SER A 59 9.771 10.039 1.077 1.00 1.54 O ATOM 0 H SER A 59 10.354 5.998 0.124 1.00 0.37 H new ATOM 0 HA SER A 59 8.861 7.763 1.936 1.00 0.41 H new ATOM 0 HB2 SER A 59 11.192 8.665 1.679 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.924 8.748 -0.051 1.00 0.56 H new ATOM 0 HG SER A 59 10.432 10.759 1.011 1.00 1.54 H new ATOM 884 N ILE A 60 7.241 7.920 0.076 1.00 0.31 N ATOM 885 CA ILE A 60 6.202 7.912 -0.932 1.00 0.31 C ATOM 886 C ILE A 60 5.427 9.207 -0.820 1.00 0.34 C ATOM 887 O ILE A 60 4.880 9.511 0.251 1.00 0.40 O ATOM 888 CB ILE A 60 5.193 6.725 -0.734 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.900 5.361 -0.757 1.00 0.47 C ATOM 890 CG2 ILE A 60 4.078 6.764 -1.788 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.610 5.039 -2.063 1.00 0.59 C ATOM 0 H ILE A 60 6.915 8.211 0.998 1.00 0.31 H new ATOM 0 HA ILE A 60 6.677 7.797 -1.906 1.00 0.31 H new ATOM 0 HB ILE A 60 4.745 6.852 0.252 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.627 5.330 0.054 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.165 4.582 -0.556 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.395 5.930 -1.626 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.531 7.703 -1.704 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.515 6.686 -2.783 1.00 0.35 H new ATOM 0 HD11 ILE A 60 7.081 4.059 -1.989 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.887 5.034 -2.879 1.00 0.59 H new ATOM 0 HD13 ILE A 60 7.372 5.793 -2.258 1.00 0.59 H new ATOM 903 N PRO A 61 5.389 10.003 -1.885 1.00 0.37 N ATOM 904 CA PRO A 61 4.640 11.244 -1.900 1.00 0.45 C ATOM 905 C PRO A 61 3.145 10.979 -1.753 1.00 0.41 C ATOM 906 O PRO A 61 2.549 10.204 -2.535 1.00 0.35 O ATOM 907 CB PRO A 61 4.946 11.846 -3.280 1.00 0.54 C ATOM 908 CG PRO A 61 6.160 11.130 -3.747 1.00 0.56 C ATOM 909 CD PRO A 61 6.079 9.763 -3.158 1.00 0.43 C ATOM 0 HA PRO A 61 4.914 11.906 -1.079 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.113 11.702 -3.968 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.122 12.920 -3.213 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.193 11.085 -4.836 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.065 11.643 -3.422 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.522 9.078 -3.798 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.067 9.327 -3.008 1.00 0.43 H new ATOM 917 N ASP A 62 2.553 11.605 -0.753 1.00 0.51 N ATOM 918 CA ASP A 62 1.117 11.485 -0.440 1.00 0.55 C ATOM 919 C ASP A 62 0.240 11.886 -1.630 1.00 0.45 C ATOM 920 O ASP A 62 -0.907 11.447 -1.747 1.00 0.46 O ATOM 921 CB ASP A 62 0.737 12.295 0.828 1.00 0.77 C ATOM 922 CG ASP A 62 0.817 13.808 0.677 1.00 1.28 C ATOM 923 OD1 ASP A 62 1.935 14.363 0.599 1.00 1.64 O ATOM 924 OD2 ASP A 62 -0.240 14.471 0.599 1.00 1.99 O ATOM 0 H ASP A 62 3.054 12.225 -0.117 1.00 0.51 H new ATOM 0 HA ASP A 62 0.927 10.432 -0.231 1.00 0.55 H new ATOM 0 HB2 ASP A 62 -0.279 12.028 1.120 1.00 0.77 H new ATOM 0 HB3 ASP A 62 1.393 11.992 1.644 1.00 0.77 H new ATOM 929 N ASP A 63 0.815 12.661 -2.543 1.00 0.44 N ATOM 930 CA ASP A 63 0.114 13.097 -3.743 1.00 0.45 C ATOM 931 C ASP A 63 -0.084 11.922 -4.681 1.00 0.40 C ATOM 932 O ASP A 63 -1.159 11.745 -5.242 1.00 0.48 O ATOM 933 CB ASP A 63 0.926 14.163 -4.474 1.00 0.58 C ATOM 934 CG ASP A 63 0.203 14.709 -5.682 1.00 1.37 C ATOM 935 OD1 ASP A 63 -0.578 15.675 -5.574 1.00 1.66 O ATOM 936 OD2 ASP A 63 0.419 14.175 -6.781 1.00 2.18 O ATOM 0 H ASP A 63 1.774 13.002 -2.472 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.850 13.508 -3.444 1.00 0.45 H new ATOM 0 HB2 ASP A 63 1.150 14.980 -3.788 1.00 0.58 H new ATOM 0 HB3 ASP A 63 1.880 13.739 -4.786 1.00 0.58 H new ATOM 941 N VAL A 64 0.940 11.095 -4.783 1.00 0.34 N ATOM 942 CA VAL A 64 0.948 9.936 -5.668 1.00 0.37 C ATOM 943 C VAL A 64 0.069 8.850 -5.089 1.00 0.36 C ATOM 944 O VAL A 64 -0.671 8.179 -5.816 1.00 0.43 O ATOM 945 CB VAL A 64 2.391 9.396 -5.835 1.00 0.45 C ATOM 946 CG1 VAL A 64 2.425 8.180 -6.753 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.315 10.485 -6.361 1.00 0.50 C ATOM 0 H VAL A 64 1.802 11.207 -4.249 1.00 0.34 H new ATOM 0 HA VAL A 64 0.567 10.237 -6.644 1.00 0.37 H new ATOM 0 HB VAL A 64 2.744 9.085 -4.852 1.00 0.45 H new ATOM 0 HG11 VAL A 64 3.451 7.825 -6.849 1.00 0.57 H new ATOM 0 HG12 VAL A 64 1.806 7.388 -6.331 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.042 8.455 -7.736 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.323 10.085 -6.471 1.00 0.50 H new ATOM 0 HG22 VAL A 64 2.954 10.832 -7.329 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.330 11.319 -5.660 1.00 0.50 H new ATOM 957 N ALA A 65 0.146 8.692 -3.781 1.00 0.35 N ATOM 958 CA ALA A 65 -0.651 7.712 -3.073 1.00 0.39 C ATOM 959 C ALA A 65 -2.142 7.936 -3.341 1.00 0.41 C ATOM 960 O ALA A 65 -2.869 7.003 -3.604 1.00 0.45 O ATOM 961 CB ALA A 65 -0.340 7.753 -1.589 1.00 0.44 C ATOM 0 H ALA A 65 0.763 9.240 -3.181 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.396 6.718 -3.441 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.946 7.011 -1.070 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.716 7.533 -1.432 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.566 8.745 -1.197 1.00 0.44 H new ATOM 967 N GLY A 66 -2.564 9.190 -3.365 1.00 0.47 N ATOM 968 CA GLY A 66 -3.961 9.496 -3.641 1.00 0.55 C ATOM 969 C GLY A 66 -4.271 9.572 -5.141 1.00 0.58 C ATOM 970 O GLY A 66 -5.260 10.197 -5.552 1.00 0.81 O ATOM 0 H GLY A 66 -1.970 10.003 -3.200 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.592 8.734 -3.183 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -4.219 10.446 -3.173 1.00 0.55 H new ATOM 974 N ARG A 67 -3.427 8.959 -5.954 1.00 0.54 N ATOM 975 CA ARG A 67 -3.592 8.955 -7.405 1.00 0.61 C ATOM 976 C ARG A 67 -3.449 7.547 -8.003 1.00 0.52 C ATOM 977 O ARG A 67 -3.937 7.286 -9.108 1.00 0.59 O ATOM 978 CB ARG A 67 -2.602 9.927 -8.062 1.00 0.75 C ATOM 979 CG ARG A 67 -2.947 11.396 -7.849 1.00 1.32 C ATOM 980 CD ARG A 67 -1.805 12.316 -8.251 1.00 1.55 C ATOM 981 NE ARG A 67 -1.377 12.149 -9.641 1.00 1.97 N ATOM 982 CZ ARG A 67 -0.246 12.660 -10.146 1.00 2.53 C ATOM 983 NH1 ARG A 67 0.594 13.341 -9.361 1.00 2.73 N ATOM 984 NH2 ARG A 67 0.045 12.485 -11.425 1.00 3.33 N ATOM 0 H ARG A 67 -2.606 8.448 -5.630 1.00 0.54 H new ATOM 0 HA ARG A 67 -4.608 9.290 -7.616 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.604 9.737 -7.666 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -2.564 9.724 -9.132 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -3.835 11.647 -8.429 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -3.193 11.562 -6.800 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -2.112 13.350 -8.096 1.00 1.55 H new ATOM 0 HD3 ARG A 67 -0.955 12.134 -7.594 1.00 1.55 H new ATOM 0 HE ARG A 67 -1.978 11.610 -10.264 1.00 1.97 H new ATOM 0 HH11 ARG A 67 0.375 13.473 -8.374 1.00 2.73 H new ATOM 0 HH12 ARG A 67 1.454 13.728 -9.749 1.00 2.73 H new ATOM 0 HH21 ARG A 67 -0.592 11.961 -12.026 1.00 3.33 H new ATOM 0 HH22 ARG A 67 0.906 12.874 -11.810 1.00 3.33 H new ATOM 998 N VAL A 68 -2.799 6.650 -7.285 1.00 0.43 N ATOM 999 CA VAL A 68 -2.635 5.269 -7.745 1.00 0.39 C ATOM 1000 C VAL A 68 -3.923 4.460 -7.530 1.00 0.35 C ATOM 1001 O VAL A 68 -4.509 4.473 -6.445 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.405 4.569 -7.088 1.00 0.39 C ATOM 1003 CG1 VAL A 68 -0.116 5.132 -7.669 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.399 4.762 -5.578 1.00 0.36 C ATOM 0 H VAL A 68 -2.373 6.846 -6.379 1.00 0.43 H new ATOM 0 HA VAL A 68 -2.437 5.309 -8.816 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.476 3.502 -7.301 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.738 4.638 -7.205 1.00 0.44 H new ATOM 0 HG12 VAL A 68 -0.095 4.958 -8.745 1.00 0.44 H new ATOM 0 HG13 VAL A 68 -0.066 6.203 -7.473 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.530 4.262 -5.151 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.355 5.826 -5.347 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.308 4.336 -5.153 1.00 0.36 H new ATOM 1014 N ASP A 69 -4.371 3.806 -8.592 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.657 3.081 -8.599 1.00 0.41 C ATOM 1016 C ASP A 69 -5.437 1.652 -8.179 1.00 0.28 C ATOM 1017 O ASP A 69 -6.224 1.078 -7.423 1.00 0.33 O ATOM 1018 CB ASP A 69 -6.261 3.019 -10.019 1.00 0.62 C ATOM 1019 CG ASP A 69 -6.095 4.272 -10.825 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -5.035 4.409 -11.485 1.00 2.11 O ATOM 1021 OD2 ASP A 69 -7.000 5.132 -10.852 1.00 1.76 O ATOM 0 H ASP A 69 -3.864 3.756 -9.476 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.325 3.612 -7.921 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -5.800 2.192 -10.559 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -7.324 2.794 -9.937 1.00 0.62 H new ATOM 1026 N THR A 70 -4.382 1.059 -8.705 1.00 0.30 N ATOM 1027 CA THR A 70 -4.107 -0.320 -8.445 1.00 0.27 C ATOM 1028 C THR A 70 -2.974 -0.492 -7.430 1.00 0.24 C ATOM 1029 O THR A 70 -1.938 0.196 -7.503 1.00 0.25 O ATOM 1030 CB THR A 70 -3.827 -1.112 -9.754 1.00 0.34 C ATOM 1031 OG1 THR A 70 -2.780 -0.488 -10.521 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.089 -1.203 -10.602 1.00 0.36 C ATOM 0 H THR A 70 -3.707 1.521 -9.314 1.00 0.30 H new ATOM 0 HA THR A 70 -5.007 -0.744 -7.999 1.00 0.27 H new ATOM 0 HB THR A 70 -3.507 -2.115 -9.472 1.00 0.34 H new ATOM 0 HG1 THR A 70 -2.621 -1.005 -11.338 1.00 0.44 H new ATOM 0 HG21 THR A 70 -4.875 -1.760 -11.514 1.00 0.36 H new ATOM 0 HG22 THR A 70 -5.870 -1.714 -10.039 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.427 -0.199 -10.861 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.171 -1.394 -6.450 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.196 -1.688 -5.403 1.00 0.22 C ATOM 1042 C PRO A 71 -0.837 -2.085 -5.951 1.00 0.22 C ATOM 1043 O PRO A 71 0.177 -1.785 -5.340 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.827 -2.854 -4.643 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.274 -2.675 -4.860 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.398 -2.175 -6.261 1.00 0.23 C ATOM 0 HA PRO A 71 -1.999 -0.812 -4.785 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.481 -3.814 -5.025 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.575 -2.824 -3.583 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.812 -3.614 -4.727 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.694 -1.964 -4.149 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.467 -2.995 -6.976 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.290 -1.562 -6.392 1.00 0.23 H new ATOM 1054 N ARG A 72 -0.825 -2.774 -7.094 1.00 0.24 N ATOM 1055 CA ARG A 72 0.422 -3.171 -7.757 1.00 0.28 C ATOM 1056 C ARG A 72 1.332 -1.953 -7.986 1.00 0.27 C ATOM 1057 O ARG A 72 2.549 -2.026 -7.791 1.00 0.32 O ATOM 1058 CB ARG A 72 0.139 -3.872 -9.084 1.00 0.40 C ATOM 1059 CG ARG A 72 1.383 -4.430 -9.765 1.00 0.70 C ATOM 1060 CD ARG A 72 1.056 -5.015 -11.125 1.00 0.74 C ATOM 1061 NE ARG A 72 0.123 -6.150 -11.040 1.00 1.18 N ATOM 1062 CZ ARG A 72 -1.035 -6.237 -11.727 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -1.494 -5.185 -12.404 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -1.760 -7.348 -11.672 1.00 2.72 N ATOM 0 H ARG A 72 -1.669 -3.071 -7.583 1.00 0.24 H new ATOM 0 HA ARG A 72 0.937 -3.872 -7.100 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.565 -4.686 -8.911 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.348 -3.168 -9.759 1.00 0.40 H new ATOM 0 HG2 ARG A 72 2.124 -3.638 -9.877 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.830 -5.199 -9.135 1.00 0.70 H new ATOM 0 HD2 ARG A 72 0.623 -4.239 -11.756 1.00 0.74 H new ATOM 0 HD3 ARG A 72 1.977 -5.341 -11.608 1.00 0.74 H new ATOM 0 HE ARG A 72 0.368 -6.922 -10.420 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -0.970 -4.310 -12.404 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -2.370 -5.255 -12.922 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -1.442 -8.137 -11.110 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -2.635 -7.412 -12.192 1.00 2.72 H new ATOM 1078 N GLU A 73 0.729 -0.837 -8.388 1.00 0.24 N ATOM 1079 CA GLU A 73 1.468 0.394 -8.642 1.00 0.26 C ATOM 1080 C GLU A 73 2.075 0.933 -7.354 1.00 0.25 C ATOM 1081 O GLU A 73 3.252 1.299 -7.317 1.00 0.32 O ATOM 1082 CB GLU A 73 0.572 1.448 -9.307 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.003 1.009 -10.643 1.00 0.50 C ATOM 1084 CD GLU A 73 1.054 0.515 -11.599 1.00 1.41 C ATOM 1085 OE1 GLU A 73 1.647 1.342 -12.314 1.00 1.82 O ATOM 1086 OE2 GLU A 73 1.311 -0.710 -11.655 1.00 2.21 O ATOM 0 H GLU A 73 -0.276 -0.761 -8.545 1.00 0.24 H new ATOM 0 HA GLU A 73 2.280 0.163 -9.331 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.248 1.693 -8.632 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.148 2.362 -9.453 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -0.734 0.218 -10.477 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -0.535 1.845 -11.097 1.00 0.50 H new ATOM 1093 N LEU A 74 1.284 0.901 -6.290 1.00 0.23 N ATOM 1094 CA LEU A 74 1.698 1.402 -4.987 1.00 0.26 C ATOM 1095 C LEU A 74 2.788 0.478 -4.416 1.00 0.25 C ATOM 1096 O LEU A 74 3.790 0.944 -3.877 1.00 0.28 O ATOM 1097 CB LEU A 74 0.437 1.506 -4.057 1.00 0.28 C ATOM 1098 CG LEU A 74 0.556 2.219 -2.670 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.327 1.400 -1.644 1.00 1.01 C ATOM 1100 CD2 LEU A 74 1.177 3.602 -2.821 1.00 1.11 C ATOM 0 H LEU A 74 0.336 0.526 -6.306 1.00 0.23 H new ATOM 0 HA LEU A 74 2.129 2.400 -5.065 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.343 2.018 -4.621 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.083 0.492 -3.873 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.461 2.323 -2.291 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.375 1.948 -0.703 1.00 1.01 H new ATOM 0 HD12 LEU A 74 0.821 0.448 -1.484 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.337 1.217 -2.009 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.249 4.077 -1.843 1.00 1.11 H new ATOM 0 HD22 LEU A 74 2.173 3.508 -3.253 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.554 4.211 -3.475 1.00 1.11 H new ATOM 1112 N LEU A 75 2.588 -0.823 -4.572 1.00 0.24 N ATOM 1113 CA LEU A 75 3.548 -1.829 -4.137 1.00 0.28 C ATOM 1114 C LEU A 75 4.901 -1.615 -4.810 1.00 0.28 C ATOM 1115 O LEU A 75 5.951 -1.633 -4.144 1.00 0.30 O ATOM 1116 CB LEU A 75 3.032 -3.241 -4.440 1.00 0.32 C ATOM 1117 CG LEU A 75 3.921 -4.393 -3.961 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.048 -4.376 -2.444 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.375 -5.728 -4.442 1.00 0.48 C ATOM 0 H LEU A 75 1.751 -1.213 -5.006 1.00 0.24 H new ATOM 0 HA LEU A 75 3.673 -1.725 -3.059 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.048 -3.353 -3.985 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.897 -3.335 -5.518 1.00 0.32 H new ATOM 0 HG LEU A 75 4.915 -4.260 -4.388 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.683 -5.202 -2.123 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.491 -3.432 -2.127 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.060 -4.482 -1.995 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.021 -6.533 -4.091 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.369 -5.873 -4.049 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.343 -5.737 -5.532 1.00 0.48 H new ATOM 1131 N ASP A 76 4.874 -1.378 -6.122 1.00 0.28 N ATOM 1132 CA ASP A 76 6.106 -1.170 -6.893 1.00 0.33 C ATOM 1133 C ASP A 76 6.811 0.106 -6.467 1.00 0.30 C ATOM 1134 O ASP A 76 8.029 0.184 -6.515 1.00 0.32 O ATOM 1135 CB ASP A 76 5.856 -1.164 -8.407 1.00 0.43 C ATOM 1136 CG ASP A 76 7.150 -1.040 -9.210 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.806 -2.080 -9.483 1.00 0.72 O ATOM 1138 OD2 ASP A 76 7.537 0.088 -9.578 1.00 0.68 O ATOM 0 H ASP A 76 4.018 -1.325 -6.674 1.00 0.28 H new ATOM 0 HA ASP A 76 6.755 -2.018 -6.675 1.00 0.33 H new ATOM 0 HB2 ASP A 76 5.342 -2.082 -8.691 1.00 0.43 H new ATOM 0 HB3 ASP A 76 5.194 -0.336 -8.660 1.00 0.43 H new ATOM 1143 N LEU A 77 6.042 1.097 -6.015 1.00 0.29 N ATOM 1144 CA LEU A 77 6.617 2.350 -5.502 1.00 0.30 C ATOM 1145 C LEU A 77 7.500 2.053 -4.292 1.00 0.28 C ATOM 1146 O LEU A 77 8.602 2.594 -4.151 1.00 0.35 O ATOM 1147 CB LEU A 77 5.513 3.343 -5.096 1.00 0.35 C ATOM 1148 CG LEU A 77 4.606 3.868 -6.206 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.507 4.737 -5.613 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.409 4.660 -7.227 1.00 0.45 C ATOM 0 H LEU A 77 5.023 1.061 -5.992 1.00 0.29 H new ATOM 0 HA LEU A 77 7.212 2.801 -6.296 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.885 2.862 -4.346 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.988 4.198 -4.615 1.00 0.35 H new ATOM 0 HG LEU A 77 4.151 3.017 -6.713 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.865 5.107 -6.412 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.914 4.147 -4.915 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.954 5.580 -5.087 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.744 5.025 -8.009 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.889 5.506 -6.735 1.00 0.45 H new ATOM 0 HD23 LEU A 77 6.170 4.017 -7.669 1.00 0.45 H new ATOM 1162 N ILE A 78 7.020 1.155 -3.451 1.00 0.27 N ATOM 1163 CA ILE A 78 7.739 0.742 -2.258 1.00 0.29 C ATOM 1164 C ILE A 78 8.935 -0.114 -2.673 1.00 0.30 C ATOM 1165 O ILE A 78 10.061 0.123 -2.233 1.00 0.31 O ATOM 1166 CB ILE A 78 6.842 -0.103 -1.323 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.483 0.576 -1.084 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.554 -0.324 0.006 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.563 1.930 -0.413 1.00 0.38 C ATOM 0 H ILE A 78 6.120 0.691 -3.575 1.00 0.27 H new ATOM 0 HA ILE A 78 8.057 1.638 -1.726 1.00 0.29 H new ATOM 0 HB ILE A 78 6.656 -1.063 -1.805 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.975 0.690 -2.042 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.866 -0.082 -0.472 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.921 -0.919 0.663 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.493 -0.850 -0.167 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.758 0.639 0.474 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.558 2.333 -0.285 1.00 0.38 H new ATOM 0 HD12 ILE A 78 6.039 1.825 0.562 1.00 0.38 H new ATOM 0 HD13 ILE A 78 6.150 2.609 -1.032 1.00 0.38 H new ATOM 1181 N ASN A 79 8.663 -1.120 -3.524 1.00 0.34 N ATOM 1182 CA ASN A 79 9.706 -2.041 -4.043 1.00 0.41 C ATOM 1183 C ASN A 79 10.849 -1.262 -4.652 1.00 0.38 C ATOM 1184 O ASN A 79 12.016 -1.459 -4.289 1.00 0.42 O ATOM 1185 CB ASN A 79 9.150 -3.013 -5.119 1.00 0.53 C ATOM 1186 CG ASN A 79 8.347 -4.208 -4.596 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.340 -5.271 -5.215 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.660 -4.062 -3.494 1.00 0.63 N ATOM 0 H ASN A 79 7.726 -1.321 -3.872 1.00 0.34 H new ATOM 0 HA ASN A 79 10.054 -2.624 -3.190 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.516 -2.445 -5.800 1.00 0.53 H new ATOM 0 HB3 ASN A 79 9.987 -3.392 -5.705 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.105 -4.838 -3.133 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.679 -3.172 -2.995 1.00 0.63 H new ATOM 1195 N GLY A 80 10.496 -0.345 -5.533 1.00 0.38 N ATOM 1196 CA GLY A 80 11.452 0.469 -6.221 1.00 0.42 C ATOM 1197 C GLY A 80 12.247 1.342 -5.296 1.00 0.38 C ATOM 1198 O GLY A 80 13.410 1.574 -5.539 1.00 0.46 O ATOM 0 H GLY A 80 9.527 -0.151 -5.786 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.132 -0.173 -6.781 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.933 1.095 -6.947 1.00 0.42 H new ATOM 1202 N ALA A 81 11.631 1.816 -4.231 1.00 0.31 N ATOM 1203 CA ALA A 81 12.315 2.666 -3.272 1.00 0.32 C ATOM 1204 C ALA A 81 13.330 1.862 -2.462 1.00 0.33 C ATOM 1205 O ALA A 81 14.469 2.288 -2.289 1.00 0.45 O ATOM 1206 CB ALA A 81 11.319 3.363 -2.357 1.00 0.33 C ATOM 0 H ALA A 81 10.654 1.627 -4.006 1.00 0.31 H new ATOM 0 HA ALA A 81 12.856 3.433 -3.826 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.856 3.993 -1.648 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.646 3.979 -2.954 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.741 2.616 -1.813 1.00 0.33 H new ATOM 1212 N LEU A 82 12.909 0.690 -2.002 1.00 0.29 N ATOM 1213 CA LEU A 82 13.759 -0.212 -1.220 1.00 0.36 C ATOM 1214 C LEU A 82 14.936 -0.718 -2.043 1.00 0.46 C ATOM 1215 O LEU A 82 16.077 -0.688 -1.588 1.00 0.61 O ATOM 1216 CB LEU A 82 12.930 -1.379 -0.667 1.00 0.42 C ATOM 1217 CG LEU A 82 11.980 -1.032 0.485 1.00 0.55 C ATOM 1218 CD1 LEU A 82 10.986 -2.153 0.730 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.780 -0.776 1.751 1.00 0.67 C ATOM 0 H LEU A 82 11.966 0.333 -2.159 1.00 0.29 H new ATOM 0 HA LEU A 82 14.168 0.350 -0.380 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.343 -1.802 -1.482 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.613 -2.158 -0.328 1.00 0.42 H new ATOM 0 HG LEU A 82 11.426 -0.134 0.211 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.325 -1.880 1.552 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.395 -2.319 -0.171 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.523 -3.067 0.985 1.00 0.74 H new ATOM 0 HD21 LEU A 82 12.101 -0.530 2.567 1.00 0.67 H new ATOM 0 HD22 LEU A 82 13.348 -1.670 2.009 1.00 0.67 H new ATOM 0 HD23 LEU A 82 13.466 0.055 1.586 1.00 0.67 H new ATOM 1231 N ALA A 83 14.653 -1.205 -3.241 1.00 0.54 N ATOM 1232 CA ALA A 83 15.698 -1.641 -4.163 1.00 0.69 C ATOM 1233 C ALA A 83 16.526 -0.459 -4.623 1.00 0.73 C ATOM 1234 O ALA A 83 17.721 -0.583 -4.920 1.00 0.84 O ATOM 1235 CB ALA A 83 15.088 -2.306 -5.372 1.00 0.88 C ATOM 0 H ALA A 83 13.705 -1.310 -3.602 1.00 0.54 H new ATOM 0 HA ALA A 83 16.336 -2.351 -3.636 1.00 0.69 H new ATOM 0 HB1 ALA A 83 15.880 -2.625 -6.050 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.509 -3.174 -5.056 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.434 -1.600 -5.885 1.00 0.88 H new